#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwg n GLY 5 N 0.00 4.74 0.29 0.55 0.00 -1.26 -4.88 105.19 104.63 1rwg n GLY 5 Ca 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 44.15 1rwg n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg h ALA 6 N 0.40 1.11 -0.36 4.61 0.00 -2.01 -1.04 119.26 121.98 1rwg h ALA 6 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1rwg h ALA 6 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1rwg h ALA 6 CO 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.91 1rwg h ALA 7 N 1.46 0.68 -0.46 0.00 0.00 -1.99 -0.75 119.26 118.20 1rwg h ALA 7 Ca 0.39 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1rwg h ALA 7 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1rwg h ALA 7 CO -0.27 0.67 -0.03 0.93 0.00 0.00 0.00 179.25 180.56 1rwg h GLU 8 N 0.69 0.84 -0.52 0.00 3.07 -1.80 -0.54 114.58 116.32 1rwg h GLU 8 Ca 0.06 -0.28 -0.12 0.00 -0.50 0.00 0.00 59.36 58.52 1rwg h GLU 8 Cb 0.93 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1rwg h GLU 8 CO 0.09 0.90 -0.15 0.74 -1.40 0.00 0.00 179.01 179.19 1rwg h PHE 9 N 0.68 1.15 -0.77 4.33 -1.00 -1.04 -1.13 116.94 119.16 1rwg h PHE 9 Ca 0.13 -0.25 -0.06 0.00 2.81 0.00 0.00 57.97 60.60 1rwg h PHE 9 Cb 0.54 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 1rwg h PHE 9 CO 0.04 1.07 0.27 0.00 -1.61 0.00 0.00 178.31 178.08 1rwg h ALA 10 N 0.93 1.01 -0.52 2.45 0.00 -0.96 0.16 119.26 122.31 1rwg h ALA 10 Ca 0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1rwg h ALA 10 Cb 0.72 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rwg h ALA 10 CO 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 1rwg h ALA 11 N 1.14 0.71 -0.45 0.00 0.00 -0.86 -0.47 119.26 119.32 1rwg h ALA 11 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rwg h ALA 11 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rwg h ALA 11 CO -0.01 0.53 0.19 -0.07 0.00 0.00 0.00 179.25 179.89 1rwg h LEU 12 N 0.80 0.62 -0.49 0.00 3.38 -0.91 -0.26 115.31 118.45 1rwg h LEU 12 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rwg h LEU 12 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1rwg h LEU 12 CO 0.03 0.60 0.28 0.03 0.09 0.00 0.00 178.44 179.47 1rwg h ARG 13 N 0.59 0.67 -0.82 1.13 3.08 -0.83 -1.09 114.38 117.10 1rwg h ARG 13 Ca 0.15 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1rwg h ARG 13 Cb 0.17 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1rwg h ARG 13 CO -0.01 0.51 0.42 -0.91 -1.07 0.00 0.00 179.97 178.90 1rwg h ASN 14 N 0.64 1.04 -0.82 7.04 2.35 -0.77 -0.59 115.58 124.48 1rwg h ASN 14 Ca 0.17 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1rwg h ASN 14 Cb 0.02 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1rwg h ASN 14 CO -0.03 0.86 0.36 -0.09 -1.65 0.00 0.00 177.43 176.88 1rwg h ARG 15 N 1.16 1.20 -0.19 0.81 2.43 -0.76 0.45 114.38 119.47 1rwg h ARG 15 Ca 0.29 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1rwg h ARG 15 Cb 0.07 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1rwg h ARG 15 CO -0.04 0.95 0.02 2.35 -1.51 0.00 0.00 179.97 181.73 1rwg h TRP 16 N 1.17 0.35 -0.81 2.20 2.91 -0.66 1.00 115.95 122.11 1rwg h TRP 16 Ca 0.28 -0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.29 1rwg h TRP 16 Cb 0.17 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 1rwg h TRP 16 CO 0.02 0.50 0.51 0.28 -1.03 0.00 0.00 178.44 178.71 1rwg h VAL 17 N 0.11 1.07 -0.77 2.65 2.07 -1.00 -0.36 116.25 120.02 1rwg h VAL 17 Ca 0.06 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1rwg h VAL 17 Cb 0.35 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1rwg h VAL 17 CO 0.01 0.17 0.49 0.44 0.02 0.00 0.00 177.57 178.70 1rwg h ASP 18 N 0.95 0.81 -0.34 0.57 3.32 -0.49 -0.98 116.42 120.26 1rwg h ASP 18 Ca 0.34 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1rwg h ASP 18 Cb 0.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1rwg h ASP 18 CO -0.15 0.56 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.23 1rwg h GLN 19 N 0.95 0.66 0.00 3.56 4.15 0.06 -0.18 115.11 124.31 1rwg h GLN 19 Ca 0.31 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1rwg h GLN 19 Cb 0.01 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1rwg h GLN 19 CO -0.11 0.84 -0.53 0.44 -1.93 0.00 0.00 178.83 177.53 1rwg n ILE 20 N -4.41 0.26 -0.05 2.39 -5.35 -0.23 -3.93 119.36 108.04 1rwg n ILE 20 Ca -0.02 -0.19 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 1rwg n ILE 20 Cb 0.34 -0.08 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 1rwg n ILE 20 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rwg n THR 21 N -1.94 0.65 -1.13 7.28 -2.24 -0.39 -4.73 114.28 111.79 1rwg n THR 21 Ca 0.04 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.19 1rwg n THR 21 Cb 0.41 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1rwg n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwg n GLY 22 N 1.73 0.69 0.26 3.38 0.00 -0.08 -4.41 105.19 106.76 1rwg n GLY 22 Ca -0.17 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.60 1rwg n GLY 22 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rwg h ARG 23 N 0.28 0.00 -0.01 1.61 0.11 -1.83 -0.94 114.38 113.61 1rwg h ARG 23 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1rwg h ARG 23 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1rwg h ARG 23 CO 0.13 0.10 -0.18 0.27 0.10 0.00 0.00 179.97 180.40 1rwg n ASN 24 N -3.86 0.89 -0.11 0.08 6.94 -1.26 -4.39 115.26 113.55 1rwg n ASN 24 Ca -0.02 -0.86 0.02 0.00 -0.02 0.00 0.00 54.58 53.70 1rwg n ASN 24 Cb 0.20 0.05 0.03 0.00 -2.36 0.00 0.00 39.78 37.70 1rwg n ASN 24 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1rwg n VAL 25 N -0.66 0.77 -2.24 3.53 0.24 -0.36 -5.05 118.33 114.56 1rwg n VAL 25 Ca 0.14 -0.86 -0.42 0.00 -2.04 0.00 0.00 64.34 61.16 1rwg n VAL 25 Cb 0.32 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 1rwg n VAL 25 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rwg s ILE 26 N -1.00 3.57 -0.27 1.34 1.01 -1.18 -4.90 121.20 119.77 1rwg s ILE 26 Ca 0.08 1.10 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 1rwg s ILE 26 Cb 0.07 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1rwg s ILE 26 CO 0.01 0.07 0.38 -1.10 0.00 0.00 0.00 174.94 174.30 1rwg s GLN 27 N 1.34 4.00 0.21 2.79 -0.21 -1.26 -5.04 119.66 121.49 1rwg s GLN 27 Ca 0.63 0.05 -0.32 0.00 0.02 0.00 0.00 55.36 55.74 1rwg s GLN 27 Cb -0.34 -3.66 -0.12 0.00 1.00 0.00 0.00 33.01 29.89 1rwg s GLN 27 CO 0.29 -0.29 1.70 0.00 -2.12 0.00 0.00 175.29 174.87 1rwg n ALA 28 N 5.35 2.69 -0.96 6.09 0.00 -1.26 -1.77 120.51 130.66 1rwg n ALA 28 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1rwg n ALA 28 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1rwg n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwg n GLY 29 N 3.79 0.37 3.70 0.00 0.00 -1.26 -4.99 105.19 106.81 1rwg n GLY 29 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rwg n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwg s ASP 30 N -2.13 7.31 0.34 1.61 -1.08 -0.73 -4.94 116.67 117.06 1rwg s ASP 30 Ca 0.00 1.63 0.13 0.00 -0.52 0.00 0.00 52.55 53.79 1rwg s ASP 30 Cb 0.00 -2.57 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 1rwg s ASP 30 CO 0.00 -0.34 1.75 1.55 0.52 0.00 0.00 175.17 178.65 1rwg h PRO 31 N 6.92 0.00 -0.07 4.34 0.13 -1.94 -1.79 132.00 139.59 1rwg h PRO 31 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1rwg h PRO 31 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1rwg h PRO 31 CO 0.79 0.45 -0.91 -0.44 -0.23 0.00 0.00 178.00 177.66 1rwg h ASP 32 N 0.00 0.87 -1.01 1.44 3.32 -1.96 -1.26 116.42 117.82 1rwg h ASP 32 Ca -0.00 -0.64 0.01 0.00 0.02 0.00 0.00 57.03 56.42 1rwg h ASP 32 Cb 0.82 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1rwg h ASP 32 CO 0.06 1.44 0.67 -0.26 -1.72 0.00 0.00 179.24 179.42 1rwg h PHE 33 N 0.43 1.27 -0.54 4.55 -1.00 -1.85 -1.24 116.94 118.56 1rwg h PHE 33 Ca -0.09 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 1rwg h PHE 33 Cb 1.55 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 40.66 1rwg h PHE 33 CO 0.09 0.80 0.03 0.00 -1.61 0.00 0.00 178.31 177.62 1rwg h ALA 34 N 1.37 1.05 -0.36 2.45 0.00 -1.18 -1.65 119.26 120.93 1rwg h ALA 34 Ca 0.37 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1rwg h ALA 34 Cb -0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1rwg h ALA 34 CO -0.08 0.60 -0.15 0.87 0.00 0.00 0.00 179.25 180.50 1rwg h LYS 35 N 0.83 0.65 -0.60 0.00 1.57 -0.97 -0.76 116.57 117.29 1rwg h LYS 35 Ca 0.16 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1rwg h LYS 35 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1rwg h LYS 35 CO 0.02 0.77 0.03 0.00 -0.57 0.00 0.00 179.45 179.69 1rwg h ALA 36 N 1.26 0.91 -0.22 3.86 0.00 -0.80 -0.95 119.26 123.32 1rwg h ALA 36 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1rwg h ALA 36 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rwg h ALA 36 CO 0.04 0.65 -0.48 0.82 0.00 0.00 0.00 179.25 180.28 1rwg h ILE 37 N 0.95 1.31 -0.65 0.00 1.08 -1.03 -0.62 117.51 118.54 1rwg h ILE 37 Ca 0.18 -1.69 -0.00 0.00 -0.39 0.00 0.00 64.86 62.95 1rwg h ILE 37 Cb 0.51 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 1rwg h ILE 37 CO 0.02 0.53 0.39 0.74 -0.69 0.00 0.00 178.15 179.14 1rwg h THR 38 N 0.46 1.19 -0.55 -0.27 2.02 -0.78 0.43 112.91 115.41 1rwg h THR 38 Ca 0.02 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1rwg h THR 38 Cb 1.01 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1rwg h THR 38 CO 0.09 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 176.16 1rwg h ALA 39 N 1.20 0.75 -0.40 6.16 0.00 -0.87 0.80 119.26 126.89 1rwg h ALA 39 Ca 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1rwg h ALA 39 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1rwg h ALA 39 CO -0.04 0.60 0.24 1.25 0.00 0.00 0.00 179.25 181.29 1rwg h LEU 40 N 0.88 0.39 -0.68 0.00 5.85 -0.71 -2.00 115.31 119.03 1rwg h LEU 40 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1rwg h LEU 40 Cb 0.57 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1rwg h LEU 40 CO 0.03 0.28 0.38 0.78 -0.34 0.00 0.00 178.44 179.57 1rwg h ASN 41 N 0.48 0.84 -0.39 1.25 2.35 0.36 -1.75 115.58 118.72 1rwg h ASN 41 Ca 0.16 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1rwg h ASN 41 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1rwg h ASN 41 CO -0.07 0.69 -0.14 0.78 -1.65 0.00 0.00 177.43 177.04 1rwg h ASN 42 N 0.92 0.86 -0.43 5.81 2.35 -0.58 -0.23 115.58 124.28 1rwg h ASN 42 Ca 0.24 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1rwg h ASN 42 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1rwg h ASN 42 CO -0.04 1.00 -0.01 0.50 -1.65 0.00 0.00 177.43 177.23 1rwg h LYS 43 N 0.77 0.77 -0.53 0.81 1.63 -1.23 -0.71 116.57 118.07 1rwg h LYS 43 Ca 0.12 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1rwg h LYS 43 Cb 0.66 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1rwg h LYS 43 CO 0.05 0.85 0.23 0.00 -3.45 0.00 0.00 179.45 177.13 1rwg h ALA 44 N 0.90 0.69 -0.70 5.00 0.00 -1.11 -1.48 119.26 122.56 1rwg h ALA 44 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1rwg h ALA 44 Cb 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1rwg h ALA 44 CO 0.02 0.28 0.26 0.00 0.00 0.00 0.00 179.25 179.81 1rwg h ALA 45 N 1.07 1.15 -0.52 0.00 0.00 -0.90 -1.01 119.26 119.05 1rwg h ALA 45 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rwg h ALA 45 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1rwg h ALA 45 CO -0.02 0.61 0.29 0.22 0.00 0.00 0.00 179.25 180.35 1rwg h ASP 46 N 1.01 0.65 -0.60 0.00 1.82 -0.72 -1.66 116.42 116.91 1rwg h ASP 46 Ca 0.23 -0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1rwg h ASP 46 Cb 0.22 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 1rwg h ASP 46 CO -0.02 0.54 0.16 0.28 -1.61 0.00 0.00 179.24 178.60 1rwg h SER 47 N 0.70 0.90 -0.19 2.28 0.02 -0.87 -3.01 113.55 113.38 1rwg h SER 47 Ca 0.18 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1rwg h SER 47 Cb 0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1rwg h SER 47 CO -0.03 0.89 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.43 1rwg h LEU 48 N 0.87 0.48 -2.37 5.07 3.38 -0.98 -1.06 115.31 120.70 1rwg h LEU 48 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rwg h LEU 48 Cb 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rwg h LEU 48 CO -0.00 0.59 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 1rwg h ALA 49 N 1.47 1.32 -0.31 1.53 0.00 -1.18 -2.26 119.26 119.84 1rwg h ALA 49 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rwg h ALA 49 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rwg h ALA 49 CO 0.02 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1rwg n LYS 50 N -3.59 2.39 -1.74 0.00 5.02 -0.43 -4.97 118.16 114.84 1rwg n LYS 50 Ca -0.02 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 1rwg n LYS 50 Cb 0.13 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1rwg n LYS 50 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rwg n LEU 51 N 1.39 4.19 -4.62 -0.35 4.77 -0.85 -0.12 117.00 121.42 1rwg n LEU 51 Ca 0.17 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.88 1rwg n LEU 51 Cb 0.58 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1rwg n LEU 51 CO 0.15 0.05 1.03 -0.62 -1.33 0.00 0.00 177.39 176.67 1rwg s ASP 52 N 0.41 6.72 0.00 -1.43 3.68 0.14 -4.63 116.67 121.56 1rwg s ASP 52 Ca 0.64 0.77 0.24 0.00 2.13 0.00 0.00 52.55 56.32 1rwg s ASP 52 Cb -0.52 -2.55 0.19 0.00 -1.45 0.00 0.00 42.92 38.60 1rwg s ASP 52 CO 0.50 -1.12 1.26 0.00 0.13 0.00 0.00 175.17 175.93 1rwg n ALA 53 N 7.57 2.55 -1.78 3.66 0.00 -1.26 -4.91 120.51 126.33 1rwg n ALA 53 Ca 0.13 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 1rwg n ALA 53 Cb 0.48 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1rwg n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rwg s ALA 54 N -2.04 3.58 0.35 0.00 0.00 -1.26 -4.98 121.76 117.41 1rwg s ALA 54 Ca 0.27 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.43 1rwg s ALA 54 Cb 0.20 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 1rwg s ALA 54 CO 0.32 -0.93 1.42 0.00 0.00 0.00 0.00 175.76 176.57 1rwg s ALA 55 N -0.94 3.55 -1.43 0.00 0.00 -1.26 -2.82 121.76 118.87 1rwg s ALA 55 Ca 0.53 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 53.88 1rwg s ALA 55 Cb -0.45 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.12 1rwg s ALA 55 CO 0.58 -0.88 0.67 0.41 0.00 0.00 0.00 175.76 176.54 1rwg n GLY 56 N 0.76 -0.45 3.75 0.00 0.00 -1.26 -4.94 105.19 103.04 1rwg n GLY 56 Ca 0.01 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1rwg n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rwg s ARG 57 N -5.73 2.91 0.00 1.61 1.70 -1.13 -4.94 118.95 113.36 1rwg s ARG 57 Ca 0.33 2.01 0.07 0.00 -0.47 0.00 0.00 55.73 57.67 1rwg s ARG 57 Cb -0.15 -2.00 0.09 0.00 -0.57 0.00 0.00 34.95 32.32 1rwg s ARG 57 CO 0.41 -1.30 0.85 0.25 -1.08 0.00 0.00 175.30 174.42 1rwg n THR 58 N -1.50 0.29 -4.17 4.99 -2.24 -1.26 -4.99 114.28 105.40 1rwg n THR 58 Ca 0.13 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 1rwg n THR 58 Cb 0.48 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1rwg n THR 58 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rwg s SER 59 N -0.70 0.60 -0.15 3.42 1.04 -1.26 -4.65 113.70 111.99 1rwg s SER 59 Ca 0.10 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 1rwg s SER 59 Cb 0.06 0.23 -0.24 0.00 0.10 0.00 0.00 66.02 66.18 1rwg s SER 59 CO 0.09 -0.66 0.24 0.52 0.98 0.00 0.00 173.24 174.40 1rwg n VAL 60 N -0.10 1.69 -4.91 5.02 0.31 -1.26 -4.73 118.33 114.34 1rwg n VAL 60 Ca -0.07 -0.65 -0.33 0.00 -0.01 0.00 0.00 64.34 63.28 1rwg n VAL 60 Cb 0.63 -1.57 -0.14 0.00 -0.91 0.00 0.00 33.84 31.85 1rwg n VAL 60 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1rwg s PHE 61 N -2.55 2.69 0.12 3.52 0.40 -1.26 -0.68 117.98 120.22 1rwg s PHE 61 Ca -0.24 -0.33 0.33 0.00 -0.60 0.00 0.00 56.93 56.09 1rwg s PHE 61 Cb 0.07 -1.67 1.59 0.00 0.51 0.00 0.00 43.02 43.52 1rwg s PHE 61 CO 0.73 0.05 2.00 1.79 0.70 0.00 0.00 175.22 180.50 1rwg h THR 62 N 4.66 0.00 -0.52 0.64 1.35 -0.78 -2.19 112.91 116.07 1rwg h THR 62 Ca -0.40 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1rwg h THR 62 Cb 1.17 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1rwg h THR 62 CO 0.51 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 1rwg n ASP 63 N -2.81 3.83 -3.82 5.36 5.75 -1.26 -4.90 116.55 118.71 1rwg n ASP 63 Ca -0.01 -2.26 -0.27 0.00 -0.01 0.00 0.00 54.79 52.25 1rwg n ASP 63 Cb 0.18 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.67 1rwg n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rwg s LEU 64 N -1.47 1.34 -0.07 -2.12 1.43 -0.82 -5.10 118.68 111.85 1rwg s LEU 64 Ca 0.40 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.59 1rwg s LEU 64 Cb 0.24 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1rwg s LEU 64 CO 0.22 -0.23 0.84 -0.55 0.23 0.00 0.00 176.35 176.86 1rwg s SER 65 N 1.76 7.12 0.25 2.29 0.15 -1.26 -4.50 113.70 119.51 1rwg s SER 65 Ca 0.00 1.36 0.23 0.00 0.70 0.00 0.00 55.95 58.24 1rwg s SER 65 Cb -0.16 -2.48 0.97 0.00 -1.71 0.00 0.00 66.02 62.65 1rwg s SER 65 CO -0.07 -0.25 1.69 0.18 1.20 0.00 0.00 173.24 175.98 1rwg n LEU 66 N 4.26 0.62 -0.05 3.45 4.77 -1.26 -2.02 117.00 126.76 1rwg n LEU 66 Ca 0.03 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.83 1rwg n LEU 66 Cb 0.50 -0.60 0.72 0.00 -2.33 0.00 0.00 43.42 41.71 1rwg n LEU 66 CO 0.49 -0.59 0.97 0.00 -1.33 0.00 0.00 177.39 176.93 1rwg n ALA 67 N -1.76 2.62 -3.52 -1.18 0.00 -1.26 -4.69 120.51 110.72 1rwg n ALA 67 Ca 0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1rwg n ALA 67 Cb 0.20 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 1rwg n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rwg s LYS 68 N -2.46 3.08 0.42 0.00 1.02 -0.86 -5.01 119.74 115.92 1rwg s LYS 68 Ca 0.31 -0.83 0.09 0.00 0.02 0.00 0.00 55.97 55.56 1rwg s LYS 68 Cb 0.20 -3.08 0.89 0.00 -0.52 0.00 0.00 37.83 35.32 1rwg s LYS 68 CO 0.46 -0.34 2.03 0.38 -0.92 0.00 0.00 175.35 176.96 1rwg h ASP 69 N 8.10 0.36 0.14 2.83 3.04 -1.83 -0.48 116.42 128.57 1rwg h ASP 69 Ca -0.36 -0.02 -0.10 0.00 -3.24 0.00 0.00 57.03 53.32 1rwg h ASP 69 Cb 1.13 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.32 1rwg h ASP 69 CO 0.59 0.31 -0.34 0.00 -2.04 0.00 0.00 179.24 177.77 1rwg h ALA 70 N 1.75 1.17 0.00 4.15 0.00 -1.95 -1.92 119.26 122.45 1rwg h ALA 70 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1rwg h ALA 70 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rwg h ALA 70 CO -0.01 0.55 -0.68 0.93 0.00 0.00 0.00 179.25 180.03 1rwg h GLU 71 N 0.25 0.00 -0.25 0.00 5.08 -1.48 -1.64 114.58 116.55 1rwg h GLU 71 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1rwg h GLU 71 Cb 0.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1rwg h GLU 71 CO 0.05 0.68 0.11 1.98 -1.00 0.00 0.00 179.01 180.83 1rwg h MET 72 N 0.00 0.37 -0.25 2.33 4.05 -0.93 -0.48 114.93 120.02 1rwg h MET 72 Ca -0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1rwg h MET 72 Cb 1.36 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1rwg h MET 72 CO 0.09 0.39 0.14 0.28 0.23 0.00 0.00 176.91 178.04 1rwg h VAL 73 N 0.25 1.01 -0.46 -5.77 2.07 -1.12 -2.29 116.25 109.94 1rwg h VAL 73 Ca 0.08 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1rwg h VAL 73 Cb 0.16 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1rwg h VAL 73 CO -0.01 0.05 0.22 0.74 0.02 0.00 0.00 177.57 178.59 1rwg h THR 74 N 0.29 1.16 -0.26 2.57 2.02 -1.16 0.57 112.91 118.09 1rwg h THR 74 Ca 0.10 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.90 1rwg h THR 74 Cb 0.01 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1rwg h THR 74 CO -0.06 0.18 -0.15 0.74 0.37 0.00 0.00 175.52 176.60 1rwg h THR 75 N 0.64 0.55 -0.14 3.16 2.02 -0.68 0.10 112.91 118.56 1rwg h THR 75 Ca 0.16 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.16 1rwg h THR 75 Cb 0.07 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1rwg h THR 75 CO -0.02 0.00 -0.65 1.88 0.37 0.00 0.00 175.52 177.09 1rwg h TYR 76 N -0.13 0.69 -0.09 3.16 -1.99 -0.63 -2.03 116.97 115.95 1rwg h TYR 76 Ca 0.14 -0.28 -0.11 0.00 2.00 0.00 0.00 58.73 60.49 1rwg h TYR 76 Cb 0.34 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1rwg h TYR 76 CO -0.33 1.03 -0.43 1.79 -0.00 0.00 0.00 178.16 180.22 1rwg h THR 77 N 0.38 1.32 -0.66 -2.88 1.35 -0.75 -0.54 112.91 111.12 1rwg h THR 77 Ca -0.02 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.22 1rwg h THR 77 Cb 1.22 1.72 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 1rwg h THR 77 CO 0.12 0.46 0.14 0.03 -0.25 0.00 0.00 175.52 176.02 1rwg h ARG 78 N 0.18 1.05 -0.52 4.72 3.08 -0.86 -0.43 114.38 121.60 1rwg h ARG 78 Ca 0.01 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 1rwg h ARG 78 Cb 0.83 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1rwg h ARG 78 CO 0.07 0.94 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.79 1rwg h LEU 79 N 1.00 0.95 -0.94 3.04 3.38 -0.87 -0.28 115.31 121.57 1rwg h LEU 79 Ca 0.21 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1rwg h LEU 79 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1rwg h LEU 79 CO 0.00 1.05 -0.35 0.77 0.09 0.00 0.00 178.44 180.00 1rwg h SER 80 N 0.82 0.34 -0.50 -0.43 4.64 -0.99 -0.67 113.55 116.76 1rwg h SER 80 Ca 0.14 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1rwg h SER 80 Cb 0.59 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1rwg h SER 80 CO 0.04 0.68 0.07 -0.61 -0.87 0.00 0.00 176.83 176.13 1rwg h GLN 81 N 0.28 0.84 -0.71 4.77 -0.00 -0.89 0.54 115.11 119.95 1rwg h GLN 81 Ca 0.03 -0.23 -0.05 0.00 -0.00 0.00 0.00 58.65 58.40 1rwg h GLN 81 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.12 1rwg h GLN 81 CO 0.06 0.84 0.26 -0.07 0.00 0.00 0.00 178.83 179.93 1rwg h LEU 82 N 0.72 1.00 -1.15 -2.39 3.38 -0.75 -0.53 115.31 115.59 1rwg h LEU 82 Ca 0.15 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1rwg h LEU 82 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1rwg h LEU 82 CO 0.01 0.91 -0.07 0.00 0.09 0.00 0.00 178.44 179.38 1rwg h ALA 83 N 1.12 1.30 -0.20 1.53 0.00 -0.91 -0.17 119.26 121.94 1rwg h ALA 83 Ca 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rwg h ALA 83 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rwg h ALA 83 CO -0.02 0.47 0.11 1.15 0.00 0.00 0.00 179.25 180.96 1rwg h THR 84 N 0.48 1.11 -0.45 0.00 2.02 -0.21 -1.96 112.91 113.89 1rwg h THR 84 Ca 0.10 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1rwg h THR 84 Cb 0.42 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1rwg h THR 84 CO 0.02 0.10 0.28 0.00 0.37 0.00 0.00 175.52 176.29 1rwg h ALA 85 N 1.00 0.58 -0.04 6.16 0.00 -0.76 -1.91 119.26 124.28 1rwg h ALA 85 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rwg h ALA 85 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rwg h ALA 85 CO -0.01 0.06 0.03 2.35 0.00 0.00 0.00 179.25 181.68 1rwg h TRP 86 N 0.60 0.00 -0.17 0.00 7.01 -0.85 -1.97 115.95 120.58 1rwg h TRP 86 Ca 0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1rwg h TRP 86 Cb -0.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1rwg h TRP 86 CO -0.03 0.00 0.00 0.00 -2.79 0.00 0.00 178.44 175.62 1rwg n ALA 87 N -2.48 2.47 -2.81 2.65 0.00 -0.75 -0.98 120.51 118.60 1rwg n ALA 87 Ca -0.02 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 1rwg n ALA 87 Cb 0.13 -0.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 1rwg n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rwg s THR 88 N -1.80 4.64 0.28 0.00 2.01 -0.74 -4.88 115.64 115.16 1rwg s THR 88 Ca 0.34 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1rwg s THR 88 Cb 0.21 -3.50 -0.14 0.00 0.01 0.00 0.00 72.50 69.08 1rwg s THR 88 CO 0.31 -0.12 1.19 -2.65 -0.69 0.00 0.00 174.62 172.66 1rwg n PRO 89 N 5.00 1.70 -0.30 4.92 -0.02 -1.26 -1.45 135.00 143.59 1rwg n PRO 89 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1rwg n PRO 89 Cb 0.47 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1rwg n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rwg n THR 90 N 0.71 0.00 -1.82 3.45 -2.24 -1.26 -5.02 114.28 108.10 1rwg n THR 90 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 1rwg n THR 90 Cb 0.32 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1rwg n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwg s ALA 91 N -2.79 2.41 0.36 6.98 0.00 -0.53 -4.90 121.76 123.29 1rwg s ALA 91 Ca 0.00 0.93 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1rwg s ALA 91 Cb 0.00 -3.45 0.76 0.00 0.00 0.00 0.00 23.12 20.44 1rwg s ALA 91 CO 0.00 -1.39 1.93 0.00 0.00 0.00 0.00 175.76 176.31 1rwg h ALA 92 N 0.46 1.74 -0.67 0.00 0.00 -1.89 -1.55 119.26 117.35 1rwg h ALA 92 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rwg h ALA 92 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rwg h ALA 92 CO 0.53 0.11 0.00 1.33 0.00 0.00 0.00 179.25 181.22 1rwg n VAL 93 N -4.50 1.75 -1.69 0.00 0.24 -1.26 -4.91 118.33 107.96 1rwg n VAL 93 Ca 0.13 -1.18 -0.42 0.00 -2.04 0.00 0.00 64.34 60.83 1rwg n VAL 93 Cb 0.30 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 1rwg n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1rwg n PHE 94 N 1.22 2.64 -1.24 6.34 7.35 -0.59 -1.11 117.46 132.07 1rwg n PHE 94 Ca 0.26 -0.16 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 1rwg n PHE 94 Cb 0.87 -2.74 -0.04 0.00 0.35 0.00 0.00 39.48 37.93 1rwg n PHE 94 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rwg n GLY 95 N 4.25 0.87 3.63 7.13 0.00 -0.15 -4.93 105.19 115.98 1rwg n GLY 95 Ca 0.18 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1rwg n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwg s ASP 96 N -2.40 6.68 0.39 1.61 -1.08 -0.26 -4.91 116.67 116.70 1rwg s ASP 96 Ca 0.00 1.12 0.11 0.00 -0.52 0.00 0.00 52.55 53.26 1rwg s ASP 96 Cb 0.00 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.72 1rwg s ASP 96 CO 0.00 -1.09 1.91 0.00 0.52 0.00 0.00 175.17 176.51 1rwg h ALA 97 N 9.22 1.51 -0.26 3.66 0.00 -1.91 -0.07 119.26 131.40 1rwg h ALA 97 Ca -0.25 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1rwg h ALA 97 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rwg h ALA 97 CO 1.04 0.36 -0.58 0.00 0.00 0.00 0.00 179.25 180.07 1rwg h ALA 98 N 1.67 0.42 -0.32 0.00 0.00 -1.98 -0.17 119.26 118.88 1rwg h ALA 98 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1rwg h ALA 98 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rwg h ALA 98 CO 0.03 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.32 1rwg h VAL 99 N 0.62 1.20 -0.47 0.00 2.07 -1.85 -1.84 116.25 115.98 1rwg h VAL 99 Ca 0.00 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1rwg h VAL 99 Cb 1.19 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1rwg h VAL 99 CO 0.13 0.22 0.06 0.25 0.02 0.00 0.00 177.57 178.25 1rwg h LEU 100 N 0.36 -0.06 -1.02 2.57 5.85 -0.89 -0.57 115.31 121.54 1rwg h LEU 100 Ca 0.10 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1rwg h LEU 100 Cb 0.24 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1rwg h LEU 100 CO -0.00 -0.00 0.66 0.00 -0.34 0.00 0.00 178.44 178.76 1rwg h ALA 101 N 1.38 1.32 -0.53 1.25 0.00 -0.75 -0.91 119.26 121.02 1rwg h ALA 101 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rwg h ALA 101 Cb 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rwg h ALA 101 CO -0.33 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 1rwg h ALA 102 N 1.40 0.87 -0.16 0.00 0.00 -0.67 -0.50 119.26 120.20 1rwg h ALA 102 Ca 0.39 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rwg h ALA 102 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1rwg h ALA 102 CO -0.11 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.71 1rwg h ILE 103 N 0.87 1.07 -0.70 0.00 2.04 -0.43 -1.36 117.51 119.01 1rwg h ILE 103 Ca 0.15 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1rwg h ILE 103 Cb 0.61 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1rwg h ILE 103 CO 0.04 0.07 0.32 0.11 0.00 0.00 0.00 178.15 178.69 1rwg h LYS 104 N 0.19 1.02 -0.44 2.37 1.57 -1.00 0.23 116.57 120.52 1rwg h LYS 104 Ca 0.06 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1rwg h LYS 104 Cb 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1rwg h LYS 104 CO -0.01 0.81 -0.02 0.00 -0.57 0.00 0.00 179.45 179.66 1rwg h ALA 105 N 1.15 1.15 -0.32 3.86 0.00 -1.01 0.02 119.26 124.11 1rwg h ALA 105 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rwg h ALA 105 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rwg h ALA 105 CO -0.03 0.55 0.15 0.78 0.00 0.00 0.00 179.25 180.70 1rwg h GLY 106 N 0.95 0.49 1.00 0.00 0.00 -0.60 0.72 103.07 105.63 1rwg h GLY 106 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1rwg h GLY 106 CO 0.02 0.24 0.16 1.41 0.00 0.00 0.00 176.54 178.37 1rwg h LEU 107 N 0.38 0.86 -0.10 3.11 3.38 -0.71 -0.11 115.31 122.11 1rwg h LEU 107 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1rwg h LEU 107 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1rwg h LEU 107 CO -0.01 0.85 0.05 0.00 0.09 0.00 0.00 178.44 179.42 1rwg h ALA 108 N 1.04 0.13 -0.14 1.53 0.00 -0.80 -2.02 119.26 119.00 1rwg h ALA 108 Ca 0.18 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1rwg h ALA 108 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rwg h ALA 108 CO -0.00 -0.33 -0.65 -0.44 0.00 0.00 0.00 179.25 177.83 1rwg h ASP 109 N 0.06 0.60 -0.43 0.00 3.32 -0.79 -0.40 116.42 118.79 1rwg h ASP 109 Ca 0.03 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1rwg h ASP 109 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1rwg h ASP 109 CO -0.01 1.09 0.18 0.00 -1.72 0.00 0.00 179.24 178.78 1rwg h ALA 110 N 0.91 1.41 0.17 3.45 0.00 -0.99 0.29 119.26 124.50 1rwg h ALA 110 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1rwg h ALA 110 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1rwg h ALA 110 CO 0.12 0.44 -0.08 -0.97 0.00 0.00 0.00 179.25 178.76 1rwg h ASN 111 N 0.69 -0.19 -0.45 0.00 -0.00 -1.00 -0.22 115.58 114.41 1rwg h ASN 111 Ca 0.17 -0.23 0.06 0.00 -0.00 0.00 0.00 56.30 56.29 1rwg h ASN 111 Cb 0.16 0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 1rwg h ASN 111 CO -0.01 0.13 0.16 0.74 -0.00 0.00 0.00 177.43 178.45 1rwg h THR 112 N -0.54 0.87 0.00 -3.57 2.02 -0.84 -3.16 112.91 107.69 1rwg h THR 112 Ca -0.02 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1rwg h THR 112 Cb 0.41 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1rwg h THR 112 CO 0.04 0.06 -0.65 -0.07 0.37 0.00 0.00 175.52 175.27 1rwg h LEU 113 N 0.34 0.00 0.00 2.58 3.38 -0.99 -3.46 115.31 117.16 1rwg h LEU 113 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1rwg h LEU 113 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rwg h LEU 113 CO -0.21 0.65 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1rwg s TYR 115 N -1.22 3.83 0.26 0.00 5.04 -0.18 -4.73 117.35 120.35 1rwg s TYR 115 Ca 0.00 -2.11 -0.03 0.00 -2.44 0.00 0.00 57.07 52.50 1rwg s TYR 115 Cb 0.00 -3.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.44 1rwg s TYR 115 CO 0.00 -1.01 0.31 0.54 -1.34 0.00 0.00 175.55 174.04 1rwg s ASN 116 N 2.07 0.51 0.00 4.32 2.20 -1.25 -4.32 114.94 118.47 1rwg s ASN 116 Ca 0.21 -1.37 0.17 0.00 -0.94 0.00 0.00 52.86 50.94 1rwg s ASN 116 Cb -0.10 0.52 1.01 0.00 -2.00 0.00 0.00 41.25 40.68 1rwg s ASN 116 CO -0.09 -1.04 1.50 -0.90 -2.94 0.00 0.00 177.10 173.63 1rwg n ASP 117 N -0.75 0.00 -0.69 3.54 5.75 -1.26 -2.31 116.55 120.84 1rwg n ASP 117 Ca 0.02 -1.00 0.07 0.00 -0.01 0.00 0.00 54.79 53.87 1rwg n ASP 117 Cb 0.64 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.84 1rwg n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1rwg n ARG 118 N -0.85 1.68 -3.47 0.11 1.74 -1.26 -4.96 116.66 109.66 1rwg n ARG 118 Ca 0.13 -1.68 -0.37 0.00 -0.77 0.00 0.00 57.85 55.15 1rwg n ARG 118 Cb 0.06 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1rwg n ARG 118 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rwg s LYS 119 N -1.16 4.27 0.26 5.56 2.47 -0.98 -5.06 119.74 125.11 1rwg s LYS 119 Ca 0.22 0.22 -0.29 0.00 -1.56 0.00 0.00 55.97 54.55 1rwg s LYS 119 Cb 0.14 -3.42 -0.09 0.00 -1.46 0.00 0.00 37.83 32.99 1rwg s LYS 119 CO 0.20 0.23 0.99 -2.00 0.16 0.00 0.00 175.35 174.92 1rwg s GLU 120 N 0.47 4.76 0.34 4.03 2.12 -1.26 -4.93 118.70 124.23 1rwg s GLU 120 Ca 0.20 1.57 -0.28 0.00 0.36 0.00 0.00 54.97 56.81 1rwg s GLU 120 Cb -0.14 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 30.93 1rwg s GLU 120 CO 0.06 0.40 1.36 0.39 -0.54 0.00 0.00 175.26 176.93 1rwg n GLU 121 N 1.29 2.28 -4.34 4.30 1.02 -1.26 -5.02 120.64 118.92 1rwg n GLU 121 Ca -0.01 0.80 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 1rwg n GLU 121 Cb 0.47 -2.43 -0.16 0.00 -0.02 0.00 0.00 31.44 29.29 1rwg n GLU 121 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rwg s VAL 122 N -0.97 0.79 0.00 2.62 1.01 -1.26 -5.08 120.40 117.52 1rwg s VAL 122 Ca 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1rwg s VAL 122 Cb -0.55 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1rwg s VAL 122 CO 0.61 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.60 1rwg n GLY 123 N 3.95 -0.34 3.66 4.51 0.00 -1.26 -4.68 105.19 111.03 1rwg n GLY 123 Ca -0.24 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1rwg n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rwg s ASN 124 N -4.00 6.61 0.40 1.61 3.84 -1.26 -4.87 114.94 117.27 1rwg s ASN 124 Ca 0.00 2.32 0.14 0.00 0.21 0.00 0.00 52.86 55.53 1rwg s ASN 124 Cb 0.00 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.16 1rwg s ASN 124 CO 0.00 -0.96 1.86 4.11 -2.79 0.00 0.00 177.10 179.32 1rwg h TRP 125 N 9.82 0.63 -0.80 0.43 5.08 -2.00 -1.82 115.95 127.30 1rwg h TRP 125 Ca -0.41 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.56 1rwg h TRP 125 Cb 1.19 -0.20 -0.04 0.00 -3.00 0.00 0.00 29.16 27.12 1rwg h TRP 125 CO 0.90 0.19 0.42 2.35 -1.28 0.00 0.00 178.44 181.03 1rwg h TRP 126 N 0.50 1.10 -0.80 0.12 7.01 -1.98 -1.85 115.95 120.04 1rwg h TRP 126 Ca 0.46 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.52 1rwg h TRP 126 Cb 0.99 -0.35 -0.07 0.00 -2.10 0.00 0.00 29.16 27.63 1rwg h TRP 126 CO -0.00 0.77 0.46 0.77 -2.79 0.00 0.00 178.44 177.64 1rwg h SER 127 N 1.12 0.65 1.15 2.65 0.02 -1.68 0.11 113.55 117.58 1rwg h SER 127 Ca 0.28 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.10 1rwg h SER 127 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1rwg h SER 127 CO -0.04 0.38 -0.86 -0.50 -1.14 0.00 0.00 176.83 174.66 1rwg h TRP 128 N 0.77 0.00 0.00 3.45 4.06 -1.46 -1.16 115.95 121.62 1rwg h TRP 128 Ca 0.38 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.25 1rwg h TRP 128 Cb 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 1rwg h TRP 128 CO -0.07 0.81 -1.66 0.39 -3.56 0.00 0.00 178.44 174.35 1rwg n GLU 129 N -3.28 1.10 0.00 0.49 1.02 -0.82 -4.44 120.64 114.71 1rwg n GLU 129 Ca -0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1rwg n GLU 129 Cb 0.87 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1rwg n GLU 129 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1rwg n ILE 130 N -2.14 0.00 0.13 -3.67 5.41 0.15 -4.57 119.36 114.67 1rwg n ILE 130 Ca -0.09 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.52 1rwg n ILE 130 Cb 0.55 -1.26 -0.08 0.00 -0.71 0.00 0.00 39.64 38.14 1rwg n ILE 130 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1rwg h GLY 131 N 0.00 -0.27 0.30 7.39 0.00 -0.89 -2.58 103.07 107.03 1rwg h GLY 131 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1rwg h GLY 131 CO 0.00 -0.10 -0.03 -2.08 0.00 0.00 0.00 176.54 174.34 1rwg h VAL 132 N -0.29 1.29 -0.74 4.60 2.07 -1.45 -3.27 116.25 118.46 1rwg h VAL 132 Ca -0.03 -1.48 0.11 0.00 0.82 0.00 0.00 66.70 66.13 1rwg h VAL 132 Cb 0.22 2.22 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 1rwg h VAL 132 CO 0.04 0.35 0.35 -0.65 0.02 0.00 0.00 177.57 177.69 1rwg h PRO 133 N -0.77 0.56 -0.92 1.57 0.11 -1.78 0.29 132.00 131.06 1rwg h PRO 133 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1rwg h PRO 133 Cb 0.63 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1rwg h PRO 133 CO 0.01 0.37 0.52 0.00 -0.21 0.00 0.00 178.00 178.69 1rwg h ARG 134 N 0.57 1.28 0.01 1.05 3.08 -1.59 0.61 114.38 119.39 1rwg h ARG 134 Ca 0.38 -0.14 -0.20 0.00 0.07 0.00 0.00 59.98 60.09 1rwg h ARG 134 Cb 0.45 -0.26 0.02 0.00 0.08 0.00 0.00 29.97 30.26 1rwg h ARG 134 CO -0.31 0.92 -0.78 0.00 -1.07 0.00 0.00 179.97 178.73 1rwg h ALA 135 N 1.29 0.09 -0.54 0.04 0.00 -1.30 -1.91 119.26 116.93 1rwg h ALA 135 Ca 0.33 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1rwg h ALA 135 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1rwg h ALA 135 CO -0.06 0.48 -0.09 1.25 0.00 0.00 0.00 179.25 180.83 1rwg h LEU 136 N 0.07 1.02 -0.38 0.00 5.85 -0.42 -0.45 115.31 121.00 1rwg h LEU 136 Ca -0.10 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1rwg h LEU 136 Cb 1.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1rwg h LEU 136 CO 0.15 1.13 0.25 0.00 -0.34 0.00 0.00 178.44 179.63 1rwg h ALA 137 N 0.93 0.48 -0.43 1.25 0.00 -0.89 0.01 119.26 120.60 1rwg h ALA 137 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rwg h ALA 137 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1rwg h ALA 137 CO 0.05 -0.07 0.27 -0.44 0.00 0.00 0.00 179.25 179.06 1rwg h ASP 138 N 0.51 0.44 -0.66 0.00 3.32 -1.13 -1.46 116.42 117.43 1rwg h ASP 138 Ca 0.14 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1rwg h ASP 138 Cb -0.06 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1rwg h ASP 138 CO -0.03 0.32 0.30 0.00 -1.72 0.00 0.00 179.24 178.11 1rwg h ALA 139 N 1.18 1.23 -0.55 3.45 0.00 -0.78 0.66 119.26 124.45 1rwg h ALA 139 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rwg h ALA 139 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1rwg h ALA 139 CO -0.07 0.57 0.30 0.52 0.00 0.00 0.00 179.25 180.58 1rwg h MET 140 N 0.98 0.77 -0.25 0.00 2.86 -0.48 -0.47 114.93 118.34 1rwg h MET 140 Ca 0.24 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1rwg h MET 140 Cb 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1rwg h MET 140 CO -0.03 0.59 -0.17 0.28 1.06 0.00 0.00 176.91 178.65 1rwg h VAL 141 N 0.74 1.31 -0.99 -2.22 2.07 -0.77 -0.43 116.25 115.95 1rwg h VAL 141 Ca 0.19 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1rwg h VAL 141 Cb 0.05 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1rwg h VAL 141 CO -0.03 0.40 0.63 -0.07 0.02 0.00 0.00 177.57 178.52 1rwg h LEU 142 N 0.27 0.97 -3.59 2.57 3.38 -0.74 -2.54 115.31 115.63 1rwg h LEU 142 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1rwg h LEU 142 Cb 0.70 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1rwg h LEU 142 CO 0.05 0.58 0.03 0.18 0.09 0.00 0.00 178.44 179.37 1rwg n LEU 143 N -4.56 5.78 -0.35 1.67 4.77 -0.20 -4.68 117.00 119.42 1rwg n LEU 143 Ca 0.16 -2.97 0.06 0.00 -0.03 0.00 0.00 56.01 53.23 1rwg n LEU 143 Cb 0.25 -0.69 0.22 0.00 -2.33 0.00 0.00 43.42 40.87 1rwg n LEU 143 CO 0.30 0.65 1.22 -0.74 -1.33 0.00 0.00 177.39 177.49 1rwg h HIS 144 N 3.83 1.11 0.00 -1.77 2.76 -0.63 0.80 115.15 121.25 1rwg h HIS 144 Ca 0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1rwg h HIS 144 Cb 2.02 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.63 1rwg h HIS 144 CO 1.11 0.46 0.00 0.00 -1.30 0.00 0.00 177.93 178.20 1rwg n ALA 145 N -2.35 1.64 -0.03 5.26 0.00 -1.26 -3.79 120.51 119.97 1rwg n ALA 145 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1rwg n ALA 145 Cb 0.32 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1rwg n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rwg n GLU 146 N -1.86 2.47 -2.82 0.00 -0.58 0.16 -5.02 120.64 112.99 1rwg n GLU 146 Ca 0.03 -0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.42 1rwg n GLU 146 Cb 0.19 -1.20 -0.07 0.00 -0.57 0.00 0.00 31.44 29.80 1rwg n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rwg s LEU 147 N -4.45 4.03 0.77 -4.62 1.43 -0.51 -5.07 118.68 110.25 1rwg s LEU 147 Ca -0.04 1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 1rwg s LEU 147 Cb 0.03 -4.42 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1rwg s LEU 147 CO 0.32 -0.29 1.12 -0.94 0.23 0.00 0.00 176.35 176.78 1rwg s SER 148 N -2.07 4.68 0.24 2.29 1.04 -1.26 -4.91 113.70 113.72 1rwg s SER 148 Ca 0.59 0.71 -0.06 0.00 0.48 0.00 0.00 55.95 57.67 1rwg s SER 148 Cb -0.11 -1.28 0.28 0.00 0.10 0.00 0.00 66.02 65.01 1rwg s SER 148 CO 0.15 -1.76 1.90 0.00 0.98 0.00 0.00 173.24 174.51 1rwg h ALA 149 N -0.88 1.23 -0.41 5.32 0.00 -1.97 -1.20 119.26 121.35 1rwg h ALA 149 Ca -0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1rwg h ALA 149 Cb 1.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1rwg h ALA 149 CO 0.64 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 180.23 1rwg h ALA 150 N 1.37 0.91 -0.21 0.00 0.00 -1.99 0.37 119.26 119.71 1rwg h ALA 150 Ca 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rwg h ALA 150 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1rwg h ALA 150 CO -0.11 0.62 0.10 0.93 0.00 0.00 0.00 179.25 180.79 1rwg h GLU 151 N 0.70 0.30 -0.79 0.00 5.08 -1.86 -1.27 114.58 116.74 1rwg h GLU 151 Ca 0.10 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1rwg h GLU 151 Cb 0.68 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1rwg h GLU 151 CO 0.05 0.33 0.46 0.00 -1.00 0.00 0.00 179.01 178.85 1rwg h ARG 152 N 0.20 0.78 -0.36 2.33 3.08 -0.89 -1.02 114.38 118.51 1rwg h ARG 152 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1rwg h ARG 152 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1rwg h ARG 152 CO -0.01 0.52 0.21 1.15 -1.07 0.00 0.00 179.97 180.77 1rwg h THR 153 N 0.81 1.12 -0.41 2.04 2.02 -0.64 0.51 112.91 118.35 1rwg h THR 153 Ca 0.36 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1rwg h THR 153 Cb 0.27 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1rwg h THR 153 CO -0.21 0.13 0.20 0.00 0.37 0.00 0.00 175.52 176.01 1rwg h ALA 154 N 1.09 0.53 -0.04 6.16 0.00 -0.81 -0.50 119.26 125.69 1rwg h ALA 154 Ca 0.13 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1rwg h ALA 154 Cb 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.66 1rwg h ALA 154 CO -0.02 0.09 -0.88 1.88 0.00 0.00 0.00 179.25 180.32 1rwg h TYR 155 N 0.53 0.97 -0.98 0.00 0.05 -0.96 -1.32 116.97 115.25 1rwg h TYR 155 Ca 0.14 -0.50 0.05 0.00 0.05 0.00 0.00 58.73 58.48 1rwg h TYR 155 Cb 0.11 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 1rwg h TYR 155 CO -0.01 1.33 0.64 0.00 -1.05 0.00 0.00 178.16 179.06 1rwg h ALA 157 N 1.45 0.96 -0.02 0.00 0.00 -0.83 0.64 119.26 121.46 1rwg h ALA 157 Ca 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rwg h ALA 157 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rwg h ALA 157 CO -0.14 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.73 1rwg h ALA 158 N 1.14 0.02 -0.44 0.00 0.00 -0.92 -1.08 119.26 117.98 1rwg h ALA 158 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rwg h ALA 158 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1rwg h ALA 158 CO 0.04 -0.44 0.27 0.82 0.00 0.00 0.00 179.25 179.94 1rwg h ILE 159 N -0.06 1.07 0.00 0.00 2.04 -1.00 -2.24 117.51 117.32 1rwg h ILE 159 Ca 0.01 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1rwg h ILE 159 Cb 0.09 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1rwg h ILE 159 CO -0.00 0.10 -0.27 0.44 0.00 0.00 0.00 178.15 178.42 1rwg h ASP 160 N 0.55 0.00 -0.36 1.72 3.32 -0.77 0.30 116.42 121.18 1rwg h ASP 160 Ca 0.17 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1rwg h ASP 160 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1rwg h ASP 160 CO -0.07 0.27 0.07 -0.74 -1.72 0.00 0.00 179.24 177.06 1rwg h HIS 161 N 0.00 0.63 0.01 4.55 -0.00 -0.61 -2.03 115.15 117.70 1rwg h HIS 161 Ca -0.00 -0.08 -0.20 0.00 -0.00 0.00 0.00 60.37 60.08 1rwg h HIS 161 Cb 0.57 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1rwg h HIS 161 CO 0.00 0.63 -0.95 0.74 -0.00 0.00 0.00 177.93 178.35 1rwg h PHE 162 N 0.44 0.09 -2.25 5.26 -1.00 -1.05 -3.39 116.94 115.03 1rwg h PHE 162 Ca 0.11 -0.06 -0.58 0.00 2.81 0.00 0.00 57.97 60.25 1rwg h PHE 162 Cb 0.34 -0.01 -0.40 0.00 3.61 0.00 0.00 35.95 39.49 1rwg h PHE 162 CO 0.02 0.97 -0.89 0.28 -1.61 0.00 0.00 178.31 177.08 1rwg n VAL 163 N -3.48 0.20 0.26 -0.55 0.31 0.06 -4.83 118.33 110.30 1rwg n VAL 163 Ca -0.02 -4.28 0.15 0.00 -0.01 0.00 0.00 64.34 60.18 1rwg n VAL 163 Cb 0.88 -1.95 0.65 0.00 -0.91 0.00 0.00 33.84 32.50 1rwg n VAL 163 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1rwg h PRO 164 N 4.56 0.00 -1.90 5.55 0.13 -1.58 -3.41 132.00 135.36 1rwg h PRO 164 Ca 0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.11 1rwg h PRO 164 Cb 0.82 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.65 1rwg h PRO 164 CO 0.56 0.09 -0.51 0.34 -0.23 0.00 0.00 178.00 178.25 1rwg s ASP 165 N -5.88 0.42 0.00 1.44 -1.08 -1.26 -5.03 116.67 105.27 1rwg s ASP 165 Ca 0.00 0.01 0.13 0.00 -0.52 0.00 0.00 52.55 52.17 1rwg s ASP 165 Cb 0.10 1.04 0.64 0.00 -1.46 0.00 0.00 42.92 43.24 1rwg s ASP 165 CO 0.57 -0.32 1.33 -0.81 0.52 0.00 0.00 175.17 176.46 1rwg n PRO 166 N 5.36 0.17 0.00 4.34 -0.04 -1.26 -1.08 135.00 142.49 1rwg n PRO 166 Ca -0.03 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1rwg n PRO 166 Cb 0.50 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.91 1rwg n PRO 166 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rwg n TRP 167 N -1.30 0.00 -4.49 0.54 7.02 -1.26 -4.55 117.44 113.41 1rwg n TRP 167 Ca 0.06 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.30 1rwg n TRP 167 Cb 0.10 -0.47 -0.10 0.00 -2.42 0.00 0.00 31.31 28.42 1rwg n TRP 167 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rwg s LEU 168 N -2.94 2.59 0.14 -0.99 1.43 -0.24 -0.86 118.68 117.80 1rwg s LEU 168 Ca 0.11 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 1rwg s LEU 168 Cb 0.14 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1rwg s LEU 168 CO 0.37 -0.31 0.29 0.00 0.23 0.00 0.00 176.35 176.93 1rwg s GLN 169 N -3.69 1.06 0.00 1.70 -2.07 -0.12 -4.64 119.66 111.90 1rwg s GLN 169 Ca 0.31 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1rwg s GLN 169 Cb 0.04 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1rwg s GLN 169 CO 0.14 -0.39 0.00 1.19 -1.32 0.00 0.00 175.29 174.92 1rwg n PHE 170 N -0.18 0.00 -1.75 9.60 0.99 -1.26 -1.59 117.46 123.27 1rwg n PHE 170 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.02 1rwg n PHE 170 Cb 0.63 -0.16 0.04 0.00 -1.00 0.00 0.00 39.48 38.98 1rwg n PHE 170 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1rwg s PRO 171 N -4.12 3.00 0.38 -1.08 0.04 -1.26 -4.71 135.00 127.25 1rwg s PRO 171 Ca 0.00 1.14 0.11 0.00 0.04 0.00 0.00 61.00 62.29 1rwg s PRO 171 Cb 0.00 -1.99 0.91 0.00 0.04 0.00 0.00 34.50 33.46 1rwg s PRO 171 CO 0.00 -1.06 1.89 -1.35 0.04 0.00 0.00 177.00 176.52 1rwg h PRO 172 N -0.19 0.57 0.00 0.56 0.11 -1.96 -0.86 132.00 130.22 1rwg h PRO 172 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rwg h PRO 172 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rwg h PRO 172 CO 0.56 0.38 0.00 0.87 -0.21 0.00 0.00 178.00 179.60 1rwg h LYS 173 N 0.59 0.00 0.00 1.05 1.57 -2.02 -1.96 116.57 115.80 1rwg h LYS 173 Ca 0.41 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1rwg h LYS 173 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1rwg h LYS 173 CO -0.17 0.00 -1.89 -2.13 -0.57 0.00 0.00 179.45 174.69 1rwg n ARG 174 N -2.31 0.65 -0.18 3.15 0.63 -0.33 -5.09 116.66 113.19 1rwg n ARG 174 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1rwg n ARG 174 Cb 0.09 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1rwg n ARG 174 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rwg n GLY 175 N 1.46 -0.31 3.82 5.14 0.00 -0.74 -5.04 105.19 109.53 1rwg n GLY 175 Ca -0.15 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1rwg n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwg s LYS 176 N -2.88 4.06 0.37 1.61 1.02 -1.26 -4.83 119.74 117.82 1rwg s LYS 176 Ca 0.00 0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.64 1rwg s LYS 176 Cb 0.00 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1rwg s LYS 176 CO 0.00 0.66 -0.04 0.96 -0.92 0.00 0.00 175.35 176.01 1rwg s ILE 177 N -1.06 2.06 0.17 2.17 -4.36 -0.62 -4.90 121.20 114.66 1rwg s ILE 177 Ca 0.26 -2.10 -0.32 0.00 -0.26 0.00 0.00 60.65 58.24 1rwg s ILE 177 Cb -0.18 -2.81 -0.11 0.00 1.25 0.00 0.00 42.46 40.62 1rwg s ILE 177 CO 0.16 -0.11 1.65 -0.89 0.24 0.00 0.00 174.94 176.00 1rwg s THR 178 N -2.70 2.40 0.30 8.37 2.01 -1.26 -0.95 115.64 123.81 1rwg s THR 178 Ca 0.34 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 1rwg s THR 178 Cb 0.06 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.32 1rwg s THR 178 CO 0.17 0.02 0.95 -0.94 -0.69 0.00 0.00 174.62 174.12 1rwg s SER 179 N 1.36 7.43 0.10 3.53 1.04 -0.04 -4.79 113.70 122.33 1rwg s SER 179 Ca 0.73 1.89 0.03 0.00 0.48 0.00 0.00 55.95 59.08 1rwg s SER 179 Cb -0.46 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.03 1rwg s SER 179 CO 0.32 -0.00 -0.09 0.68 0.98 0.00 0.00 173.24 175.12 1rwg s VAL 180 N -1.47 0.90 0.00 5.02 -7.23 -1.26 -4.50 120.40 111.86 1rwg s VAL 180 Ca 0.47 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1rwg s VAL 180 Cb -0.21 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1rwg s VAL 180 CO 0.27 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1rwg n GLY 181 N 0.40 3.18 0.36 2.32 0.00 -1.26 -1.51 105.19 108.68 1rwg n GLY 181 Ca -0.15 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1rwg n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg h ALA 182 N -0.88 1.93 -0.39 4.61 0.00 -1.95 -1.95 119.26 120.64 1rwg h ALA 182 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1rwg h ALA 182 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rwg h ALA 182 CO 0.00 -0.10 -0.20 -0.91 0.00 0.00 0.00 179.25 178.04 1rwg h ASN 183 N 0.54 0.84 -0.55 0.00 2.35 -1.65 -0.82 115.58 116.30 1rwg h ASN 183 Ca 0.34 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1rwg h ASN 183 Cb 0.58 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1rwg h ASN 183 CO -0.12 1.07 0.36 -0.09 -1.65 0.00 0.00 177.43 177.00 1rwg h ARG 184 N 0.62 0.70 -0.24 0.81 9.65 -1.02 -0.50 114.38 124.40 1rwg h ARG 184 Ca 0.08 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1rwg h ARG 184 Cb 0.76 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1rwg h ARG 184 CO 0.06 0.46 0.11 0.28 2.80 0.00 0.00 179.97 183.68 1rwg h VAL 185 N 0.72 0.98 -0.71 0.20 2.07 -1.18 -0.78 116.25 117.54 1rwg h VAL 185 Ca 0.21 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1rwg h VAL 185 Cb -0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1rwg h VAL 185 CO -0.06 0.04 0.18 0.44 0.02 0.00 0.00 177.57 178.20 1rwg h ASP 186 N 0.24 1.07 -0.38 0.57 3.32 -0.97 0.20 116.42 120.46 1rwg h ASP 186 Ca 0.10 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 1rwg h ASP 186 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1rwg h ASP 186 CO -0.08 1.01 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.15 1rwg h LEU 187 N 1.07 0.87 -0.97 1.55 3.38 -0.95 -2.15 115.31 118.11 1rwg h LEU 187 Ca 0.22 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1rwg h LEU 187 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1rwg h LEU 187 CO 0.00 1.11 0.03 0.00 0.09 0.00 0.00 178.44 179.67 1rwg h GLN 189 N 0.73 0.36 -0.68 0.00 4.15 -0.39 0.18 115.11 119.45 1rwg h GLN 189 Ca 0.15 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1rwg h GLN 189 Cb 0.41 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1rwg h GLN 189 CO 0.01 0.28 0.35 0.78 -1.93 0.00 0.00 178.83 178.33 1rwg h GLY 190 N 0.33 1.04 1.27 2.39 0.00 -1.19 -1.23 103.07 105.68 1rwg h GLY 190 Ca 0.09 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 1rwg h GLY 190 CO -0.02 0.47 -0.35 -2.22 0.00 0.00 0.00 176.54 174.43 1rwg h ILE 191 N 0.94 1.28 -0.43 2.60 1.08 -1.14 -1.10 117.51 120.74 1rwg h ILE 191 Ca 0.24 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.18 1rwg h ILE 191 Cb 0.08 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1rwg h ILE 191 CO -0.03 0.50 0.21 0.40 -0.69 0.00 0.00 178.15 178.54 1rwg h ILE 192 N 0.68 1.17 -0.41 -0.67 2.04 -0.09 0.17 117.51 120.41 1rwg h ILE 192 Ca 0.07 -0.48 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 1rwg h ILE 192 Cb 0.90 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1rwg h ILE 192 CO 0.08 0.19 -0.28 0.40 0.00 0.00 0.00 178.15 178.54 1rwg h ILE 193 N 0.55 1.28 -0.13 -0.67 1.08 -1.22 -1.62 117.51 116.77 1rwg h ILE 193 Ca 0.15 -1.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1rwg h ILE 193 Cb 0.10 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1rwg h ILE 193 CO -0.02 0.48 0.06 -0.09 -0.69 0.00 0.00 178.15 177.90 1rwg h ARG 194 N 0.73 0.17 0.00 2.37 1.12 -1.01 -1.65 114.38 116.12 1rwg h ARG 194 Ca 0.08 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.88 1rwg h ARG 194 Cb 0.86 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1rwg h ARG 194 CO 0.08 0.14 -0.25 0.77 -3.11 0.00 0.00 179.97 177.59 1rwg h SER 195 N 0.18 0.00 -0.03 -3.80 0.02 0.15 -1.47 113.55 108.60 1rwg h SER 195 Ca 0.05 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 1rwg h SER 195 Cb 0.02 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1rwg h SER 195 CO -0.01 0.25 -0.82 -0.07 -1.14 0.00 0.00 176.83 175.04 1rwg h LEU 196 N 0.00 0.78 -0.44 5.07 3.38 -0.41 0.14 115.31 123.83 1rwg h LEU 196 Ca -0.00 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 1rwg h LEU 196 Cb 0.83 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rwg h LEU 196 CO 0.03 1.39 0.15 0.00 0.09 0.00 0.00 178.44 180.11 1rwg h ALA 197 N 0.40 0.58 -0.01 1.53 0.00 -1.18 -3.14 119.26 117.43 1rwg h ALA 197 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rwg h ALA 197 Cb 1.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rwg h ALA 197 CO 0.16 0.21 -0.17 0.41 0.00 0.00 0.00 179.25 179.87 1rwg n GLY 198 N -0.70 -0.42 3.47 0.00 0.00 -0.58 -4.99 105.19 101.97 1rwg n GLY 198 Ca 0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1rwg n GLY 198 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rwg n GLU 199 N -0.39 -1.65 -3.92 1.61 1.02 0.36 -4.98 120.64 112.69 1rwg n GLU 199 Ca 0.14 0.69 -0.31 0.00 -0.02 0.00 0.00 57.16 57.67 1rwg n GLU 199 Cb 0.35 -4.88 -0.13 0.00 -0.02 0.00 0.00 31.44 26.75 1rwg n GLU 199 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rwg s ASP 200 N -3.39 4.53 0.42 1.62 -1.08 -0.41 -4.96 116.67 113.41 1rwg s ASP 200 Ca 0.43 -2.84 0.17 0.00 -0.52 0.00 0.00 52.55 49.79 1rwg s ASP 200 Cb -0.11 -1.67 0.95 0.00 -1.46 0.00 0.00 42.92 40.63 1rwg s ASP 200 CO 0.81 -0.28 1.91 1.55 0.52 0.00 0.00 175.17 179.68 1rwg h PRO 201 N 6.77 0.00 -0.09 4.34 0.13 -1.94 -1.60 132.00 139.61 1rwg h PRO 201 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1rwg h PRO 201 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1rwg h PRO 201 CO 0.67 0.27 -0.04 1.15 -0.23 0.00 0.00 178.00 179.82 1rwg h THR 202 N 0.00 1.32 -0.63 1.56 2.02 -1.99 0.25 112.91 115.44 1rwg h THR 202 Ca -0.00 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 1rwg h THR 202 Cb 0.53 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1rwg h THR 202 CO 0.03 0.29 0.09 0.11 0.37 0.00 0.00 175.52 176.42 1rwg h LYS 203 N -0.17 1.04 -0.10 6.66 1.57 -1.96 -1.99 116.57 121.63 1rwg h LYS 203 Ca 0.02 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1rwg h LYS 203 Cb 0.49 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1rwg h LYS 203 CO 0.01 0.96 0.04 1.25 -0.57 0.00 0.00 179.45 181.14 1rwg h LEU 204 N 0.97 0.13 -0.84 2.94 6.46 -1.15 -0.84 115.31 122.98 1rwg h LEU 204 Ca 0.19 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1rwg h LEU 204 Cb 0.43 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 1rwg h LEU 204 CO 0.01 0.24 0.53 0.78 -0.62 0.00 0.00 178.44 179.38 1rwg h ASN 205 N 0.02 0.84 -0.38 1.25 2.35 -0.86 -0.19 115.58 118.62 1rwg h ASN 205 Ca 0.03 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1rwg h ASN 205 Cb 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1rwg h ASN 205 CO -0.00 0.55 -0.03 -0.74 -1.65 0.00 0.00 177.43 175.56 1rwg h HIS 206 N 0.98 0.75 -0.76 1.19 2.76 -1.15 -1.29 115.15 117.64 1rwg h HIS 206 Ca 0.36 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1rwg h HIS 206 Cb 0.12 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 1rwg h HIS 206 CO -0.03 0.79 0.43 0.00 -1.30 0.00 0.00 177.93 177.82 1rwg h ALA 207 N 0.86 0.97 -0.80 5.26 0.00 -0.68 -1.41 119.26 123.47 1rwg h ALA 207 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rwg h ALA 207 Cb 0.51 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1rwg h ALA 207 CO 0.02 0.47 0.43 0.28 0.00 0.00 0.00 179.25 180.46 1rwg h VAL 208 N 1.05 1.24 -0.01 0.00 2.07 -0.88 -1.91 116.25 117.82 1rwg h VAL 208 Ca 0.27 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1rwg h VAL 208 Cb 0.01 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1rwg h VAL 208 CO -0.05 0.27 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 1rwg h ALA 209 N 1.22 1.69 0.00 1.67 0.00 -0.91 -1.48 119.26 121.46 1rwg h ALA 209 Ca 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rwg h ALA 209 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rwg h ALA 209 CO -0.04 0.23 -0.12 0.78 0.00 0.00 0.00 179.25 180.10 1rwg h GLY 210 N 0.56 0.00 1.98 0.00 0.00 -0.43 -2.54 103.07 102.64 1rwg h GLY 210 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1rwg h GLY 210 CO 0.02 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.89 1rwg h LEU 211 N 0.00 0.02 -1.70 3.11 3.38 -1.14 -3.23 115.31 115.75 1rwg h LEU 211 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1rwg h LEU 211 Cb 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1rwg h LEU 211 CO 0.02 0.11 0.21 0.28 0.09 0.00 0.00 178.44 179.14 1rwg h SER 212 N 0.02 0.35 0.18 -0.43 0.02 -1.60 -1.65 113.55 110.45 1rwg h SER 212 Ca 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1rwg h SER 212 Cb 0.16 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1rwg h SER 212 CO 0.01 0.26 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.21 1rwg h GLN 213 N 0.42 0.00 0.00 3.45 5.75 -1.77 -3.16 115.11 119.79 1rwg h GLN 213 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1rwg h GLN 213 Cb -0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1rwg h GLN 213 CO -0.03 0.14 0.00 -0.39 -2.65 0.00 0.00 178.83 175.90 1rwg h VAL 214 N 0.00 0.00 -0.30 2.39 -1.51 -1.51 -2.70 116.25 112.62 1rwg h VAL 214 Ca -0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1rwg h VAL 214 Cb 0.26 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1rwg h VAL 214 CO 0.02 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.69 1rwg n TRP 215 N -3.07 0.79 -2.58 5.19 2.14 -1.19 -4.58 117.44 114.13 1rwg n TRP 215 Ca 0.02 -0.74 -0.41 0.00 2.07 0.00 0.00 57.50 58.44 1rwg n TRP 215 Cb 0.40 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 30.64 1rwg n TRP 215 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1rwg s GLN 216 N -2.18 4.66 0.36 -2.67 -1.52 -1.02 -4.55 119.66 112.75 1rwg s GLN 216 Ca 0.36 1.65 -0.28 0.00 -1.95 0.00 0.00 55.36 55.13 1rwg s GLN 216 Cb 0.26 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 29.66 1rwg s GLN 216 CO 0.11 0.19 1.53 0.71 -0.25 0.00 0.00 175.29 177.58 1rwg s TYR 217 N -0.51 2.60 0.25 0.91 4.12 -1.26 -4.43 117.35 119.03 1rwg s TYR 217 Ca 0.47 1.05 0.12 0.00 0.02 0.00 0.00 57.07 58.73 1rwg s TYR 217 Cb -0.28 -4.06 -0.05 0.00 -1.52 0.00 0.00 41.96 36.05 1rwg s TYR 217 CO 0.35 -3.22 -0.20 0.14 0.02 0.00 0.00 175.55 172.63 1rwg s VAL 218 N -0.85 2.50 -0.74 0.71 -7.23 -0.28 -5.00 120.40 109.52 1rwg s VAL 218 Ca 0.56 -2.24 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1rwg s VAL 218 Cb -0.47 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1rwg s VAL 218 CO 0.60 -0.30 0.63 0.35 -0.31 0.00 0.00 175.10 176.08 1rwg n THR 219 N -0.32 0.00 -3.84 5.32 -2.24 -1.26 -4.31 114.28 107.63 1rwg n THR 219 Ca -0.08 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1rwg n THR 219 Cb 0.58 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1rwg n THR 219 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rwg s SER 220 N -0.73 -0.16 0.56 3.42 1.04 -1.26 -5.14 113.70 111.43 1rwg s SER 220 Ca 0.07 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1rwg s SER 220 Cb 0.05 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1rwg s SER 220 CO 0.11 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.47 1rwg n GLY 221 N -0.48 0.36 3.85 7.32 0.00 -1.26 -4.80 105.19 110.17 1rwg n GLY 221 Ca -0.06 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1rwg n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwg s ASP 222 N -4.00 6.25 0.00 1.61 1.01 -1.26 -4.74 116.67 115.54 1rwg s ASP 222 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1rwg s ASP 222 Cb 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.92 1rwg s ASP 222 CO 0.00 0.39 0.00 0.61 0.21 0.00 0.00 175.17 176.38 1rwg n GLY 223 N 2.09 0.96 3.71 0.21 0.00 -0.30 -4.87 105.19 106.99 1rwg n GLY 223 Ca -0.20 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1rwg n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rwg s ILE 224 N -2.79 5.22 0.30 -0.61 1.01 -1.26 -1.85 121.20 121.23 1rwg s ILE 224 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.45 1rwg s ILE 224 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1rwg s ILE 224 CO 0.00 0.32 0.49 -0.36 0.00 0.00 0.00 174.94 175.38 1rwg s PHE 225 N 0.79 3.49 0.48 3.97 0.40 -0.26 -1.12 117.98 125.73 1rwg s PHE 225 Ca 0.22 0.28 0.29 0.00 -0.60 0.00 0.00 56.93 57.12 1rwg s PHE 225 Cb -0.14 -1.83 1.63 0.00 0.51 0.00 0.00 43.02 43.18 1rwg s PHE 225 CO 0.08 0.23 2.15 0.00 0.70 0.00 0.00 175.22 178.37 1rwg h ARG 226 N 1.05 0.00 -0.02 0.44 3.08 -1.89 0.16 114.38 117.20 1rwg h ARG 226 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1rwg h ARG 226 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1rwg h ARG 226 CO 0.62 0.07 0.00 -0.40 -1.07 0.00 0.00 179.97 179.20 1rwg n ASP 227 N -3.66 0.22 0.00 7.04 5.68 -1.26 -4.88 116.55 119.69 1rwg n ASP 227 Ca -0.02 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1rwg n ASP 227 Cb 0.18 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1rwg n ASP 227 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rwg n GLY 228 N 0.87 1.78 3.65 6.12 0.00 0.04 -4.80 105.19 112.86 1rwg n GLY 228 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1rwg n GLY 228 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwg n SER 229 N 0.00 1.05 -3.83 1.61 7.64 -1.26 -4.37 113.62 114.46 1rwg n SER 229 Ca 0.00 0.73 -0.22 0.00 1.01 0.00 0.00 58.87 60.39 1rwg n SER 229 Cb 0.00 -1.46 -0.17 0.00 -1.01 0.00 0.00 64.21 61.57 1rwg n SER 229 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1rwg s PHE 230 N -1.66 0.77 -0.03 1.43 5.36 -1.26 -1.10 117.98 121.49 1rwg s PHE 230 Ca 0.77 -0.23 0.07 0.00 -0.96 0.00 0.00 56.93 56.57 1rwg s PHE 230 Cb -0.36 -0.78 -0.02 0.00 -0.34 0.00 0.00 43.02 41.51 1rwg s PHE 230 CO 0.46 -0.29 -0.23 0.42 -1.46 0.00 0.00 175.22 174.12 1rwg s ILE 231 N 1.53 2.27 0.05 3.12 1.01 -0.77 -0.82 121.20 127.59 1rwg s ILE 231 Ca -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1rwg s ILE 231 Cb -0.13 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1rwg s ILE 231 CO -0.03 0.58 -0.13 -1.58 0.00 0.00 0.00 174.94 173.78 1rwg s GLN 232 N -0.60 0.81 -1.25 2.79 2.00 -1.17 -1.15 119.66 121.09 1rwg s GLN 232 Ca 0.09 -0.81 -0.01 0.00 -2.00 0.00 0.00 55.36 52.63 1rwg s GLN 232 Cb -0.10 -0.79 0.00 0.00 0.80 0.00 0.00 33.01 32.92 1rwg s GLN 232 CO -0.00 0.18 0.14 0.72 -0.50 0.00 0.00 175.29 175.84 1rwg n HIS 233 N 1.64 -0.96 0.00 1.67 8.25 -1.26 -3.70 115.22 120.86 1rwg n HIS 233 Ca -0.20 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1rwg n HIS 233 Cb 0.55 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 28.35 1rwg n HIS 233 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1rwg n SER 234 N -1.06 0.00 -0.04 0.41 7.64 -1.26 -4.25 113.62 115.06 1rwg n SER 234 Ca -0.15 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.74 1rwg n SER 234 Cb 0.62 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1rwg n SER 234 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1rwg n THR 235 N 0.00 0.51 -4.51 0.44 -2.24 -1.26 -4.70 114.28 102.52 1rwg n THR 235 Ca 0.00 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 1rwg n THR 235 Cb 0.00 0.70 -0.17 0.00 -2.10 0.00 0.00 70.33 68.76 1rwg n THR 235 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rwg s THR 236 N -0.56 1.68 0.17 4.28 2.01 -1.24 -0.67 115.64 121.31 1rwg s THR 236 Ca 0.02 -0.75 -0.32 0.00 0.31 0.00 0.00 61.69 60.95 1rwg s THR 236 Cb 0.02 -1.52 -0.11 0.00 0.01 0.00 0.00 72.50 70.89 1rwg s THR 236 CO 0.00 0.48 1.78 -2.84 -0.69 0.00 0.00 174.62 173.35 1rwg s PRO 237 N 0.95 4.13 0.00 4.92 0.02 -1.26 -3.05 135.00 140.71 1rwg s PRO 237 Ca -0.06 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1rwg s PRO 237 Cb -0.15 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1rwg s PRO 237 CO -0.02 -0.80 0.74 0.66 -0.33 0.00 0.00 177.00 177.26 1rwg n TYR 238 N 4.76 0.00 -0.21 6.54 0.53 -0.00 -4.13 117.16 124.65 1rwg n TYR 238 Ca 0.17 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.22 1rwg n TYR 238 Cb 0.36 0.00 0.51 0.00 -1.03 0.00 0.00 39.34 39.19 1rwg n TYR 238 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 1rwg h THR 239 N 5.35 0.73 0.00 -0.72 2.02 -1.50 -0.94 112.91 117.85 1rwg h THR 239 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1rwg h THR 239 Cb 1.22 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1rwg h THR 239 CO 0.00 0.08 -0.08 1.23 0.37 0.00 0.00 175.52 177.11 1rwg h GLY 240 N 0.41 0.00 0.00 2.16 0.00 -1.16 -2.61 103.07 101.88 1rwg h GLY 240 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1rwg h GLY 240 CO -0.15 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.25 1rwg n SER 241 N -2.80 0.00 -0.07 0.19 3.41 -1.03 -4.55 113.62 108.77 1rwg n SER 241 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.68 1rwg n SER 241 Cb 0.50 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.81 1rwg n SER 241 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1rwg h TYR 242 N 0.00 0.65 -0.85 7.33 -1.99 -1.77 -0.65 116.97 119.70 1rwg h TYR 242 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1rwg h TYR 242 Cb 0.00 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 38.47 1rwg h TYR 242 CO 0.00 0.42 0.47 0.78 -0.00 0.00 0.00 178.16 179.83 1rwg h GLY 243 N 0.71 1.26 1.67 3.88 0.00 -1.09 -1.81 103.07 107.70 1rwg h GLY 243 Ca 0.19 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1rwg h GLY 243 CO -0.04 0.54 -0.40 -2.08 0.00 0.00 0.00 176.54 174.57 1rwg h VAL 244 N 1.18 1.30 -0.48 4.60 2.07 -0.86 -0.72 116.25 123.35 1rwg h VAL 244 Ca 0.30 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1rwg h VAL 244 Cb 0.02 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1rwg h VAL 244 CO -0.05 0.46 0.28 0.58 0.02 0.00 0.00 177.57 178.87 1rwg h VAL 245 N 0.30 1.15 -0.25 2.57 2.07 -0.66 0.28 116.25 121.72 1rwg h VAL 245 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1rwg h VAL 245 Cb 0.83 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1rwg h VAL 245 CO 0.07 0.16 0.16 0.25 0.02 0.00 0.00 177.57 178.22 1rwg h LEU 246 N 0.64 0.29 -0.38 2.57 6.46 -0.98 -1.15 115.31 122.75 1rwg h LEU 246 Ca 0.17 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1rwg h LEU 246 Cb 0.00 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1rwg h LEU 246 CO -0.03 0.22 0.12 0.25 -0.62 0.00 0.00 178.44 178.38 1rwg h LEU 247 N 0.33 0.56 0.05 2.25 5.85 -0.75 -1.00 115.31 122.59 1rwg h LEU 247 Ca 0.09 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1rwg h LEU 247 Cb -0.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1rwg h LEU 247 CO -0.02 0.61 -0.02 0.74 -0.34 0.00 0.00 178.44 179.41 1rwg h THR 248 N 0.47 0.95 -0.51 1.05 2.02 -0.38 -0.71 112.91 115.80 1rwg h THR 248 Ca 0.12 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 1rwg h THR 248 Cb 0.26 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1rwg h THR 248 CO -0.00 0.00 -0.12 1.23 0.37 0.00 0.00 175.52 177.00 1rwg h GLY 249 N -0.07 1.05 1.45 2.16 0.00 -1.03 -2.12 103.07 104.50 1rwg h GLY 249 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 1rwg h GLY 249 CO 0.01 0.77 -0.36 1.41 0.00 0.00 0.00 176.54 178.37 1rwg h LEU 250 N 0.86 0.65 -0.82 3.11 3.38 -1.14 -0.91 115.31 120.44 1rwg h LEU 250 Ca 0.13 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1rwg h LEU 250 Cb 0.67 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1rwg h LEU 250 CO 0.05 0.95 0.53 0.77 0.09 0.00 0.00 178.44 180.82 1rwg h SER 251 N 0.52 0.88 -0.23 -0.43 4.64 -0.68 0.85 113.55 119.10 1rwg h SER 251 Ca 0.05 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1rwg h SER 251 Cb 0.86 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1rwg h SER 251 CO 0.07 0.61 -0.28 0.11 -0.87 0.00 0.00 176.83 176.47 1rwg h LYS 252 N 1.03 0.59 -0.22 4.77 1.57 -1.13 -2.30 116.57 120.88 1rwg h LYS 252 Ca 0.32 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1rwg h LYS 252 Cb -0.01 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1rwg h LYS 252 CO -0.11 0.93 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.47 1rwg h LEU 253 N 0.28 0.52 -0.52 2.94 3.38 -1.01 -0.68 115.31 120.23 1rwg h LEU 253 Ca 0.03 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.62 1rwg h LEU 253 Cb 0.85 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1rwg h LEU 253 CO 0.07 0.86 0.21 -0.26 0.09 0.00 0.00 178.44 179.40 1rwg h PHE 254 N 0.19 0.37 -0.31 1.13 0.05 -0.89 -1.32 116.94 116.16 1rwg h PHE 254 Ca 0.04 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.81 1rwg h PHE 254 Cb 0.69 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.54 1rwg h PHE 254 CO 0.07 0.13 0.01 1.03 -0.18 0.00 0.00 178.31 179.37 1rwg h SER 255 N 0.40 0.53 -0.62 2.17 0.87 -1.35 -1.50 113.55 114.04 1rwg h SER 255 Ca 0.25 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1rwg h SER 255 Cb 0.25 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 1rwg h SER 255 CO -0.24 0.70 0.34 0.25 -0.53 0.00 0.00 176.83 177.35 1rwg h LEU 256 N 0.34 0.51 0.00 2.23 5.85 -0.90 -3.13 115.31 120.21 1rwg h LEU 256 Ca 0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rwg h LEU 256 Cb 0.42 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1rwg h LEU 256 CO 0.01 0.34 -0.80 0.18 -0.34 0.00 0.00 178.44 177.84 1rwg n LEU 257 N -4.81 0.63 -4.71 2.25 4.77 -0.52 -4.91 117.00 109.71 1rwg n LEU 257 Ca 0.07 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1rwg n LEU 257 Cb 0.15 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1rwg n LEU 257 CO 0.29 0.08 1.22 0.61 -1.33 0.00 0.00 177.39 178.27 1rwg n GLY 258 N 1.42 1.24 2.53 -0.72 0.00 -0.58 -1.67 105.19 107.42 1rwg n GLY 258 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1rwg n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwg n GLY 259 N 2.74 0.90 3.90 -0.02 0.00 -1.26 -4.97 105.19 106.47 1rwg n GLY 259 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1rwg n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rwg s THR 260 N -3.55 1.96 0.33 2.61 -4.23 -0.67 -4.99 115.64 107.09 1rwg s THR 260 Ca 0.00 -1.43 0.36 0.00 -1.18 0.00 0.00 61.69 59.44 1rwg s THR 260 Cb 0.00 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.82 1rwg s THR 260 CO 0.00 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.19 1rwg h ALA 261 N 0.80 1.00 -0.30 3.99 0.00 -1.95 -2.50 119.26 120.30 1rwg h ALA 261 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rwg h ALA 261 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rwg h ALA 261 CO 0.56 0.00 0.00 1.19 0.00 0.00 0.00 179.25 181.00 1rwg n PHE 262 N -2.77 0.71 -1.67 0.00 3.01 -1.26 -5.04 117.46 110.44 1rwg n PHE 262 Ca -0.02 -0.69 -0.41 0.00 1.01 0.00 0.00 57.45 57.33 1rwg n PHE 262 Cb 0.06 -0.18 0.02 0.00 -0.01 0.00 0.00 39.48 39.37 1rwg n PHE 262 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1rwg n GLU 263 N -0.02 1.69 -2.27 -1.08 2.13 -0.94 -4.89 120.64 115.25 1rwg n GLU 263 Ca 0.17 0.61 -0.43 0.00 0.66 0.00 0.00 57.16 58.16 1rwg n GLU 263 Cb 0.67 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 30.07 1rwg n GLU 263 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rwg s VAL 264 N -1.24 4.00 0.00 6.31 1.01 -1.26 -4.85 120.40 124.36 1rwg s VAL 264 Ca 0.63 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1rwg s VAL 264 Cb -0.51 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1rwg s VAL 264 CO 0.56 -0.21 0.61 -1.54 0.00 0.00 0.00 175.10 174.53 1rwg n SER 265 N 7.26 1.22 -4.65 3.32 3.41 -1.26 -5.00 113.62 117.93 1rwg n SER 265 Ca 0.16 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 1rwg n SER 265 Cb 0.45 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1rwg n SER 265 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rwg s ASP 266 N -0.24 6.35 0.55 4.04 -1.08 -1.26 -4.86 116.67 120.17 1rwg s ASP 266 Ca 0.00 2.38 0.35 0.00 -0.52 0.00 0.00 52.55 54.76 1rwg s ASP 266 Cb 0.00 -2.53 1.60 0.00 -1.46 0.00 0.00 42.92 40.53 1rwg s ASP 266 CO 0.00 -1.17 2.05 1.55 0.52 0.00 0.00 175.17 178.12 1rwg h PRO 267 N 10.99 0.00 0.00 4.34 0.13 -2.04 -2.38 132.00 143.04 1rwg h PRO 267 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1rwg h PRO 267 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rwg h PRO 267 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1rwg n THR 268 N -2.98 0.32 0.24 1.56 -2.24 -1.26 -2.44 114.28 107.48 1rwg n THR 268 Ca -0.00 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1rwg n THR 268 Cb 0.23 -0.77 0.43 0.00 -2.10 0.00 0.00 70.33 68.12 1rwg n THR 268 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1rwg n ARG 269 N -1.21 0.12 -0.13 -0.78 1.85 -0.89 -1.22 116.66 114.39 1rwg n ARG 269 Ca 0.10 0.51 0.23 0.00 -1.00 0.00 0.00 57.85 57.69 1rwg n ARG 269 Cb 0.13 -1.81 0.65 0.00 -1.05 0.00 0.00 32.46 30.38 1rwg n ARG 269 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1rwg h SER 270 N 0.00 0.13 -0.62 2.89 4.64 -1.74 -1.19 113.55 117.66 1rwg h SER 270 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1rwg h SER 270 Cb 0.13 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1rwg h SER 270 CO 0.00 0.06 0.36 0.40 -0.87 0.00 0.00 176.83 176.77 1rwg h ILE 271 N 0.13 1.19 -0.30 0.95 2.04 -1.44 0.82 117.51 120.90 1rwg h ILE 271 Ca 0.37 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1rwg h ILE 271 Cb 1.28 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1rwg h ILE 271 CO -0.05 0.20 0.16 0.15 0.00 0.00 0.00 178.15 178.61 1rwg h PHE 272 N 0.84 0.41 -0.98 1.37 3.57 -1.43 -1.74 116.94 118.98 1rwg h PHE 272 Ca 0.22 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1rwg h PHE 272 Cb 0.01 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1rwg h PHE 272 CO -0.01 0.33 0.65 0.74 -2.23 0.00 0.00 178.31 177.79 1rwg h PHE 273 N 0.36 1.23 0.00 0.41 0.04 -1.06 -0.92 116.94 117.01 1rwg h PHE 273 Ca 0.10 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1rwg h PHE 273 Cb 0.06 -0.42 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 1rwg h PHE 273 CO -0.03 0.76 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.99 1rwg h ASP 274 N 1.32 0.00 1.17 2.17 3.32 -0.56 -2.22 116.42 121.61 1rwg h ASP 274 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1rwg h ASP 274 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1rwg h ASP 274 CO -0.09 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.45 1rwg h ALA 275 N 1.99 1.00 -0.31 3.45 0.00 -0.24 0.01 119.26 125.15 1rwg h ALA 275 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rwg h ALA 275 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1rwg h ALA 275 CO 0.00 0.00 0.14 0.28 0.00 0.00 0.00 179.25 179.67 1rwg h VAL 276 N 0.00 0.97 0.00 0.00 2.07 -1.40 0.11 116.25 118.00 1rwg h VAL 276 Ca 0.00 -0.10 -0.23 0.00 0.82 0.00 0.00 66.70 67.18 1rwg h VAL 276 Cb 0.58 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1rwg h VAL 276 CO 0.00 0.05 -1.65 -0.62 0.02 0.00 0.00 177.57 175.38 1rwg n GLU 277 N -4.97 0.63 0.08 1.57 1.02 -1.18 -0.29 120.64 117.50 1rwg n GLU 277 Ca -0.00 0.22 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1rwg n GLU 277 Cb 0.08 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.68 1rwg n GLU 277 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1rwg h GLY 278 N 3.67 0.00 0.00 0.62 0.00 -0.90 -3.39 103.07 103.07 1rwg h GLY 278 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1rwg h GLY 278 CO 0.06 0.00 -0.88 1.44 0.00 0.00 0.00 176.54 177.16 1rwg n SER 279 N -3.38 0.01 -0.07 0.19 7.64 0.25 -4.51 113.62 113.74 1rwg n SER 279 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.72 1rwg n SER 279 Cb 0.86 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.93 1rwg n SER 279 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1rwg h PHE 280 N 0.00 0.03 -0.90 1.43 -1.00 -1.13 -3.39 116.94 111.99 1rwg h PHE 280 Ca 0.00 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.84 1rwg h PHE 280 Cb 0.88 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.37 1rwg h PHE 280 CO 0.00 1.16 0.55 0.00 -1.61 0.00 0.00 178.31 178.41 1rwg h ALA 281 N -0.14 1.27 0.00 2.45 0.00 -0.84 -2.31 119.26 119.69 1rwg h ALA 281 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rwg h ALA 281 Cb 1.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rwg h ALA 281 CO -0.05 0.25 -0.06 -1.35 0.00 0.00 0.00 179.25 178.03 1rwg h PRO 282 N 0.96 0.00 -0.44 0.00 0.11 -1.75 -2.41 132.00 128.47 1rwg h PRO 282 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1rwg h PRO 282 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1rwg h PRO 282 CO -0.21 0.06 0.00 1.33 -0.21 0.00 0.00 178.00 178.98 1rwg n VAL 283 N -3.48 0.67 -3.26 3.15 0.24 -0.89 -4.87 118.33 109.89 1rwg n VAL 283 Ca -0.02 -0.83 -0.39 0.00 -2.04 0.00 0.00 64.34 61.06 1rwg n VAL 283 Cb 0.19 0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 33.31 1rwg n VAL 283 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1rwg s MET 284 N -1.25 4.27 -0.31 7.34 -1.94 -0.91 -0.85 119.30 125.66 1rwg s MET 284 Ca 0.37 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 1rwg s MET 284 Cb 0.21 -3.50 0.10 0.00 2.01 0.00 0.00 34.83 33.65 1rwg s MET 284 CO 0.28 -0.00 0.08 0.42 -0.01 0.00 0.00 175.02 175.80 1rwg s ILE 285 N 1.14 1.15 -1.45 2.53 1.01 0.54 -4.81 121.20 121.32 1rwg s ILE 285 Ca 0.26 -1.56 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 1rwg s ILE 285 Cb -0.15 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1rwg s ILE 285 CO 0.10 -0.64 0.56 0.59 0.00 0.00 0.00 174.94 175.56 1rwg n ASN 286 N 4.73 -5.20 0.00 3.58 3.02 -1.26 -1.43 115.26 118.70 1rwg n ASN 286 Ca -0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1rwg n ASN 286 Cb 0.42 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1rwg n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwg n GLY 287 N -1.39 0.70 3.41 7.41 0.00 -1.24 -4.32 105.19 109.76 1rwg n GLY 287 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1rwg n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg s ALA 288 N -2.54 2.54 0.20 4.61 0.00 -0.51 -3.87 121.76 122.19 1rwg s ALA 288 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1rwg s ALA 288 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 1rwg s ALA 288 CO 0.00 0.46 1.30 -1.64 0.00 0.00 0.00 175.76 175.89 1rwg s MET 289 N -0.39 4.39 0.32 0.00 -1.94 -0.24 -0.34 119.30 121.09 1rwg s MET 289 Ca 0.04 2.05 -0.29 0.00 -1.71 0.00 0.00 55.69 55.78 1rwg s MET 289 Cb -0.12 -3.19 -0.12 0.00 2.01 0.00 0.00 34.83 33.41 1rwg s MET 289 CO 0.02 -0.24 1.45 0.00 -0.01 0.00 0.00 175.02 176.24 1rwg n ALA 290 N 2.56 1.89 -0.01 3.03 0.00 -0.03 -4.57 120.51 123.39 1rwg n ALA 290 Ca 0.06 0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.93 1rwg n ALA 290 Cb 0.43 -2.36 0.46 0.00 0.00 0.00 0.00 19.45 17.98 1rwg n ALA 290 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rwg h ASP 291 N 3.64 0.41 0.50 0.00 3.32 -1.93 -1.98 116.42 120.38 1rwg h ASP 291 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1rwg h ASP 291 Cb 1.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1rwg h ASP 291 CO 0.70 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.51 1rwg n ALA 292 N -2.49 1.56 -1.06 3.45 0.00 -1.26 -1.87 120.51 118.84 1rwg n ALA 292 Ca 0.05 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1rwg n ALA 292 Cb 0.15 -1.27 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1rwg n ALA 292 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rwg n VAL 293 N -1.81 2.03 -0.94 0.00 0.24 -0.74 -4.60 118.33 112.50 1rwg n VAL 293 Ca 0.02 -2.16 0.06 0.00 -2.04 0.00 0.00 64.34 60.23 1rwg n VAL 293 Cb 0.16 -0.25 0.09 0.00 -1.47 0.00 0.00 33.84 32.38 1rwg n VAL 293 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1rwg n ARG 294 N -1.13 1.46 0.00 7.34 1.85 -0.78 -0.56 116.66 124.84 1rwg n ARG 294 Ca 0.18 -2.07 0.00 0.00 -1.00 0.00 0.00 57.85 54.96 1rwg n ARG 294 Cb 0.73 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.90 1rwg n ARG 294 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rwg n GLY 295 N -1.01 3.03 0.00 2.89 0.00 -1.25 -1.87 105.19 106.97 1rwg n GLY 295 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1rwg n GLY 295 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rwg n ARG 296 N 14.00 0.07 0.13 1.61 1.85 -1.26 -3.03 116.66 130.03 1rwg n ARG 296 Ca 0.00 0.11 0.12 0.00 -1.00 0.00 0.00 57.85 57.08 1rwg n ARG 296 Cb 0.00 -1.50 0.50 0.00 -1.05 0.00 0.00 32.46 30.41 1rwg n ARG 296 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1rwg n SER 297 N -1.46 0.65 0.01 2.89 3.41 -0.78 -2.06 113.62 116.27 1rwg n SER 297 Ca 0.06 0.68 0.21 0.00 -0.26 0.00 0.00 58.87 59.56 1rwg n SER 297 Cb 0.24 -0.81 0.70 0.00 -0.26 0.00 0.00 64.21 64.08 1rwg n SER 297 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1rwg h ILE 298 N 0.00 0.69 0.00 -1.33 3.07 -1.71 -1.33 117.51 116.90 1rwg h ILE 298 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1rwg h ILE 298 Cb 0.31 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 1rwg h ILE 298 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1rwg n SER 299 N -4.30 0.00 -4.46 2.16 3.41 -0.87 -4.79 113.62 104.76 1rwg n SER 299 Ca 0.10 -0.97 -0.38 0.00 -0.26 0.00 0.00 58.87 57.36 1rwg n SER 299 Cb 0.61 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 1rwg n SER 299 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rwg s ARG 300 N -2.00 3.52 0.46 4.33 0.52 -0.50 -4.45 118.95 120.82 1rwg s ARG 300 Ca 0.27 -0.59 0.11 0.00 -0.52 0.00 0.00 55.73 55.00 1rwg s ARG 300 Cb 0.12 -3.52 1.03 0.00 0.52 0.00 0.00 34.95 33.11 1rwg s ARG 300 CO 0.21 -0.32 2.08 1.05 0.02 0.00 0.00 175.30 178.34 1rwg h GLU 301 N 8.32 0.25 0.00 3.54 4.11 -1.88 -2.90 114.58 126.03 1rwg h GLU 301 Ca -0.34 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.06 1rwg h GLU 301 Cb 1.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1rwg h GLU 301 CO 0.60 0.20 -0.34 0.00 0.07 0.00 0.00 179.01 179.53 1rwg n ALA 302 N -2.51 3.14 -3.30 1.06 0.00 -1.26 -4.68 120.51 112.97 1rwg n ALA 302 Ca -0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 53.44 50.16 1rwg n ALA 302 Cb 0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 1rwg n ALA 302 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rwg n ASN 303 N -1.18 -0.31 -4.60 0.00 4.05 -1.10 -5.02 115.26 107.10 1rwg n ASN 303 Ca 0.17 -2.51 -0.18 0.00 0.45 0.00 0.00 54.58 52.52 1rwg n ASN 303 Cb 0.68 -0.53 0.06 0.00 1.23 0.00 0.00 39.78 41.23 1rwg n ASN 303 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1rwg n THR 304 N 2.29 0.00 -0.09 -0.44 -2.24 -1.26 -4.61 114.28 107.93 1rwg n THR 304 Ca 0.26 -1.71 0.04 0.00 -2.27 0.00 0.00 64.05 60.37 1rwg n THR 304 Cb 0.50 -0.59 0.37 0.00 -2.10 0.00 0.00 70.33 68.50 1rwg n THR 304 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rwg h GLY 305 N 0.04 0.77 1.64 3.38 0.00 -1.93 -1.15 103.07 105.82 1rwg h GLY 305 Ca -0.25 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.58 1rwg h GLY 305 CO 0.34 0.26 -1.00 -0.97 0.00 0.00 0.00 176.54 175.17 1rwg h TYR 306 N 0.71 0.49 -0.50 5.60 -1.99 -1.87 0.14 116.97 119.55 1rwg h TYR 306 Ca 0.22 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1rwg h TYR 306 Cb 0.00 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1rwg h TYR 306 CO -0.00 1.13 0.27 -0.44 -0.00 0.00 0.00 178.16 179.12 1rwg h ASP 307 N 0.16 0.63 -0.22 3.88 3.32 -1.75 0.57 116.42 123.00 1rwg h ASP 307 Ca -0.08 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 1rwg h ASP 307 Cb 1.65 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1rwg h ASP 307 CO 0.16 0.54 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.63 1rwg h LEU 308 N 0.67 0.84 -0.76 1.55 3.38 -1.19 -1.86 115.31 117.94 1rwg h LEU 308 Ca 0.18 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1rwg h LEU 308 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1rwg h LEU 308 CO -0.03 1.26 0.43 1.23 0.09 0.00 0.00 178.44 181.42 1rwg h GLY 309 N 0.47 1.12 1.34 0.83 0.00 -0.68 -0.47 103.07 105.69 1rwg h GLY 309 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1rwg h GLY 309 CO 0.12 0.48 0.12 0.00 0.00 0.00 0.00 176.54 177.25 1rwg h ALA 310 N 1.22 1.20 -0.69 3.60 0.00 -0.73 0.11 119.26 123.98 1rwg h ALA 310 Ca 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rwg h ALA 310 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1rwg h ALA 310 CO -0.05 0.54 0.14 0.77 0.00 0.00 0.00 179.25 180.66 1rwg h SER 311 N 0.79 1.07 -0.55 0.00 0.02 -1.02 -0.77 113.55 113.10 1rwg h SER 311 Ca 0.17 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1rwg h SER 311 Cb 0.31 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1rwg h SER 311 CO 0.00 1.04 0.14 0.00 -1.14 0.00 0.00 176.83 176.87 1rwg h ALA 312 N 1.09 1.15 -0.28 3.77 0.00 -0.50 -1.52 119.26 122.96 1rwg h ALA 312 Ca 0.21 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1rwg h ALA 312 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rwg h ALA 312 CO 0.01 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 1rwg h ILE 313 N 0.88 1.28 -0.44 0.00 2.04 -0.56 -0.15 117.51 120.57 1rwg h ILE 313 Ca 0.19 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 65.00 1rwg h ILE 313 Cb 0.31 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1rwg h ILE 313 CO -0.00 0.35 0.15 -0.08 0.00 0.00 0.00 178.15 178.57 1rwg h GLU 314 N 0.31 0.31 -0.25 2.37 4.81 -0.92 -0.19 114.58 121.02 1rwg h GLU 314 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1rwg h GLU 314 Cb 0.56 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1rwg h GLU 314 CO 0.03 0.20 0.09 0.00 -0.73 0.00 0.00 179.01 178.61 1rwg h ALA 315 N 1.29 0.32 -0.66 2.92 0.00 -0.98 -0.49 119.26 121.66 1rwg h ALA 315 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rwg h ALA 315 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1rwg h ALA 315 CO -0.21 -0.08 0.37 0.82 0.00 0.00 0.00 179.25 180.15 1rwg h ILE 316 N 0.24 1.20 -0.71 0.00 2.04 -0.73 -0.28 117.51 119.28 1rwg h ILE 316 Ca 0.08 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1rwg h ILE 316 Cb 0.19 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1rwg h ILE 316 CO -0.01 0.22 0.43 -0.07 0.00 0.00 0.00 178.15 178.73 1rwg h LEU 317 N 0.90 0.85 -0.49 1.44 3.38 -0.87 0.06 115.31 120.59 1rwg h LEU 317 Ca 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1rwg h LEU 317 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1rwg h LEU 317 CO -0.04 0.66 0.14 0.25 0.09 0.00 0.00 178.44 179.54 1rwg h LEU 318 N 0.97 0.72 -1.03 1.67 5.85 -0.67 -2.86 115.31 119.97 1rwg h LEU 318 Ca 0.26 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1rwg h LEU 318 Cb -0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1rwg h LEU 318 CO -0.05 0.75 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.66 1rwg h LEU 319 N 0.66 0.59 -2.11 2.25 3.38 -0.85 -2.88 115.31 116.35 1rwg h LEU 319 Ca 0.15 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1rwg h LEU 319 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1rwg h LEU 319 CO -0.00 0.71 0.16 0.00 0.09 0.00 0.00 178.44 179.40 1rwg h ALA 320 N 1.35 2.03 -0.10 1.53 0.00 -0.74 -2.18 119.26 121.15 1rwg h ALA 320 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rwg h ALA 320 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rwg h ALA 320 CO 0.03 -0.25 0.08 0.00 0.00 0.00 0.00 179.25 179.10 1rwg h ARG 321 N 0.00 0.00 -0.03 0.00 3.08 -1.51 -2.19 114.38 113.74 1rwg h ARG 321 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1rwg h ARG 321 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1rwg h ARG 321 CO -0.00 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.83 1rwg n ALA 322 N -2.48 2.63 -2.16 0.04 0.00 -0.82 -5.00 120.51 112.73 1rwg n ALA 322 Ca -0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 53.44 52.52 1rwg n ALA 322 Cb 0.19 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 18.85 1rwg n ALA 322 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rwg s MET 323 N -2.07 2.89 0.81 0.00 -1.94 -0.82 -5.05 119.30 113.11 1rwg s MET 323 Ca 0.27 -0.29 -0.13 0.00 -1.71 0.00 0.00 55.69 53.83 1rwg s MET 323 Cb 0.20 -2.40 0.08 0.00 2.01 0.00 0.00 34.83 34.72 1rwg s MET 323 CO 0.34 -0.56 1.21 0.16 -0.01 0.00 0.00 175.02 176.16 1rwg s ASP 324 N -4.30 3.57 0.23 3.03 1.47 -1.26 -4.63 116.67 114.78 1rwg s ASP 324 Ca 0.52 2.38 -0.07 0.00 1.18 0.00 0.00 52.55 56.57 1rwg s ASP 324 Cb -0.10 -2.59 0.35 0.00 -0.34 0.00 0.00 42.92 40.24 1rwg s ASP 324 CO 0.42 -2.68 1.77 -0.65 0.68 0.00 0.00 175.17 174.70 1rwg h PRO 325 N -0.90 0.55 -0.44 2.11 0.11 -1.96 0.13 132.00 131.60 1rwg h PRO 325 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1rwg h PRO 325 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1rwg h PRO 325 CO 0.46 0.36 -0.05 0.00 -0.21 0.00 0.00 178.00 178.56 1rwg h ALA 326 N 1.44 0.59 -0.30 -0.75 0.00 -1.99 -1.28 119.26 116.98 1rwg h ALA 326 Ca 0.36 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1rwg h ALA 326 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rwg h ALA 326 CO -0.29 0.44 -0.09 1.15 0.00 0.00 0.00 179.25 180.46 1rwg h THR 327 N 0.64 1.28 -0.43 0.00 2.02 -1.80 -1.46 112.91 113.16 1rwg h THR 327 Ca 0.12 -1.13 0.09 0.00 0.77 0.00 0.00 66.41 66.25 1rwg h THR 327 Cb 0.57 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.30 1rwg h THR 327 CO 0.03 0.36 -0.09 0.00 0.37 0.00 0.00 175.52 176.20 1rwg h ALA 328 N 0.78 0.31 -0.42 6.16 0.00 -0.91 0.31 119.26 125.50 1rwg h ALA 328 Ca 0.07 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1rwg h ALA 328 Cb 0.58 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1rwg h ALA 328 CO 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 179.25 178.71 1rwg h ALA 329 N 1.42 0.99 -0.20 0.00 0.00 -1.13 -0.68 119.26 119.66 1rwg h ALA 329 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rwg h ALA 329 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rwg h ALA 329 CO -0.43 0.60 0.08 -0.09 0.00 0.00 0.00 179.25 179.42 1rwg h ARG 330 N 0.68 0.30 -0.54 0.00 9.65 -0.69 0.40 114.38 124.19 1rwg h ARG 330 Ca 0.11 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1rwg h ARG 330 Cb 0.61 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1rwg h ARG 330 CO 0.04 0.36 -0.07 -1.49 2.80 0.00 0.00 179.97 181.61 1rwg h TRP 331 N 0.17 1.08 -0.86 2.20 4.06 -0.81 -0.48 115.95 121.31 1rwg h TRP 331 Ca 0.07 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.80 1rwg h TRP 331 Cb 0.17 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 1rwg h TRP 331 CO -0.01 1.00 0.49 0.00 -3.56 0.00 0.00 178.44 176.36 1rwg h ARG 332 N 0.88 1.18 -0.53 0.49 3.08 -1.02 -0.79 114.38 117.68 1rwg h ARG 332 Ca 0.15 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1rwg h ARG 332 Cb 0.62 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1rwg h ARG 332 CO 0.04 0.85 0.28 0.78 -1.07 0.00 0.00 179.97 180.85 1rwg h GLY 333 N 1.19 0.80 0.65 0.04 0.00 -0.35 0.25 103.07 105.64 1rwg h GLY 333 Ca 0.30 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1rwg h GLY 333 CO -0.05 0.36 0.04 1.41 0.00 0.00 0.00 176.54 178.30 1rwg h LEU 334 N 0.71 -0.02 -0.52 3.11 3.38 -0.79 -0.93 115.31 120.26 1rwg h LEU 334 Ca 0.19 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1rwg h LEU 334 Cb 0.07 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1rwg h LEU 334 CO -0.03 0.02 0.17 0.00 0.09 0.00 0.00 178.44 178.69 1rwg h ALA 336 N 1.03 1.68 -0.23 0.00 0.00 -0.26 0.22 119.26 121.70 1rwg h ALA 336 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rwg h ALA 336 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rwg h ALA 336 CO -0.01 0.29 0.01 0.78 0.00 0.00 0.00 179.25 180.33 1rwg h GLY 337 N 0.64 0.42 2.00 0.00 0.00 -0.93 0.11 103.07 105.32 1rwg h GLY 337 Ca 0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1rwg h GLY 337 CO -0.04 0.28 -0.23 1.49 0.00 0.00 0.00 176.54 178.03 1rwg h TRP 338 N 0.17 0.00 0.00 5.60 6.55 -0.86 -1.77 115.95 125.64 1rwg h TRP 338 Ca 0.07 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 1rwg h TRP 338 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1rwg h TRP 338 CO 0.03 0.23 -0.00 0.82 -1.05 0.00 0.00 178.44 178.47 1rwg h ILE 339 N 0.00 1.69 -0.42 1.49 2.04 -0.90 -3.28 117.51 118.12 1rwg h ILE 339 Ca -0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 64.86 63.79 1rwg h ILE 339 Cb 0.48 3.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 1rwg h ILE 339 CO 0.03 0.52 0.08 0.00 0.00 0.00 0.00 178.15 178.79 1rwg h ALA 340 N 0.14 1.35 0.00 1.87 0.00 -0.57 -2.53 119.26 119.52 1rwg h ALA 340 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rwg h ALA 340 Cb 0.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1rwg h ALA 340 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1rwg h ARG 341 N 0.62 0.00 -4.15 0.00 3.08 -1.49 -3.40 114.38 109.04 1rwg h ARG 341 Ca 0.14 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.43 1rwg h ARG 341 Cb 0.27 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.08 1rwg h ARG 341 CO 0.00 0.00 0.22 0.34 -1.07 0.00 0.00 179.97 179.46 1rwg s ASP 342 N -4.57 6.65 0.00 7.04 2.15 -0.95 -4.76 116.67 122.22 1rwg s ASP 342 Ca 0.10 -2.41 0.29 0.00 0.43 0.00 0.00 52.55 50.95 1rwg s ASP 342 Cb 0.12 -2.25 1.17 0.00 -0.30 0.00 0.00 42.92 41.65 1rwg s ASP 342 CO 0.57 -0.73 1.81 0.35 -0.17 0.00 0.00 175.17 177.00 1rwg n THR 343 N 4.49 0.00 -0.07 1.71 -2.24 -1.26 -4.00 114.28 112.91 1rwg n THR 343 Ca 0.12 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1rwg n THR 343 Cb 0.47 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 1rwg n THR 343 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwg n TYR 344 N -0.21 0.95 -3.53 4.78 9.36 -1.26 -4.50 117.16 122.75 1rwg n TYR 344 Ca 0.19 0.31 -0.27 0.00 3.32 0.00 0.00 57.90 61.44 1rwg n TYR 344 Cb 0.31 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 37.81 1rwg n TYR 344 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1rwg n ARG 345 N -3.99 1.27 -1.64 2.98 5.12 -1.26 -5.07 116.66 114.07 1rwg n ARG 345 Ca -0.35 -3.90 -0.46 0.00 -1.93 0.00 0.00 57.85 51.21 1rwg n ARG 345 Cb 0.86 -1.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 1rwg n ARG 345 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1rwg n PRO 346 N 1.92 1.73 0.26 5.56 -0.02 -1.26 -4.83 135.00 138.36 1rwg n PRO 346 Ca 0.25 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.44 1rwg n PRO 346 Cb 0.43 -2.18 0.67 0.00 -0.02 0.00 0.00 33.50 32.40 1rwg n PRO 346 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1rwg h ILE 347 N 2.75 0.89 0.00 4.25 2.10 -1.89 -1.63 117.51 123.98 1rwg h ILE 347 Ca -0.44 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1rwg h ILE 347 Cb 1.30 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 1rwg h ILE 347 CO 0.71 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 178.02 1rwg n LEU 348 N -4.25 0.64 -4.69 2.19 4.77 -1.26 -4.22 117.00 110.18 1rwg n LEU 348 Ca -0.03 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 1rwg n LEU 348 Cb 0.14 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1rwg n LEU 348 CO 0.33 -0.17 1.20 0.20 -1.33 0.00 0.00 177.39 177.62 1rwg s ASN 349 N -4.20 6.75 -1.26 -1.43 0.01 -0.62 -2.43 114.94 111.76 1rwg s ASN 349 Ca 0.11 2.28 0.00 0.00 -0.71 0.00 0.00 52.86 54.54 1rwg s ASN 349 Cb 0.13 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1rwg s ASN 349 CO 0.57 -0.78 0.00 -1.20 -1.51 0.00 0.00 177.10 174.18 1rwg n SER 350 N 5.37 -5.73 -4.77 -1.22 7.64 -1.26 -4.97 113.62 108.68 1rwg n SER 350 Ca 0.14 0.29 -0.39 0.00 1.01 0.00 0.00 58.87 59.93 1rwg n SER 350 Cb 0.42 -4.27 -0.01 0.00 -1.01 0.00 0.00 64.21 59.34 1rwg n SER 350 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rwg s ALA 351 N -2.01 3.19 1.10 -0.43 0.00 -1.02 -5.04 121.76 117.55 1rwg s ALA 351 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1rwg s ALA 351 Cb 0.00 -3.42 0.25 0.00 0.00 0.00 0.00 23.12 19.95 1rwg s ALA 351 CO 0.00 -0.64 1.05 -1.54 0.00 0.00 0.00 175.76 174.64 1rwg s SER 352 N -0.99 1.59 0.11 0.00 1.04 -1.26 -4.53 113.70 109.66 1rwg s SER 352 Ca 0.57 1.53 -0.18 0.00 0.48 0.00 0.00 55.95 58.35 1rwg s SER 352 Cb -0.33 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1rwg s SER 352 CO 0.42 -3.83 1.63 0.58 0.98 0.00 0.00 173.24 173.03 1rwg h VAL 353 N -2.37 1.19 -0.83 5.02 2.07 -1.85 -0.44 116.25 119.05 1rwg h VAL 353 Ca -0.58 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1rwg h VAL 353 Cb 1.32 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1rwg h VAL 353 CO 0.51 0.21 0.53 -0.65 0.02 0.00 0.00 177.57 178.19 1rwg h PRO 354 N 0.32 1.02 -0.60 1.57 0.11 -1.84 -0.77 132.00 131.80 1rwg h PRO 354 Ca 0.10 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1rwg h PRO 354 Cb 0.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1rwg h PRO 354 CO -0.00 0.67 0.05 -0.09 -0.21 0.00 0.00 178.00 178.42 1rwg h ARG 355 N 1.05 1.02 -0.53 1.05 2.43 -1.89 -1.84 114.38 115.66 1rwg h ARG 355 Ca 0.33 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1rwg h ARG 355 Cb -0.01 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1rwg h ARG 355 CO -0.11 0.98 0.27 1.15 -1.51 0.00 0.00 179.97 180.76 1rwg h THR 356 N 0.92 0.95 -0.55 0.20 2.02 -0.62 -1.19 112.91 114.64 1rwg h THR 356 Ca 0.18 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1rwg h THR 356 Cb 0.49 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1rwg h THR 356 CO 0.02 0.09 0.32 0.00 0.37 0.00 0.00 175.52 176.33 1rwg h ALA 357 N 1.29 0.70 -0.45 6.16 0.00 -0.93 0.61 119.26 126.65 1rwg h ALA 357 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1rwg h ALA 357 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1rwg h ALA 357 CO -0.17 0.19 -0.07 -0.07 0.00 0.00 0.00 179.25 179.13 1rwg h LEU 358 N 0.74 0.76 -0.39 0.00 3.38 -0.96 0.76 115.31 119.60 1rwg h LEU 358 Ca 0.20 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1rwg h LEU 358 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1rwg h LEU 358 CO -0.04 0.87 -0.05 0.58 0.09 0.00 0.00 178.44 179.90 1rwg h VAL 359 N 0.71 1.27 -0.66 1.22 2.07 -0.82 -1.56 116.25 118.47 1rwg h VAL 359 Ca 0.13 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1rwg h VAL 359 Cb 0.53 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1rwg h VAL 359 CO 0.03 0.36 0.09 0.11 0.02 0.00 0.00 177.57 178.18 1rwg h LYS 360 N 0.53 1.11 -0.79 1.57 1.79 -0.74 -0.80 116.57 119.25 1rwg h LYS 360 Ca 0.10 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1rwg h LYS 360 Cb 0.54 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 1rwg h LYS 360 CO 0.03 1.03 0.47 0.37 -1.08 0.00 0.00 179.45 180.26 1rwg h GLN 361 N 1.03 1.07 -0.18 3.15 4.15 -0.66 -0.72 115.11 122.95 1rwg h GLN 361 Ca 0.20 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1rwg h GLN 361 Cb 0.47 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1rwg h GLN 361 CO 0.02 0.76 0.06 1.25 -1.93 0.00 0.00 178.83 178.99 1rwg h LEU 362 N 1.08 0.26 -1.31 -2.39 5.85 -0.88 -1.98 115.31 115.92 1rwg h LEU 362 Ca 0.28 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1rwg h LEU 362 Cb -0.03 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1rwg h LEU 362 CO -0.05 0.38 0.49 -0.08 -0.34 0.00 0.00 178.44 178.83 1rwg h GLU 363 N 0.12 0.87 0.00 1.25 4.81 -0.89 -2.42 114.58 118.32 1rwg h GLU 363 Ca 0.06 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1rwg h GLU 363 Cb 0.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1rwg h GLU 363 CO -0.00 0.58 -0.18 0.00 -0.73 0.00 0.00 179.01 178.67 1rwg h ALA 364 N 1.57 1.13 0.00 2.92 0.00 -0.46 -2.37 119.26 122.05 1rwg h ALA 364 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rwg h ALA 364 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rwg h ALA 364 CO -0.08 0.23 -0.01 1.79 0.00 0.00 0.00 179.25 181.18 1rwg h THR 365 N 0.00 0.03 -0.44 0.00 1.35 -0.86 -3.47 112.91 109.53 1rwg h THR 365 Ca -0.00 -0.27 -0.19 0.00 -0.55 0.00 0.00 66.41 65.40 1rwg h THR 365 Cb 0.56 1.26 -0.07 0.00 -1.73 0.00 0.00 68.15 68.16 1rwg h THR 365 CO 0.02 0.01 -0.17 0.61 -0.25 0.00 0.00 175.52 175.74 1rwg n GLY 366 N -0.54 0.88 3.72 5.82 0.00 -0.89 -4.97 105.19 109.21 1rwg n GLY 366 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1rwg n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwg s VAL 367 N -1.79 2.46 0.50 1.61 1.01 -1.26 -4.97 120.40 117.96 1rwg s VAL 367 Ca 0.00 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1rwg s VAL 367 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1rwg s VAL 367 CO 0.00 0.03 1.01 0.00 0.00 0.00 0.00 175.10 176.14 1rwg s ALA 368 N 1.03 2.93 0.21 5.51 0.00 -1.26 -4.85 121.76 125.33 1rwg s ALA 368 Ca 0.70 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1rwg s ALA 368 Cb -0.45 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1rwg s ALA 368 CO 0.33 -0.29 1.36 -1.25 0.00 0.00 0.00 175.76 175.91 1rwg s PRO 369 N -3.59 4.34 -0.17 0.00 0.04 -1.26 -4.42 135.00 129.94 1rwg s PRO 369 Ca 0.63 2.14 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 1rwg s PRO 369 Cb -0.13 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1rwg s PRO 369 CO 0.24 -0.32 0.20 0.08 0.04 0.00 0.00 177.00 177.24 1rwg s VAL 370 N 0.16 5.37 0.64 -0.36 1.01 -0.44 -4.80 120.40 121.98 1rwg s VAL 370 Ca 0.58 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 1rwg s VAL 370 Cb -0.38 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1rwg s VAL 370 CO 0.39 0.44 1.09 0.00 0.00 0.00 0.00 175.10 177.02 1rwg s ALA 371 N 0.27 2.57 0.01 5.51 0.00 -1.26 -4.34 121.76 124.52 1rwg s ALA 371 Ca 0.12 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 1rwg s ALA 371 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1rwg s ALA 371 CO 0.01 -1.13 1.15 -1.21 0.00 0.00 0.00 175.76 174.58 1rwg s GLU 372 N -4.15 4.44 0.31 0.00 2.02 -1.26 -4.98 118.70 115.08 1rwg s GLU 372 Ca 0.65 1.66 -0.29 0.00 0.02 0.00 0.00 54.97 57.02 1rwg s GLU 372 Cb -0.19 -3.43 -0.10 0.00 0.10 0.00 0.00 34.13 30.51 1rwg s GLU 372 CO 0.41 -0.27 1.34 0.00 0.02 0.00 0.00 175.26 176.77 1rwg s ALA 373 N 1.38 3.53 0.76 5.21 0.00 -1.26 -4.99 121.76 126.39 1rwg s ALA 373 Ca 0.56 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.69 1rwg s ALA 373 Cb -0.26 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.41 1rwg s ALA 373 CO 0.27 -0.68 1.12 0.95 0.00 0.00 0.00 175.76 177.41 1rwg s THR 374 N -0.84 3.01 0.00 0.00 -4.23 -1.26 -4.70 115.64 107.62 1rwg s THR 374 Ca 0.52 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1rwg s THR 374 Cb -0.40 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1rwg s THR 374 CO 0.51 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1rwg n GLY 375 N -0.66 -0.36 3.30 3.99 0.00 -0.42 -4.89 105.19 106.15 1rwg n GLY 375 Ca 0.10 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1rwg n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rwg s HIS 376 N 0.00 2.44 -0.14 1.61 0.09 -1.26 -0.62 115.29 117.41 1rwg s HIS 376 Ca 0.00 -0.60 -0.01 0.00 -0.00 0.00 0.00 55.06 54.44 1rwg s HIS 376 Cb 0.00 -1.58 0.04 0.00 -0.00 0.00 0.00 32.58 31.03 1rwg s HIS 376 CO 0.00 -0.14 -0.03 0.15 -0.00 0.00 0.00 174.74 174.72 1rwg s LYS 377 N -0.31 1.08 -0.09 1.40 -0.14 -0.06 -5.02 119.74 116.61 1rwg s LYS 377 Ca 0.01 -0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1rwg s LYS 377 Cb -0.13 -1.67 -0.03 0.00 -1.68 0.00 0.00 37.83 34.32 1rwg s LYS 377 CO 0.02 -0.40 0.01 -0.51 -0.76 0.00 0.00 175.35 173.71 1rwg s LEU 378 N 1.78 3.65 -0.55 3.17 1.43 -1.26 -0.36 118.68 126.54 1rwg s LEU 378 Ca 0.02 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1rwg s LEU 378 Cb -0.14 -1.84 0.22 0.00 0.03 0.00 0.00 46.19 44.46 1rwg s LEU 378 CO -0.07 0.37 0.58 0.49 0.23 0.00 0.00 176.35 177.95 1rwg n PHE 379 N 2.19 1.82 0.27 0.29 3.01 0.26 -4.96 117.46 120.34 1rwg n PHE 379 Ca -0.19 -3.90 0.10 0.00 1.01 0.00 0.00 57.45 54.47 1rwg n PHE 379 Cb 0.54 -0.40 0.73 0.00 -0.01 0.00 0.00 39.48 40.34 1rwg n PHE 379 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1rwg h PRO 380 N 4.56 0.00 0.00 -1.08 0.11 -1.87 -1.71 132.00 132.01 1rwg h PRO 380 Ca 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1rwg h PRO 380 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1rwg h PRO 380 CO 0.64 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.27 1rwg h ALA 381 N 2.00 1.31 -0.06 -0.75 0.00 -1.94 -2.84 119.26 116.98 1rwg h ALA 381 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rwg h ALA 381 Cb 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rwg h ALA 381 CO 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.44 1rwg n MET 382 N -3.74 1.62 -3.83 0.00 0.00 -0.70 -4.97 117.12 105.51 1rwg n MET 382 Ca -0.02 -2.66 -0.25 0.00 0.00 0.00 0.00 57.70 54.76 1rwg n MET 382 Cb 0.28 -1.58 0.02 0.00 0.00 0.00 0.00 33.22 31.94 1rwg n MET 382 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1rwg n ASP 383 N -1.24 -2.45 -4.05 3.17 8.00 -0.86 -4.69 116.55 114.43 1rwg n ASP 383 Ca 0.17 -0.83 -0.17 0.00 0.71 0.00 0.00 54.79 54.68 1rwg n ASP 383 Cb 0.70 -3.84 -0.13 0.00 -0.02 0.00 0.00 41.12 37.83 1rwg n ASP 383 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rwg s ARG 384 N -6.31 0.64 0.05 -1.24 1.81 -1.03 -3.04 118.95 109.83 1rwg s ARG 384 Ca 0.27 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1rwg s ARG 384 Cb -0.13 -0.56 -0.03 0.00 -0.45 0.00 0.00 34.95 33.77 1rwg s ARG 384 CO 0.83 0.14 -0.06 0.95 -0.68 0.00 0.00 175.30 176.48 1rwg s THR 385 N -0.72 0.42 0.01 0.02 -4.23 -1.24 -0.58 115.64 109.33 1rwg s THR 385 Ca -0.02 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1rwg s THR 385 Cb -0.06 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 1rwg s THR 385 CO 0.00 -0.55 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.32 1rwg s MET 386 N -2.13 1.33 -0.04 3.99 -1.94 0.51 -2.03 119.30 119.00 1rwg s MET 386 Ca -0.06 -0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 1rwg s MET 386 Cb -0.06 -1.33 0.02 0.00 2.01 0.00 0.00 34.83 35.47 1rwg s MET 386 CO -0.02 0.36 0.09 -1.01 -0.01 0.00 0.00 175.02 174.42 1rwg s HIS 387 N -0.56 -0.08 0.04 -0.03 3.76 -0.18 -0.88 115.29 117.36 1rwg s HIS 387 Ca 0.06 0.27 0.04 0.00 -0.15 0.00 0.00 55.06 55.28 1rwg s HIS 387 Cb -0.07 -0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 1rwg s HIS 387 CO 0.00 -0.09 -0.12 1.03 -0.85 0.00 0.00 174.74 174.72 1rwg s ARG 388 N 0.56 0.80 0.33 1.40 0.52 0.21 0.00 118.95 122.78 1rwg s ARG 388 Ca -0.04 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1rwg s ARG 388 Cb -0.06 -0.76 -0.01 0.00 0.52 0.00 0.00 34.95 34.63 1rwg s ARG 388 CO -0.02 0.18 0.38 0.20 0.02 0.00 0.00 175.30 176.06 1rwg s GLY 389 N -1.16 1.89 -0.13 -3.53 0.00 -0.82 -1.30 107.32 102.27 1rwg s GLY 389 Ca -0.01 -1.79 -0.29 0.00 0.00 0.00 0.00 44.72 42.64 1rwg s GLY 389 CO 0.01 -1.23 2.13 -4.14 0.00 0.00 0.00 173.10 169.87 1rwg s PRO 390 N -3.25 3.48 0.00 2.90 0.02 -1.26 -1.45 135.00 135.44 1rwg s PRO 390 Ca 0.36 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1rwg s PRO 390 Cb 0.01 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.23 1rwg s PRO 390 CO 0.24 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 1rwg n GLY 391 N 5.34 0.75 3.34 0.52 0.00 -1.26 -4.95 105.19 108.93 1rwg n GLY 391 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1rwg n GLY 391 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rwg s TRP 392 N -2.59 -0.30 -0.03 1.61 1.48 -0.53 -4.02 118.94 114.57 1rwg s TRP 392 Ca 0.00 0.15 -0.00 0.00 -1.06 0.00 0.00 56.10 55.18 1rwg s TRP 392 Cb 0.00 0.29 0.03 0.00 -1.16 0.00 0.00 33.47 32.63 1rwg s TRP 392 CO 0.00 -0.66 0.02 0.00 -4.06 0.00 0.00 176.95 172.25 1rwg s ALA 393 N -3.12 0.23 -0.18 2.67 0.00 -0.26 -1.94 121.76 119.16 1rwg s ALA 393 Ca -0.01 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1rwg s ALA 393 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1rwg s ALA 393 CO -0.07 -0.19 0.17 -1.17 0.00 0.00 0.00 175.76 174.51 1rwg s LEU 394 N 1.31 4.24 -0.17 0.00 2.96 0.10 -0.42 118.68 126.69 1rwg s LEU 394 Ca -0.06 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1rwg s LEU 394 Cb -0.13 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1rwg s LEU 394 CO -0.03 0.18 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.47 1rwg s SER 395 N 0.24 3.48 -0.10 3.68 0.15 -0.40 -1.01 113.70 119.73 1rwg s SER 395 Ca 0.11 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 56.13 1rwg s SER 395 Cb -0.12 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 1rwg s SER 395 CO 0.00 0.04 0.18 -0.76 1.20 0.00 0.00 173.24 173.90 1rwg s LEU 396 N 1.08 4.40 -0.26 3.45 1.43 -0.86 -1.39 118.68 126.53 1rwg s LEU 396 Ca -0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1rwg s LEU 396 Cb -0.14 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 43.99 1rwg s LEU 396 CO -0.05 0.39 -0.09 0.00 0.23 0.00 0.00 176.35 176.82 1rwg s ALA 397 N -0.99 2.45 0.46 4.21 0.00 -0.69 -3.64 121.76 123.58 1rwg s ALA 397 Ca 0.16 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.45 1rwg s ALA 397 Cb -0.13 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1rwg s ALA 397 CO 0.05 -1.22 0.35 1.28 0.00 0.00 0.00 175.76 176.22 1rwg n LEU 398 N 4.47 0.00 -3.86 0.00 4.77 -1.17 -1.45 117.00 119.76 1rwg n LEU 398 Ca -0.13 -2.41 -0.09 0.00 -0.03 0.00 0.00 56.01 53.35 1rwg n LEU 398 Cb 0.42 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1rwg n LEU 398 CO 0.20 -0.54 0.20 -0.94 -1.33 0.00 0.00 177.39 174.99 1rwg s SER 399 N -3.72 -0.15 0.05 -1.43 1.04 -1.10 -4.74 113.70 103.64 1rwg s SER 399 Ca 0.26 -0.69 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 1rwg s SER 399 Cb -0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1rwg s SER 399 CO 0.17 -1.06 0.26 -1.54 0.98 0.00 0.00 173.24 172.05 1rwg n SER 400 N -0.33 -0.45 0.00 7.02 3.41 -0.25 -4.72 113.62 118.30 1rwg n SER 400 Ca -0.07 -1.24 0.05 0.00 -0.26 0.00 0.00 58.87 57.35 1rwg n SER 400 Cb 0.62 0.74 0.25 0.00 -0.26 0.00 0.00 64.21 65.56 1rwg n SER 400 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rwg n ASN 401 N -0.78 0.00 -0.02 4.04 0.23 -0.78 -1.66 115.26 116.30 1rwg n ASN 401 Ca -0.01 0.14 0.05 0.00 -0.53 0.00 0.00 54.58 54.24 1rwg n ASN 401 Cb 0.15 -0.28 -0.12 0.00 -2.08 0.00 0.00 39.78 37.44 1rwg n ASN 401 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1rwg n ARG 402 N -1.28 0.68 -4.13 -3.83 1.74 -1.26 -4.94 116.66 103.64 1rwg n ARG 402 Ca 0.05 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.77 1rwg n ARG 402 Cb 0.08 -1.38 -0.17 0.00 -1.02 0.00 0.00 32.46 29.97 1rwg n ARG 402 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rwg s ILE 403 N -2.98 0.75 0.68 0.55 -1.09 -0.67 -4.69 121.20 113.76 1rwg s ILE 403 Ca -0.06 -0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 1rwg s ILE 403 Cb 0.09 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 40.21 1rwg s ILE 403 CO 0.66 0.29 1.16 0.00 -1.23 0.00 0.00 174.94 175.83 1rwg s ALA 404 N 1.23 2.33 0.27 9.38 0.00 0.15 -1.09 121.76 134.04 1rwg s ALA 404 Ca -0.05 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 1rwg s ALA 404 Cb -0.14 -3.40 0.56 0.00 0.00 0.00 0.00 23.12 20.14 1rwg s ALA 404 CO -0.02 -1.50 1.76 -1.49 0.00 0.00 0.00 175.76 174.51 1rwg h TRP 405 N 0.04 0.77 -1.76 0.00 6.55 -1.90 -3.45 115.95 116.20 1rwg h TRP 405 Ca -0.48 0.03 0.21 0.00 0.95 0.00 0.00 58.89 59.61 1rwg h TRP 405 Cb 1.27 -0.21 -0.17 0.00 -0.86 0.00 0.00 29.16 29.19 1rwg h TRP 405 CO 0.50 0.17 0.70 1.52 -1.05 0.00 0.00 178.44 180.28 1rwg s TYR 406 N -5.96 -0.19 -0.19 0.49 -0.00 -1.26 -2.33 117.35 107.90 1rwg s TYR 406 Ca -0.12 0.10 -0.05 0.00 -0.00 0.00 0.00 57.07 57.00 1rwg s TYR 406 Cb 0.22 0.53 -0.03 0.00 -0.00 0.00 0.00 41.96 42.68 1rwg s TYR 406 CO 0.78 -0.34 0.01 -2.00 -0.00 0.00 0.00 175.55 174.00 1rwg s GLU 407 N -2.67 3.67 0.22 -3.49 2.12 -1.26 -3.84 118.70 113.45 1rwg s GLU 407 Ca 0.08 -0.50 0.11 0.00 0.36 0.00 0.00 54.97 55.03 1rwg s GLU 407 Cb -0.01 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 1rwg s GLU 407 CO -0.06 0.07 -0.21 0.00 -0.54 0.00 0.00 175.26 174.53 1rwg n GLY 409 N -0.00 1.50 2.38 0.00 0.00 -0.82 -0.39 105.19 107.86 1rwg n GLY 409 Ca -0.10 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 1rwg n GLY 409 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rwg n ASN 410 N 0.00 -4.84 0.00 1.61 3.02 -1.26 -0.76 115.26 113.03 1rwg n ASN 410 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1rwg n ASN 410 Cb 0.00 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 1rwg n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwg n GLY 411 N -0.74 0.55 3.29 7.41 0.00 -1.26 -4.76 105.19 109.68 1rwg n GLY 411 Ca -0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1rwg n GLY 411 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rwg s GLU 412 N -0.75 2.98 -1.37 1.61 2.02 0.06 -1.15 118.70 122.10 1rwg s GLU 412 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1rwg s GLU 412 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1rwg s GLU 412 CO 0.00 0.27 0.00 -1.71 0.02 0.00 0.00 175.26 173.84 1rwg n ASN 413 N 3.30 -4.55 0.33 -0.19 5.15 -1.05 -1.95 115.26 116.30 1rwg n ASN 413 Ca -0.18 0.17 0.22 0.00 -0.60 0.00 0.00 54.58 54.19 1rwg n ASN 413 Cb 0.53 -3.52 1.19 0.00 -0.53 0.00 0.00 39.78 37.44 1rwg n ASN 413 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1rwg h ASN 414 N 0.00 0.00 -0.07 1.20 2.35 -1.85 -1.27 115.58 115.94 1rwg h ASN 414 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1rwg h ASN 414 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1rwg h ASN 414 CO 0.42 0.00 0.00 -1.14 -1.65 0.00 0.00 177.43 175.06 1rwg n ARG 415 N -3.12 1.91 -0.18 0.81 0.63 -1.26 -0.99 116.66 114.46 1rwg n ARG 415 Ca -0.03 -1.33 -0.01 0.00 -0.92 0.00 0.00 57.85 55.56 1rwg n ARG 415 Cb 0.08 -1.46 0.06 0.00 0.45 0.00 0.00 32.46 31.58 1rwg n ARG 415 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rwg n GLY 416 N 1.24 1.99 0.07 5.14 0.00 -0.48 -4.51 105.19 108.64 1rwg n GLY 416 Ca 0.17 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1rwg n GLY 416 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1rwg n TYR 417 N 0.15 0.45 0.78 1.61 0.18 -1.26 -1.63 117.16 117.44 1rwg n TYR 417 Ca 0.07 0.17 0.12 0.00 1.88 0.00 0.00 57.90 60.14 1rwg n TYR 417 Cb 0.52 -0.77 0.17 0.00 -0.38 0.00 0.00 39.34 38.88 1rwg n TYR 417 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 1rwg n HIS 418 N -1.90 0.19 0.47 -3.48 8.25 -1.26 -4.54 115.22 112.94 1rwg n HIS 418 Ca 0.03 -0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1rwg n HIS 418 Cb 0.24 0.00 0.47 0.00 1.12 0.00 0.00 29.99 31.82 1rwg n HIS 418 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rwg n THR 419 N 1.32 0.77 -0.79 1.59 -2.24 -0.64 -1.72 114.28 112.56 1rwg n THR 419 Ca 0.16 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1rwg n THR 419 Cb 0.58 -1.01 0.36 0.00 -2.10 0.00 0.00 70.33 68.16 1rwg n THR 419 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwg n GLY 420 N 0.32 3.06 2.20 3.38 0.00 -0.99 -4.48 105.19 108.68 1rwg n GLY 420 Ca 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1rwg n GLY 420 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwg n SER 421 N 0.64 5.64 -0.40 1.61 7.64 -0.70 -2.70 113.62 125.35 1rwg n SER 421 Ca 0.26 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1rwg n SER 421 Cb 1.02 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1rwg n SER 421 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwg n GLY 422 N -0.86 0.82 3.77 0.23 0.00 -0.53 -3.18 105.19 105.43 1rwg n GLY 422 Ca 0.56 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1rwg n GLY 422 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rwg s MET 423 N -2.77 4.20 -0.48 1.61 -1.94 -0.83 -3.42 119.30 115.68 1rwg s MET 423 Ca 0.00 2.05 -0.02 0.00 -1.71 0.00 0.00 55.69 56.02 1rwg s MET 423 Cb 0.00 -2.89 0.13 0.00 2.01 0.00 0.00 34.83 34.08 1rwg s MET 423 CO 0.00 -0.27 0.27 0.95 -0.01 0.00 0.00 175.02 175.97 1rwg s THR 424 N -1.25 3.27 -0.33 2.05 -4.23 0.03 -1.70 115.64 113.48 1rwg s THR 424 Ca 0.53 -2.49 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 1rwg s THR 424 Cb -0.36 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1rwg s THR 424 CO 0.47 -0.75 0.86 -0.31 -0.54 0.00 0.00 174.62 174.34 1rwg s TYR 425 N 0.60 3.15 -0.59 3.99 1.51 -0.49 -4.61 117.35 120.93 1rwg s TYR 425 Ca 0.12 0.82 -0.13 0.00 -1.01 0.00 0.00 57.07 56.87 1rwg s TYR 425 Cb -0.22 -3.41 0.15 0.00 -0.11 0.00 0.00 41.96 38.37 1rwg s TYR 425 CO -0.04 -0.68 0.51 -0.06 -1.11 0.00 0.00 175.55 174.17 1rwg s PHE 426 N 3.19 3.42 0.20 2.71 0.40 -1.26 -1.28 117.98 125.36 1rwg s PHE 426 Ca 0.35 -1.69 -0.30 0.00 -0.60 0.00 0.00 56.93 54.69 1rwg s PHE 426 Cb -0.13 -3.68 -0.08 0.00 0.51 0.00 0.00 43.02 39.63 1rwg s PHE 426 CO 0.15 -1.00 0.99 0.71 0.70 0.00 0.00 175.22 176.77 1rwg s TYR 427 N 1.12 3.83 0.00 0.36 1.51 0.44 -4.92 117.35 119.70 1rwg s TYR 427 Ca 0.08 1.81 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1rwg s TYR 427 Cb -0.24 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1rwg s TYR 427 CO -0.01 0.11 0.00 0.25 -1.11 0.00 0.00 175.55 174.79 1rwg n THR 428 N 1.93 0.00 0.20 -0.71 -2.24 -1.26 -1.11 114.28 111.08 1rwg n THR 428 Ca -0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1rwg n THR 428 Cb 0.47 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.04 1rwg n THR 428 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rwg n SER 429 N -1.27 0.31 -4.58 3.42 3.41 -1.26 -3.74 113.62 109.91 1rwg n SER 429 Ca 0.00 0.62 -0.38 0.00 -0.26 0.00 0.00 58.87 58.85 1rwg n SER 429 Cb 0.00 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1rwg n SER 429 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rwg s ASP 430 N -3.57 6.26 0.41 4.04 3.68 -1.26 -4.78 116.67 121.46 1rwg s ASP 430 Ca 0.01 -2.08 0.13 0.00 2.13 0.00 0.00 52.55 52.74 1rwg s ASP 430 Cb 0.05 -2.58 0.88 0.00 -1.45 0.00 0.00 42.92 39.82 1rwg s ASP 430 CO 0.17 -1.77 1.93 -0.07 0.13 0.00 0.00 175.17 175.56 1rwg h LEU 431 N 14.17 0.05 -0.57 -1.34 3.38 -2.00 -1.56 115.31 127.45 1rwg h LEU 431 Ca 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1rwg h LEU 431 Cb 0.91 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1rwg h LEU 431 CO 1.39 0.28 0.00 0.61 0.09 0.00 0.00 178.44 180.80 1rwg n GLY 432 N -0.84 -0.33 0.38 0.83 0.00 -1.26 -4.57 105.19 99.39 1rwg n GLY 432 Ca -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1rwg n GLY 432 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1rwg h GLN 433 N 1.07 -0.11 -0.03 1.61 5.75 -1.64 0.54 115.11 122.30 1rwg h GLN 433 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1rwg h GLN 433 Cb 0.24 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1rwg h GLN 433 CO 0.00 -0.07 -0.00 0.66 -2.65 0.00 0.00 178.83 176.76 1rwg n TYR 434 N -5.42 0.00 -0.02 3.99 4.02 -1.26 -4.33 117.16 114.13 1rwg n TYR 434 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.98 1rwg n TYR 434 Cb 0.36 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.56 1rwg n TYR 434 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rwg n ASP 435 N 1.22 1.33 -4.11 7.72 -0.08 -0.66 -4.38 116.55 117.59 1rwg n ASP 435 Ca 0.14 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.99 1rwg n ASP 435 Cb 0.57 1.51 0.00 0.00 2.34 0.00 0.00 41.12 45.54 1rwg n ASP 435 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1rwg n ASP 436 N -2.19 5.10 -1.95 1.67 2.03 0.09 -4.36 116.55 116.94 1rwg n ASP 436 Ca -0.09 -3.05 -0.17 0.00 0.52 0.00 0.00 54.79 52.01 1rwg n ASP 436 Cb 0.57 -1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 39.40 1rwg n ASP 436 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rwg n ALA 437 N 4.73 -0.47 -0.08 -1.67 0.00 -1.26 -4.88 120.51 116.88 1rwg n ALA 437 Ca 0.39 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1rwg n ALA 437 Cb 0.39 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 1rwg n ALA 437 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rwg h PHE 438 N 0.00 0.36 0.00 0.00 3.57 -1.76 -2.03 116.94 117.08 1rwg h PHE 438 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1rwg h PHE 438 Cb 1.20 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1rwg h PHE 438 CO 0.55 0.26 0.00 0.91 -2.23 0.00 0.00 178.31 177.80 1rwg n TRP 439 N -4.87 0.07 0.07 0.41 7.02 -1.26 -0.14 117.44 118.74 1rwg n TRP 439 Ca -0.02 0.02 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1rwg n TRP 439 Cb 0.04 -0.54 -0.06 0.00 -2.42 0.00 0.00 31.31 28.34 1rwg n TRP 439 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rwg h ALA 440 N 2.87 0.62 0.00 6.99 0.00 -1.77 -3.42 119.26 124.55 1rwg h ALA 440 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1rwg h ALA 440 Cb 0.47 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rwg h ALA 440 CO 0.00 0.95 -0.89 0.25 0.00 0.00 0.00 179.25 179.56 1rwg n THR 441 N -3.11 0.00 -1.27 0.00 -2.24 -0.81 -4.06 114.28 102.79 1rwg n THR 441 Ca -0.05 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1rwg n THR 441 Cb 0.85 0.55 0.11 0.00 -2.10 0.00 0.00 70.33 69.74 1rwg n THR 441 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rwg s ALA 442 N -1.91 2.01 -0.58 6.98 0.00 0.80 -4.61 121.76 124.45 1rwg s ALA 442 Ca -0.00 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 1rwg s ALA 442 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1rwg s ALA 442 CO 0.02 -2.03 1.32 1.21 0.00 0.00 0.00 175.76 176.28 1rwg s ASN 443 N -2.33 6.27 0.00 0.00 3.84 -1.26 -4.88 114.94 116.58 1rwg s ASN 443 Ca 0.71 0.18 0.06 0.00 0.21 0.00 0.00 52.86 54.03 1rwg s ASN 443 Cb -0.26 -2.55 0.28 0.00 -0.55 0.00 0.00 41.25 38.17 1rwg s ASN 443 CO 0.49 -1.62 1.18 -1.22 -2.79 0.00 0.00 177.10 173.14 1rwg n TYR 444 N 9.09 0.00 0.70 0.43 4.02 -1.26 -0.72 117.16 129.42 1rwg n TYR 444 Ca 0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.11 1rwg n TYR 444 Cb 0.49 -0.46 0.14 0.00 -0.02 0.00 0.00 39.34 39.50 1rwg n TYR 444 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1rwg n ASN 445 N -1.46 3.17 -2.76 7.72 3.02 -1.26 -4.52 115.26 119.18 1rwg n ASN 445 Ca 0.02 -1.99 -0.04 0.00 -0.03 0.00 0.00 54.58 52.54 1rwg n ASN 445 Cb 0.07 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1rwg n ASN 445 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rwg n ARG 446 N 1.39 1.46 -2.16 3.52 1.74 0.11 -4.91 116.66 117.81 1rwg n ARG 446 Ca 0.16 -3.37 -0.35 0.00 -0.77 0.00 0.00 57.85 53.52 1rwg n ARG 446 Cb 0.60 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.63 1rwg n ARG 446 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rwg s LEU 447 N -3.49 3.72 0.24 0.55 1.43 -1.15 -4.56 118.68 115.42 1rwg s LEU 447 Ca 0.27 2.27 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 1rwg s LEU 447 Cb 0.39 -4.59 -0.11 0.00 0.03 0.00 0.00 46.19 41.91 1rwg s LEU 447 CO -0.00 -1.37 1.65 -2.16 0.23 0.00 0.00 176.35 174.69 1rwg s PRO 448 N -3.30 4.13 0.00 1.29 0.04 -1.26 -2.59 135.00 133.31 1rwg s PRO 448 Ca 0.75 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.35 1rwg s PRO 448 Cb -0.27 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1rwg s PRO 448 CO 0.30 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1rwg n GLY 449 N 3.13 2.65 3.81 0.56 0.00 0.81 -0.79 105.19 115.37 1rwg n GLY 449 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1rwg n GLY 449 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rwg s ILE 450 N -2.21 3.91 -0.08 -0.61 -4.36 -1.07 -4.56 121.20 112.22 1rwg s ILE 450 Ca 0.00 0.64 -0.03 0.00 -0.26 0.00 0.00 60.65 61.00 1rwg s ILE 450 Cb 0.00 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.35 1rwg s ILE 450 CO 0.00 -0.79 0.05 -0.89 0.24 0.00 0.00 174.94 173.55 1rwg s THR 451 N -2.98 4.66 -0.15 8.37 2.01 -1.19 -0.80 115.64 125.56 1rwg s THR 451 Ca 0.59 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 1rwg s THR 451 Cb -0.15 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1rwg s THR 451 CO 0.54 0.56 0.36 0.54 -0.69 0.00 0.00 174.62 175.92 1rwg s VAL 452 N -0.98 -0.08 0.02 3.82 0.11 0.15 -4.95 120.40 118.48 1rwg s VAL 452 Ca 0.16 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1rwg s VAL 452 Cb -0.12 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1rwg s VAL 452 CO 0.05 0.05 1.07 -0.62 -3.33 0.00 0.00 175.10 172.32 1rwg s ASP 453 N 1.48 7.25 0.00 3.54 -1.08 -1.26 -0.44 116.67 126.15 1rwg s ASP 453 Ca -0.09 1.79 0.26 0.00 -0.52 0.00 0.00 52.55 54.00 1rwg s ASP 453 Cb -0.09 -2.57 1.55 0.00 -1.46 0.00 0.00 42.92 40.35 1rwg s ASP 453 CO -0.11 -0.36 1.94 0.35 0.52 0.00 0.00 175.17 177.51 1rwg n THR 454 N 3.96 0.00 -1.68 1.71 -2.24 -0.39 -4.79 114.28 110.84 1rwg n THR 454 Ca 0.07 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.34 1rwg n THR 454 Cb 0.49 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1rwg n THR 454 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rwg n THR 455 N -0.96 0.34 -1.95 4.28 -1.04 -1.26 -4.92 114.28 108.78 1rwg n THR 455 Ca 0.20 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.73 1rwg n THR 455 Cb 0.09 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.06 1rwg n THR 455 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1rwg s PRO 456 N 3.00 4.23 0.09 -2.82 0.02 -1.26 -5.01 135.00 133.24 1rwg s PRO 456 Ca 0.91 2.38 0.06 0.00 0.02 0.00 0.00 61.00 64.38 1rwg s PRO 456 Cb -0.83 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.58 1rwg s PRO 456 CO 0.53 -0.46 -0.09 -0.51 -0.33 0.00 0.00 177.00 176.14 1rwg s LEU 457 N -0.67 3.10 0.59 -5.54 1.43 -1.26 -5.11 118.68 111.22 1rwg s LEU 457 Ca 0.59 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1rwg s LEU 457 Cb -0.43 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1rwg s LEU 457 CO 0.47 0.19 1.04 -2.16 0.23 0.00 0.00 176.35 176.12 1rwg s PRO 458 N -2.11 3.40 0.42 1.29 0.04 -1.26 -4.97 135.00 131.81 1rwg s PRO 458 Ca 0.21 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 1rwg s PRO 458 Cb -0.11 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1rwg s PRO 458 CO 0.13 -0.73 1.34 -0.25 0.04 0.00 0.00 177.00 177.53 1rwg n ASP 459 N -2.14 2.92 -0.87 6.66 10.43 -1.26 -1.44 116.55 130.84 1rwg n ASP 459 Ca 0.08 1.13 -0.11 0.00 2.57 0.00 0.00 54.79 58.45 1rwg n ASP 459 Cb 0.53 -1.54 -0.05 0.00 1.84 0.00 0.00 41.12 41.90 1rwg n ASP 459 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1rwg n LYS 460 N 0.02 -0.96 -1.60 -1.24 5.02 -0.16 -4.99 118.16 114.26 1rwg n LYS 460 Ca 0.06 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.80 1rwg n LYS 460 Cb 0.40 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1rwg n LYS 460 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1rwg n VAL 461 N -2.59 2.27 -0.76 -0.18 3.14 -0.52 -1.00 118.33 118.69 1rwg n VAL 461 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1rwg n VAL 461 Cb 0.42 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1rwg n VAL 461 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1rwg n GLU 462 N 0.33 -0.22 0.00 1.45 -0.58 -1.26 -4.84 120.64 115.51 1rwg n GLU 462 Ca 0.09 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1rwg n GLU 462 Cb 0.37 -3.79 0.00 0.00 -0.57 0.00 0.00 31.44 27.45 1rwg n GLU 462 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rwg n GLY 463 N -1.74 0.54 3.90 0.62 0.00 -0.17 -3.88 105.19 104.46 1rwg n GLY 463 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1rwg n GLY 463 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rwg s GLN 464 N -2.79 2.48 -1.60 1.61 -0.21 -1.26 -4.38 119.66 113.50 1rwg s GLN 464 Ca 0.00 0.22 -0.01 0.00 0.02 0.00 0.00 55.36 55.59 1rwg s GLN 464 Cb 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1rwg s GLN 464 CO 0.00 -1.22 0.13 0.91 -2.12 0.00 0.00 175.29 172.99 1rwg n TRP 465 N -3.07 -1.29 -2.51 0.91 7.02 0.47 -2.67 117.44 116.31 1rwg n TRP 465 Ca 0.07 0.11 -0.21 0.00 -1.02 0.00 0.00 57.50 56.45 1rwg n TRP 465 Cb 0.59 -3.83 -0.00 0.00 -2.42 0.00 0.00 31.31 25.65 1rwg n TRP 465 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rwg n GLY 466 N -1.08 -0.50 0.24 6.99 0.00 -1.25 -4.86 105.19 104.73 1rwg n GLY 466 Ca -0.20 0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1rwg n GLY 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg h ALA 467 N 1.00 1.02 -3.96 4.61 0.00 -1.76 -3.44 119.26 116.74 1rwg h ALA 467 Ca -0.51 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.60 1rwg h ALA 467 Cb 1.37 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.92 1rwg h ALA 467 CO 0.59 0.16 -0.81 0.00 0.00 0.00 0.00 179.25 179.19 1rwg s ALA 468 N -3.65 2.59 0.10 0.00 0.00 -1.25 -5.12 121.76 114.44 1rwg s ALA 468 Ca 0.01 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1rwg s ALA 468 Cb 0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1rwg s ALA 468 CO 0.60 0.57 -0.17 0.14 0.00 0.00 0.00 175.76 176.90 1rwg s VAL 469 N -0.94 1.47 0.16 0.00 -7.23 -1.26 -4.20 120.40 108.40 1rwg s VAL 469 Ca 0.15 -1.54 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 1rwg s VAL 469 Cb -0.10 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1rwg s VAL 469 CO 0.05 -0.20 1.47 -2.16 -0.31 0.00 0.00 175.10 173.96 1rwg s PRO 470 N -2.08 4.27 -1.37 4.82 0.04 -1.24 -4.90 135.00 134.53 1rwg s PRO 470 Ca 0.05 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1rwg s PRO 470 Cb -0.09 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1rwg s PRO 470 CO 0.04 -0.50 2.03 0.00 0.04 0.00 0.00 177.00 178.61 1rwg n ALA 471 N 3.61 5.29 -2.02 8.56 0.00 -1.26 -1.86 120.51 132.84 1rwg n ALA 471 Ca 0.11 -4.06 -0.18 0.00 0.00 0.00 0.00 53.44 49.31 1rwg n ALA 471 Cb 0.40 -3.31 0.03 0.00 0.00 0.00 0.00 19.45 16.58 1rwg n ALA 471 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rwg s ASP 472 N 2.34 5.42 -0.07 0.00 -4.77 -1.26 -4.99 116.67 113.34 1rwg s ASP 472 Ca 0.44 -0.58 -0.27 0.00 -3.30 0.00 0.00 52.55 48.84 1rwg s ASP 472 Cb 0.11 -0.28 -0.23 0.00 -1.09 0.00 0.00 42.92 41.44 1rwg s ASP 472 CO -0.04 -1.01 1.06 -0.33 0.70 0.00 0.00 175.17 175.55 1rwg h GLU 473 N 0.44 0.03 -1.78 2.11 5.08 -1.92 -3.41 114.58 115.12 1rwg h GLU 473 Ca -0.36 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1rwg h GLU 473 Cb 1.28 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.36 1rwg h GLU 473 CO 0.43 0.73 0.68 1.67 -1.00 0.00 0.00 179.01 181.52 1rwg s TRP 474 N -3.38 -0.22 0.01 4.33 1.48 -1.26 -4.78 118.94 115.12 1rwg s TRP 474 Ca -0.17 0.16 0.02 0.00 -1.06 0.00 0.00 56.10 55.05 1rwg s TRP 474 Cb -0.00 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.82 1rwg s TRP 474 CO 0.69 -0.34 -0.08 -1.12 -4.06 0.00 0.00 176.95 172.04 1rwg s SER 475 N -2.21 0.92 0.00 -2.66 0.01 -1.26 -1.26 113.70 107.24 1rwg s SER 475 Ca 0.07 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1rwg s SER 475 Cb -0.01 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1rwg s SER 475 CO -0.06 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1rwg n GLY 476 N 2.57 -1.19 3.52 3.44 0.00 -0.43 -4.80 105.19 108.30 1rwg n GLY 476 Ca -0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1rwg n GLY 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg s ALA 477 N -1.00 -1.86 0.26 4.61 0.00 -1.26 -0.83 121.76 121.67 1rwg s ALA 477 Ca 0.00 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 1rwg s ALA 477 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1rwg s ALA 477 CO 0.00 -0.67 0.36 -0.08 0.00 0.00 0.00 175.76 175.36 1rwg s THR 478 N -3.00 0.00 -0.17 0.00 -1.32 0.01 -4.68 115.64 106.48 1rwg s THR 478 Ca 0.06 -1.67 -0.24 0.00 -1.21 0.00 0.00 61.69 58.63 1rwg s THR 478 Cb -0.01 -2.42 0.06 0.00 -1.51 0.00 0.00 72.50 68.63 1rwg s THR 478 CO -0.08 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 172.94 1rwg s ALA 479 N -3.81 -1.55 -0.12 11.08 0.00 -1.26 -1.10 121.76 125.00 1rwg s ALA 479 Ca 0.31 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1rwg s ALA 479 Cb 0.02 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1rwg s ALA 479 CO 0.14 -0.31 -0.10 -1.17 0.00 0.00 0.00 175.76 174.31 1rwg s LEU 480 N -0.17 1.37 0.00 0.00 2.96 -0.04 -4.78 118.68 118.01 1rwg s LEU 480 Ca -0.04 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1rwg s LEU 480 Cb -0.03 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1rwg s LEU 480 CO 0.03 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1rwg n GLY 481 N 4.80 3.35 0.15 7.98 0.00 -1.26 -1.77 105.19 118.44 1rwg n GLY 481 Ca -0.15 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1rwg n GLY 481 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1rwg n GLU 482 N 14.00 1.21 -4.97 1.61 0.28 -1.26 -4.73 120.64 126.77 1rwg n GLU 482 Ca 0.00 -0.30 -0.29 0.00 -0.16 0.00 0.00 57.16 56.41 1rwg n GLU 482 Cb 0.00 -1.42 -0.17 0.00 1.43 0.00 0.00 31.44 31.28 1rwg n GLU 482 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1rwg s VAL 483 N -1.97 1.67 0.14 3.84 1.01 -0.73 -3.04 120.40 121.32 1rwg s VAL 483 Ca 0.39 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1rwg s VAL 483 Cb 0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1rwg s VAL 483 CO 0.31 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.74 1rwg s ALA 484 N 0.29 2.82 -0.13 5.51 0.00 0.06 -0.87 121.76 129.45 1rwg s ALA 484 Ca -0.12 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.46 1rwg s ALA 484 Cb -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1rwg s ALA 484 CO 0.05 0.54 -0.22 0.00 0.00 0.00 0.00 175.76 176.14 1rwg s ALA 485 N -1.41 2.19 -0.02 0.00 0.00 -0.26 -1.23 121.76 121.02 1rwg s ALA 485 Ca 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1rwg s ALA 485 Cb -0.10 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1rwg s ALA 485 CO 0.13 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.87 1rwg s VAL 486 N 0.73 1.10 0.07 0.00 1.01 0.11 -0.81 120.40 122.61 1rwg s VAL 486 Ca -0.10 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1rwg s VAL 486 Cb -0.16 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1rwg s VAL 486 CO 0.00 0.32 -0.13 -0.83 0.00 0.00 0.00 175.10 174.46 1rwg s GLY 487 N -0.05 0.84 -0.07 4.51 0.00 -0.01 -0.59 107.32 111.94 1rwg s GLY 487 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1rwg s GLY 487 CO 0.01 -1.03 0.13 1.62 0.00 0.00 0.00 173.10 173.83 1rwg s GLN 488 N -1.80 0.01 -0.67 2.90 0.74 0.89 -1.32 119.66 120.41 1rwg s GLN 488 Ca -0.02 0.49 -0.27 0.00 0.05 0.00 0.00 55.36 55.61 1rwg s GLN 488 Cb -0.10 -0.32 0.04 0.00 1.10 0.00 0.00 33.01 33.73 1rwg s GLN 488 CO 0.02 -0.30 1.19 -1.58 -0.55 0.00 0.00 175.29 174.07 1rwg s HIS 489 N 2.13 2.46 -0.06 1.67 5.65 -0.39 -1.08 115.29 125.67 1rwg s HIS 489 Ca 0.02 0.02 -0.30 0.00 0.25 0.00 0.00 55.06 55.06 1rwg s HIS 489 Cb -0.12 -4.51 -0.03 0.00 -1.18 0.00 0.00 32.58 26.74 1rwg s HIS 489 CO -0.05 -1.83 1.18 -1.17 -0.65 0.00 0.00 174.74 172.22 1rwg s LEU 490 N 5.17 4.28 -0.17 8.88 2.96 0.29 -4.66 118.68 135.43 1rwg s LEU 490 Ca 0.35 1.79 -0.02 0.00 -0.22 0.00 0.00 54.13 56.03 1rwg s LEU 490 Cb -0.09 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1rwg s LEU 490 CO 0.18 -0.56 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.86 1rwg s VAL 491 N 2.14 3.15 0.44 1.68 1.01 -1.26 -1.58 120.40 125.97 1rwg s VAL 491 Ca 0.55 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 1rwg s VAL 491 Cb -0.24 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.69 1rwg s VAL 491 CO 0.22 0.49 1.07 -0.83 0.00 0.00 0.00 175.10 176.05 1rwg s GLY 492 N 0.83 2.68 0.75 4.51 0.00 -0.42 -4.86 107.32 110.81 1rwg s GLY 492 Ca -0.03 0.73 -0.11 0.00 0.00 0.00 0.00 44.72 45.31 1rwg s GLY 492 CO 0.01 1.13 1.08 2.56 0.00 0.00 0.00 173.10 177.88 1rwg s PRO 493 N -2.76 2.43 -0.19 2.90 0.04 -1.26 -4.12 135.00 132.04 1rwg s PRO 493 Ca 0.62 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1rwg s PRO 493 Cb -0.22 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1rwg s PRO 493 CO 0.27 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1rwg n GLY 494 N -1.78 0.52 2.40 0.56 0.00 -1.26 -4.14 105.19 101.49 1rwg n GLY 494 Ca 0.08 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1rwg n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwg n ARG 495 N -2.93 -1.81 0.23 1.61 1.74 -1.26 -4.87 116.66 109.37 1rwg n ARG 495 Ca -0.02 0.88 0.09 0.00 -0.77 0.00 0.00 57.85 58.03 1rwg n ARG 495 Cb 0.06 -5.47 0.54 0.00 -1.02 0.00 0.00 32.46 26.58 1rwg n ARG 495 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1rwg h THR 496 N 0.00 0.78 0.00 0.55 1.35 -1.81 -3.47 112.91 110.31 1rwg h THR 496 Ca -0.41 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1rwg h THR 496 Cb 1.28 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1rwg h THR 496 CO 0.50 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1rwg n GLY 497 N -0.40 0.70 3.73 5.82 0.00 -1.26 -1.70 105.19 112.08 1rwg n GLY 497 Ca -0.01 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1rwg n GLY 497 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwg s LEU 498 N 0.00 4.36 0.01 0.99 1.98 -1.26 -3.88 118.68 120.89 1rwg s LEU 498 Ca 0.00 2.80 0.02 0.00 -2.89 0.00 0.00 54.13 54.06 1rwg s LEU 498 Cb 0.00 -3.61 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 1rwg s LEU 498 CO 0.00 -0.88 -0.07 0.28 -1.89 0.00 0.00 176.35 173.79 1rwg s THR 499 N 0.67 0.54 -0.08 3.68 -1.32 -0.06 -1.30 115.64 117.76 1rwg s THR 499 Ca 0.68 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 60.41 1rwg s THR 499 Cb -0.46 -0.50 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 1rwg s THR 499 CO 0.38 -0.00 0.55 0.00 -2.21 0.00 0.00 174.62 173.34 1rwg s ALA 500 N -0.50 -1.41 -0.37 11.08 0.00 -0.62 -2.11 121.76 127.83 1rwg s ALA 500 Ca -0.01 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 1rwg s ALA 500 Cb -0.05 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1rwg s ALA 500 CO 0.00 -0.31 0.17 1.03 0.00 0.00 0.00 175.76 176.65 1rwg s ARG 501 N -0.84 2.56 -0.15 0.00 0.52 -0.09 -0.55 118.95 120.39 1rwg s ARG 501 Ca -0.09 -1.34 -0.03 0.00 -0.52 0.00 0.00 55.73 53.76 1rwg s ARG 501 Cb -0.02 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 1rwg s ARG 501 CO 0.06 -0.81 -0.06 0.15 0.02 0.00 0.00 175.30 174.67 1rwg s LYS 502 N 1.39 3.59 0.14 3.54 1.02 -0.24 -0.85 119.74 128.33 1rwg s LYS 502 Ca 0.01 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.49 1rwg s LYS 502 Cb -0.21 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1rwg s LYS 502 CO 0.02 0.20 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.41 1rwg s SER 503 N 0.44 1.99 -0.04 2.83 0.01 0.18 -0.07 113.70 119.04 1rwg s SER 503 Ca -0.05 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.33 1rwg s SER 503 Cb -0.15 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1rwg s SER 503 CO 0.03 -0.20 -0.04 0.26 0.41 0.00 0.00 173.24 173.71 1rwg s TRP 504 N -2.56 0.64 -0.22 2.43 0.51 0.24 -1.26 118.94 118.73 1rwg s TRP 504 Ca 0.12 -0.15 0.02 0.00 -2.12 0.00 0.00 56.10 53.97 1rwg s TRP 504 Cb -0.02 -0.58 0.05 0.00 -0.81 0.00 0.00 33.47 32.10 1rwg s TRP 504 CO 0.03 -0.16 -0.12 -0.06 -0.51 0.00 0.00 176.95 176.13 1rwg s PHE 505 N 0.83 2.79 -0.21 -1.98 0.40 0.50 -0.71 117.98 119.60 1rwg s PHE 505 Ca -0.11 -1.88 0.01 0.00 -0.60 0.00 0.00 56.93 54.36 1rwg s PHE 505 Cb -0.13 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1rwg s PHE 505 CO -0.00 -0.81 -0.16 0.08 0.70 0.00 0.00 175.22 175.03 1rwg s VAL 506 N 1.27 2.14 0.00 -0.44 1.01 -0.37 -0.39 120.40 123.62 1rwg s VAL 506 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1rwg s VAL 506 Cb -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1rwg s VAL 506 CO -0.08 0.34 0.00 -1.54 0.00 0.00 0.00 175.10 173.83 1rwg n SER 507 N 4.56 0.00 0.11 3.32 3.41 -0.20 -0.76 113.62 124.06 1rwg n SER 507 Ca -0.19 -0.71 0.11 0.00 -0.26 0.00 0.00 58.87 57.83 1rwg n SER 507 Cb 0.47 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.88 1rwg n SER 507 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rwg n GLY 508 N 5.00 -1.19 0.33 5.00 0.00 -1.17 -4.36 105.19 108.81 1rwg n GLY 508 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1rwg n GLY 508 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rwg n ASP 509 N -2.10 1.41 -4.46 1.61 8.00 -1.26 -4.43 116.55 115.32 1rwg n ASP 509 Ca 0.02 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.24 1rwg n ASP 509 Cb 0.20 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 1rwg n ASP 509 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rwg s VAL 510 N -1.57 2.66 -0.21 2.53 -7.23 -1.26 -4.31 120.40 111.01 1rwg s VAL 510 Ca 0.00 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1rwg s VAL 510 Cb 0.00 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 1rwg s VAL 510 CO 0.00 0.03 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.85 1rwg s THR 511 N -1.29 3.02 -0.22 5.32 2.01 -0.41 -1.04 115.64 123.03 1rwg s THR 511 Ca 0.18 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 1rwg s THR 511 Cb -0.10 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1rwg s THR 511 CO 0.10 0.46 0.26 -0.69 -0.69 0.00 0.00 174.62 174.05 1rwg s VAL 512 N 1.40 5.29 -0.26 3.82 1.01 0.48 -0.83 120.40 131.31 1rwg s VAL 512 Ca 0.05 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 1rwg s VAL 512 Cb -0.14 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1rwg s VAL 512 CO -0.06 0.31 -0.06 0.00 0.00 0.00 0.00 175.10 175.29 1rwg s LEU 514 N 1.28 2.80 0.00 0.00 1.43 -0.39 -1.22 118.68 122.59 1rwg s LEU 514 Ca -0.02 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1rwg s LEU 514 Cb -0.17 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1rwg s LEU 514 CO -0.04 0.31 -0.05 -0.83 0.23 0.00 0.00 176.35 175.98 1rwg s GLY 515 N -1.02 0.24 0.20 -3.19 0.00 0.07 -0.65 107.32 102.98 1rwg s GLY 515 Ca 0.13 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.51 1rwg s GLY 515 CO 0.03 -0.23 0.33 0.00 0.00 0.00 0.00 173.10 173.22 1rwg s ALA 516 N -0.27 0.12 -1.46 3.20 0.00 -0.03 -1.43 121.76 121.90 1rwg s ALA 516 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 1rwg s ALA 516 Cb -0.03 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.17 1rwg s ALA 516 CO -0.00 -0.72 0.95 -3.47 0.00 0.00 0.00 175.76 172.52 1rwg n ASP 517 N -0.29 -5.58 -4.70 0.00 2.03 -0.79 -0.92 116.55 106.30 1rwg n ASP 517 Ca -0.03 -0.56 -0.40 0.00 0.52 0.00 0.00 54.79 54.31 1rwg n ASP 517 Cb 0.63 -4.45 -0.05 0.00 -0.72 0.00 0.00 41.12 36.54 1rwg n ASP 517 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rwg s ILE 518 N -3.25 5.03 0.28 5.18 1.01 -0.40 -4.35 121.20 124.71 1rwg s ILE 518 Ca 0.55 1.36 -0.18 0.00 0.00 0.00 0.00 60.65 62.38 1rwg s ILE 518 Cb -0.26 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1rwg s ILE 518 CO 0.68 0.19 0.66 -0.94 0.00 0.00 0.00 174.94 175.54 1rwg s SER 519 N 0.92 -0.17 0.23 3.58 1.04 -0.90 -0.91 113.70 117.50 1rwg s SER 519 Ca 0.34 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 1rwg s SER 519 Cb -0.17 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1rwg s SER 519 CO 0.15 -1.33 0.47 0.28 0.98 0.00 0.00 173.24 173.79 1rwg s THR 520 N -3.77 0.01 -1.61 2.02 -1.32 -1.26 -0.89 115.64 108.82 1rwg s THR 520 Ca 0.15 -1.30 0.16 0.00 -1.21 0.00 0.00 61.69 59.48 1rwg s THR 520 Cb -0.05 -2.07 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 1rwg s THR 520 CO 0.08 -0.05 0.89 0.00 -2.21 0.00 0.00 174.62 173.33 1rwg n ALA 521 N -0.36 2.97 0.45 11.08 0.00 -0.69 -4.67 120.51 129.29 1rwg n ALA 521 Ca -0.03 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 52.97 1rwg n ALA 521 Cb 0.62 -0.55 0.28 0.00 0.00 0.00 0.00 19.45 19.80 1rwg n ALA 521 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rwg h SER 522 N 2.15 0.00 0.00 0.00 4.64 -1.82 -3.47 113.55 115.05 1rwg h SER 522 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rwg h SER 522 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1rwg h SER 522 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1rwg n GLY 523 N 1.23 0.72 3.97 -0.77 0.00 -1.26 -5.05 105.19 104.03 1rwg n GLY 523 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1rwg n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg s ALA 524 N -3.00 3.97 0.58 4.61 0.00 -1.26 -4.69 121.76 121.96 1rwg s ALA 524 Ca 0.00 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 1rwg s ALA 524 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1rwg s ALA 524 CO 0.00 -0.10 1.24 0.15 0.00 0.00 0.00 175.76 177.04 1rwg s LYS 525 N -4.29 3.04 -0.05 0.00 1.02 -1.26 -4.39 119.74 113.82 1rwg s LYS 525 Ca 0.44 1.91 0.05 0.00 0.02 0.00 0.00 55.97 58.39 1rwg s LYS 525 Cb -0.10 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1rwg s LYS 525 CO 0.34 -1.17 -0.18 0.08 -0.92 0.00 0.00 175.35 173.49 1rwg s VAL 526 N -1.52 2.71 0.20 3.17 1.01 -1.03 -1.27 120.40 123.67 1rwg s VAL 526 Ca 0.76 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.99 1rwg s VAL 526 Cb -0.33 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1rwg s VAL 526 CO 0.36 0.58 -0.21 -1.61 0.00 0.00 0.00 175.10 174.22 1rwg s GLU 527 N -0.55 1.47 -0.06 2.72 2.02 0.42 -0.14 118.70 124.56 1rwg s GLU 527 Ca 0.08 -1.55 0.04 0.00 0.02 0.00 0.00 54.97 53.56 1rwg s GLU 527 Cb -0.11 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.49 1rwg s GLU 527 CO 0.01 0.33 -0.17 0.99 0.02 0.00 0.00 175.26 176.44 1rwg s THR 528 N -2.04 1.49 -0.46 3.63 2.01 -0.47 -0.67 115.64 119.12 1rwg s THR 528 Ca 0.21 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1rwg s THR 528 Cb -0.06 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.19 1rwg s THR 528 CO 0.10 0.43 0.45 -0.63 -0.69 0.00 0.00 174.62 174.28 1rwg s ILE 529 N 0.32 5.10 0.09 1.82 -1.09 0.02 -0.51 121.20 126.96 1rwg s ILE 529 Ca -0.11 -0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 57.46 1rwg s ILE 529 Cb -0.15 -4.12 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 1rwg s ILE 529 CO 0.04 -0.56 1.55 0.58 -1.23 0.00 0.00 174.94 175.33 1rwg h VAL 530 N 5.76 1.24 -3.10 2.92 2.07 -1.13 0.23 116.25 124.24 1rwg h VAL 530 Ca -0.27 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1rwg h VAL 530 Cb 1.11 1.27 -0.12 0.00 -1.52 0.00 0.00 31.29 32.03 1rwg h VAL 530 CO 0.86 0.26 0.14 -0.62 0.02 0.00 0.00 177.57 178.22 1rwg s ASP 531 N -5.87 -0.48 -0.26 0.57 -1.08 -0.83 -4.36 116.67 104.36 1rwg s ASP 531 Ca -0.14 -0.09 -0.03 0.00 -0.52 0.00 0.00 52.55 51.77 1rwg s ASP 531 Cb 0.08 0.57 0.10 0.00 -1.46 0.00 0.00 42.92 42.21 1rwg s ASP 531 CO 0.74 -0.95 0.17 -2.28 0.52 0.00 0.00 175.17 173.37 1rwg s HIS 532 N -3.77 0.05 -0.09 -5.34 5.65 -1.25 -0.94 115.29 109.60 1rwg s HIS 532 Ca 0.02 -0.51 0.02 0.00 0.25 0.00 0.00 55.06 54.84 1rwg s HIS 532 Cb -0.00 -0.71 0.02 0.00 -1.18 0.00 0.00 32.58 30.70 1rwg s HIS 532 CO -0.12 -0.78 -0.13 0.50 -0.65 0.00 0.00 174.74 173.56 1rwg s ARG 533 N 2.19 1.97 -0.09 2.88 3.52 0.32 -4.53 118.95 125.21 1rwg s ARG 533 Ca 0.08 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 1rwg s ARG 533 Cb -0.15 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 1rwg s ARG 533 CO -0.29 -0.06 1.43 1.21 -0.81 0.00 0.00 175.30 176.79 1rwg s ASN 534 N 0.97 6.83 0.00 -2.12 2.47 -1.26 -1.13 114.94 120.69 1rwg s ASN 534 Ca -0.08 1.98 0.24 0.00 0.42 0.00 0.00 52.86 55.42 1rwg s ASN 534 Cb -0.15 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.56 1rwg s ASN 534 CO -0.01 -0.81 1.41 0.18 -3.72 0.00 0.00 177.10 174.15 1rwg n LEU 535 N 6.53 2.89 0.00 3.21 4.77 0.19 -4.94 117.00 129.65 1rwg n LEU 535 Ca 0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1rwg n LEU 535 Cb 0.44 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1rwg n LEU 535 CO 0.59 0.56 0.00 1.41 -1.33 0.00 0.00 177.39 178.62 1rwg n HIS 536 N 1.17 0.00 -0.66 -1.77 8.25 -1.20 -0.52 115.22 120.49 1rwg n HIS 536 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.71 1rwg n HIS 536 Cb 0.55 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.93 1rwg n HIS 536 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1rwg n GLN 537 N 13.55 3.32 -1.65 -0.41 1.13 -1.26 -1.02 117.38 131.03 1rwg n GLN 537 Ca 0.00 -2.68 -0.30 0.00 -1.94 0.00 0.00 57.00 52.08 1rwg n GLN 537 Cb 0.00 -1.74 0.06 0.00 0.11 0.00 0.00 30.24 28.67 1rwg n GLN 537 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1rwg s GLY 538 N -1.29 1.64 -0.34 1.08 0.00 0.32 -5.00 107.32 103.74 1rwg s GLY 538 Ca 0.41 -0.11 0.06 0.00 0.00 0.00 0.00 44.72 45.07 1rwg s GLY 538 CO 0.16 0.24 1.29 -1.14 0.00 0.00 0.00 173.10 173.66 1rwg n SER 539 N -3.18 5.27 -4.63 1.64 3.41 -1.26 -4.88 113.62 109.98 1rwg n SER 539 Ca 0.07 -3.75 -0.50 0.00 -0.26 0.00 0.00 58.87 54.42 1rwg n SER 539 Cb 0.55 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1rwg n SER 539 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rwg n ASN 540 N -0.74 2.28 -4.75 4.04 4.13 -1.26 -4.88 115.26 114.09 1rwg n ASN 540 Ca 0.46 1.10 -0.41 0.00 1.68 0.00 0.00 54.58 57.41 1rwg n ASN 540 Cb 0.93 -1.28 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 1rwg n ASN 540 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1rwg s THR 541 N 1.03 3.52 -0.49 3.41 2.01 -1.26 -4.73 115.64 119.12 1rwg s THR 541 Ca 0.84 1.39 -0.16 0.00 0.31 0.00 0.00 61.69 64.07 1rwg s THR 541 Cb -0.86 -3.88 0.09 0.00 0.01 0.00 0.00 72.50 67.85 1rwg s THR 541 CO 0.45 0.27 0.43 -0.76 -0.69 0.00 0.00 174.62 174.33 1rwg s LEU 542 N -0.83 5.72 0.03 4.42 1.43 -1.26 -0.84 118.68 127.36 1rwg s LEU 542 Ca 0.49 -1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 1rwg s LEU 542 Cb -0.32 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1rwg s LEU 542 CO 0.39 -0.71 0.46 -0.89 0.23 0.00 0.00 176.35 175.83 1rwg s THR 543 N 1.69 4.93 0.32 5.49 2.01 0.78 -1.12 115.64 129.74 1rwg s THR 543 Ca 0.04 0.94 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1rwg s THR 543 Cb -0.25 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1rwg s THR 543 CO 0.06 0.54 0.11 0.42 -0.69 0.00 0.00 174.62 175.06 1rwg s THR 544 N -1.13 0.68 0.36 -0.82 -4.23 -0.41 -0.25 115.64 109.86 1rwg s THR 544 Ca 0.26 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 1rwg s THR 544 Cb -0.17 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.43 1rwg s THR 544 CO 0.16 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.02 1rwg h ALA 545 N 2.14 2.00 0.00 3.99 0.00 -1.93 -2.66 119.26 122.80 1rwg h ALA 545 Ca -0.37 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.35 1rwg h ALA 545 Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1rwg h ALA 545 CO 0.60 -0.38 -1.37 0.00 0.00 0.00 0.00 179.25 178.10 1rwg h ALA 546 N 1.64 0.57 0.00 0.00 0.00 -1.96 -3.50 119.26 116.01 1rwg h ALA 546 Ca 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rwg h ALA 546 Cb 1.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1rwg h ALA 546 CO -0.32 1.43 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1rwg n GLY 547 N 1.46 -1.43 3.21 0.00 0.00 -1.00 -5.14 105.19 102.28 1rwg n GLY 547 Ca -0.09 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 1rwg n GLY 547 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rwg s THR 548 N 0.00 0.37 0.07 2.61 -4.23 -1.26 -1.29 115.64 111.91 1rwg s THR 548 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1rwg s THR 548 Cb 0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1rwg s THR 548 CO 0.00 -0.39 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.12 1rwg s ILE 549 N -3.87 0.50 -1.36 2.99 2.07 -0.28 -4.82 121.20 116.43 1rwg s ILE 549 Ca 0.26 -1.75 -0.03 0.00 -1.41 0.00 0.00 60.65 57.73 1rwg s ILE 549 Cb 0.07 -1.44 0.02 0.00 0.13 0.00 0.00 42.46 41.24 1rwg s ILE 549 CO 0.04 -0.84 0.74 0.00 -1.91 0.00 0.00 174.94 172.98 1rwg n ALA 550 N 0.26 -1.85 0.31 1.50 0.00 -1.26 -4.35 120.51 115.12 1rwg n ALA 550 Ca -0.15 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1rwg n ALA 550 Cb 0.60 -2.47 0.32 0.00 0.00 0.00 0.00 19.45 17.89 1rwg n ALA 550 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rwg h GLY 551 N -1.92 0.00 -7.00 0.00 0.00 -1.91 -3.40 103.07 88.84 1rwg h GLY 551 Ca -0.61 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.07 1rwg h GLY 551 CO 0.59 0.00 -0.66 -1.59 0.00 0.00 0.00 176.54 174.88 1rwg s THR 552 N -3.28 3.99 0.22 4.70 2.01 -1.26 -5.08 115.64 116.95 1rwg s THR 552 Ca 0.06 -0.29 -0.32 0.00 0.31 0.00 0.00 61.69 61.46 1rwg s THR 552 Cb 0.07 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.62 1rwg s THR 552 CO 0.62 0.38 1.61 0.00 -0.69 0.00 0.00 174.62 176.55 1rwg n ALA 553 N 4.73 2.19 -0.09 7.40 0.00 -1.26 -2.69 120.51 130.78 1rwg n ALA 553 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1rwg n ALA 553 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1rwg n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwg n GLY 554 N 3.11 1.09 3.16 0.00 0.00 0.57 -4.99 105.19 108.13 1rwg n GLY 554 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1rwg n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwg s THR 555 N -2.50 3.32 0.33 2.61 2.01 -1.10 -5.04 115.64 115.28 1rwg s THR 555 Ca 0.00 -1.71 -0.28 0.00 0.31 0.00 0.00 61.69 60.01 1rwg s THR 555 Cb 0.00 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 1rwg s THR 555 CO 0.00 -0.45 1.22 0.54 -0.69 0.00 0.00 174.62 175.24 1rwg s VAL 556 N 1.22 3.02 0.13 3.82 0.11 -1.26 -4.71 120.40 122.73 1rwg s VAL 556 Ca 0.03 0.99 0.06 0.00 -2.93 0.00 0.00 61.98 60.13 1rwg s VAL 556 Cb -0.22 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1rwg s VAL 556 CO -0.02 0.21 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.22 1rwg s GLU 557 N -1.78 1.03 -0.14 1.54 2.02 0.00 -4.95 118.70 116.42 1rwg s GLU 557 Ca 0.49 -1.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 1rwg s GLU 557 Cb -0.36 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 1rwg s GLU 557 CO 0.47 0.17 0.02 0.08 0.02 0.00 0.00 175.26 176.02 1rwg s VAL 558 N -2.22 4.42 0.31 2.63 1.01 -1.26 0.13 120.40 125.41 1rwg s VAL 558 Ca 0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1rwg s VAL 558 Cb -0.04 -2.93 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 1rwg s VAL 558 CO 0.03 0.52 1.45 -0.22 0.00 0.00 0.00 175.10 176.88 1rwg s LEU 559 N -0.07 4.37 0.00 3.92 2.96 0.18 -4.99 118.68 125.05 1rwg s LEU 559 Ca 0.04 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 1rwg s LEU 559 Cb -0.13 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1rwg s LEU 559 CO 0.02 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 1rwg n GLY 560 N 1.46 -2.77 0.98 7.98 0.00 -1.26 -4.72 105.19 106.86 1rwg n GLY 560 Ca 0.04 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1rwg n GLY 560 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rwg n ASP 561 N 0.00 3.06 0.32 1.61 8.00 -1.26 -4.05 116.55 124.23 1rwg n ASP 561 Ca 0.00 -1.98 0.19 0.00 0.71 0.00 0.00 54.79 53.71 1rwg n ASP 561 Cb 0.00 -0.05 1.05 0.00 -0.02 0.00 0.00 41.12 42.10 1rwg n ASP 561 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1rwg h GLY 562 N 4.56 0.00 0.00 0.44 0.00 -1.98 -3.47 103.07 102.61 1rwg h GLY 562 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rwg h GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1rwg n ARG 563 N -3.38 -0.15 -4.28 4.80 1.74 -1.26 -4.96 116.66 109.17 1rwg n ARG 563 Ca -0.03 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1rwg n ARG 563 Cb 0.10 -3.78 -0.12 0.00 -1.02 0.00 0.00 32.46 27.64 1rwg n ARG 563 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1rwg s TRP 564 N -2.08 1.73 -0.01 -1.55 1.48 -1.26 -0.28 118.94 116.98 1rwg s TRP 564 Ca 0.00 -0.43 0.01 0.00 -1.06 0.00 0.00 56.10 54.62 1rwg s TRP 564 Cb 0.00 -0.94 0.01 0.00 -1.16 0.00 0.00 33.47 31.37 1rwg s TRP 564 CO 0.00 0.20 -0.01 0.54 -4.06 0.00 0.00 176.95 173.62 1rwg s VAL 565 N -1.26 0.15 -0.11 -0.66 0.11 -0.61 -4.31 120.40 113.70 1rwg s VAL 565 Ca 0.06 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1rwg s VAL 565 Cb -0.10 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1rwg s VAL 565 CO 0.04 0.07 -0.14 -2.28 -3.33 0.00 0.00 175.10 169.46 1rwg s HIS 566 N 0.26 2.77 -0.27 1.54 5.04 0.66 -1.03 115.29 124.27 1rwg s HIS 566 Ca -0.02 -0.60 -0.09 0.00 -1.54 0.00 0.00 55.06 52.81 1rwg s HIS 566 Cb -0.04 -1.80 -0.03 0.00 0.04 0.00 0.00 32.58 30.74 1rwg s HIS 566 CO -0.01 -0.16 0.13 -1.17 -2.34 0.00 0.00 174.74 171.19 1rwg s LEU 567 N 0.18 3.75 0.20 8.88 2.96 -0.05 -0.16 118.68 134.43 1rwg s LEU 567 Ca -0.08 -0.16 -0.33 0.00 -0.22 0.00 0.00 54.13 53.34 1rwg s LEU 567 Cb -0.15 -2.01 -0.13 0.00 0.50 0.00 0.00 46.19 44.39 1rwg s LEU 567 CO 0.05 -0.06 1.54 1.21 -1.32 0.00 0.00 176.35 177.77 1rwg n GLU 568 N 4.99 2.20 -0.17 1.98 2.13 -0.02 -1.14 120.64 130.61 1rwg n GLU 568 Ca -0.15 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1rwg n GLU 568 Cb 0.51 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1rwg n GLU 568 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rwg n GLY 569 N 3.01 1.27 1.13 8.31 0.00 -1.26 -4.69 105.19 112.97 1rwg n GLY 569 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1rwg n GLY 569 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rwg n PHE 570 N -2.00 -0.20 -0.20 1.61 7.35 -0.30 -4.88 117.46 118.84 1rwg n PHE 570 Ca 0.00 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1rwg n PHE 570 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.88 1rwg n PHE 570 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rwg n GLY 571 N 3.32 0.69 3.44 7.13 0.00 -0.81 -0.06 105.19 118.90 1rwg n GLY 571 Ca 0.00 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 1rwg n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rwg s GLY 572 N 0.00 1.73 0.03 -0.02 0.00 -0.61 -0.87 107.32 107.58 1rwg s GLY 572 Ca 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.11 1rwg s GLY 572 CO 0.00 -1.69 -0.12 -0.19 0.00 0.00 0.00 173.10 171.10 1rwg s TYR 573 N -1.77 1.05 -0.09 1.90 1.51 -0.20 -0.40 117.35 119.35 1rwg s TYR 573 Ca 0.22 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1rwg s TYR 573 Cb -0.08 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1rwg s TYR 573 CO 0.11 0.01 0.24 0.00 -1.11 0.00 0.00 175.55 174.80 1rwg s ALA 574 N -0.79 -0.60 0.03 3.71 0.00 -0.63 -1.57 121.76 121.92 1rwg s ALA 574 Ca 0.00 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 1rwg s ALA 574 Cb -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1rwg s ALA 574 CO 0.01 -0.12 0.77 -1.64 0.00 0.00 0.00 175.76 174.78 1rwg s MET 575 N 0.22 4.50 -0.05 0.00 -1.94 0.61 -0.20 119.30 122.44 1rwg s MET 575 Ca -0.01 1.07 0.16 0.00 -1.71 0.00 0.00 55.69 55.20 1rwg s MET 575 Cb -0.02 -3.38 0.51 0.00 2.01 0.00 0.00 34.83 33.94 1rwg s MET 575 CO -0.00 0.22 1.43 1.28 -0.01 0.00 0.00 175.02 177.94 1rwg n LEU 576 N 3.03 3.73 0.00 -0.03 4.77 0.38 -4.93 117.00 123.95 1rwg n LEU 576 Ca -0.02 -2.25 -0.09 0.00 -0.03 0.00 0.00 56.01 53.62 1rwg n LEU 576 Cb 0.50 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1rwg n LEU 576 CO 0.48 0.80 0.01 -0.90 -1.33 0.00 0.00 177.39 176.44 1rwg n ASP 577 N 0.76 -0.52 -1.62 -1.43 5.68 -1.23 -4.90 116.55 113.30 1rwg n ASP 577 Ca 0.19 -2.10 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 1rwg n ASP 577 Cb 0.65 1.08 0.30 0.00 -1.14 0.00 0.00 41.12 42.02 1rwg n ASP 577 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1rwg n ASP 578 N -2.12 4.62 -4.77 -1.12 5.75 -1.26 -4.96 116.55 112.69 1rwg n ASP 578 Ca 0.03 -2.76 -0.38 0.00 -0.01 0.00 0.00 54.79 51.67 1rwg n ASP 578 Cb 0.32 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1rwg n ASP 578 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1rwg s SER 579 N -0.62 6.58 0.26 -1.12 0.01 -1.26 -4.97 113.70 112.58 1rwg s SER 579 Ca 0.43 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.63 1rwg s SER 579 Cb 0.33 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1rwg s SER 579 CO 0.12 -0.63 1.40 -2.84 0.41 0.00 0.00 173.24 171.70 1rwg s PRO 580 N -2.38 4.29 -0.28 12.44 0.02 -1.26 -5.01 135.00 142.83 1rwg s PRO 580 Ca 0.58 2.27 -0.09 0.00 0.02 0.00 0.00 61.00 63.78 1rwg s PRO 580 Cb -0.28 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 1rwg s PRO 580 CO 0.34 -0.36 0.11 -1.17 -0.33 0.00 0.00 177.00 175.59 1rwg s LEU 581 N -0.68 3.76 -0.06 -5.54 2.96 -1.26 -4.49 118.68 113.37 1rwg s LEU 581 Ca 0.57 -0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 1rwg s LEU 581 Cb -0.41 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 1rwg s LEU 581 CO 0.45 -0.10 0.56 -1.00 -1.32 0.00 0.00 176.35 174.95 1rwg s HIS 582 N 1.63 3.60 -0.10 5.38 3.76 0.06 -0.65 115.29 128.97 1rwg s HIS 582 Ca 0.06 1.09 0.01 0.00 -0.15 0.00 0.00 55.06 56.07 1rwg s HIS 582 Cb -0.16 -2.61 0.02 0.00 1.11 0.00 0.00 32.58 30.94 1rwg s HIS 582 CO 0.05 0.25 -0.13 0.08 -0.85 0.00 0.00 174.74 174.15 1rwg s VAL 583 N 0.24 1.31 -0.10 -0.90 1.01 0.12 -0.76 120.40 121.33 1rwg s VAL 583 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1rwg s VAL 583 Cb -0.17 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1rwg s VAL 583 CO 0.15 0.41 -0.09 -0.22 0.00 0.00 0.00 175.10 175.35 1rwg s LEU 584 N 1.08 1.31 -0.18 3.92 2.96 0.34 -0.82 118.68 127.29 1rwg s LEU 584 Ca -0.06 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1rwg s LEU 584 Cb -0.14 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 1rwg s LEU 584 CO -0.02 -0.08 0.45 -0.60 -1.32 0.00 0.00 176.35 174.79 1rwg s ARG 585 N 1.39 4.22 0.04 1.98 3.52 -1.26 -0.49 118.95 128.35 1rwg s ARG 585 Ca -0.01 0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1rwg s ARG 585 Cb -0.13 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 1rwg s ARG 585 CO -0.05 -0.03 0.01 -1.83 -0.81 0.00 0.00 175.30 172.60 1rwg s GLU 586 N 1.25 0.51 -0.17 5.12 -1.05 -0.08 -0.32 118.70 123.97 1rwg s GLU 586 Ca 0.22 -0.89 -0.03 0.00 -0.15 0.00 0.00 54.97 54.12 1rwg s GLU 586 Cb -0.15 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 1rwg s GLU 586 CO 0.09 -0.10 -0.05 0.99 0.95 0.00 0.00 175.26 177.13 1rwg s THR 587 N -2.77 3.59 0.08 1.83 2.01 -1.26 -0.15 115.64 118.97 1rwg s THR 587 Ca -0.04 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.60 1rwg s THR 587 Cb -0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1rwg s THR 587 CO -0.06 0.47 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.99 1rwg s ARG 588 N 0.74 1.37 0.10 4.92 0.52 0.16 -4.97 118.95 121.78 1rwg s ARG 588 Ca -0.02 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1rwg s ARG 588 Cb -0.15 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 1rwg s ARG 588 CO 0.02 0.40 -0.18 -1.12 0.02 0.00 0.00 175.30 174.44 1rwg s SER 589 N -1.62 2.17 -0.18 0.23 0.01 -1.26 -0.64 113.70 112.40 1rwg s SER 589 Ca 0.09 -0.68 -0.35 0.00 1.31 0.00 0.00 55.95 56.32 1rwg s SER 589 Cb -0.10 -0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.18 1rwg s SER 589 CO 0.04 -0.02 1.38 -0.83 0.41 0.00 0.00 173.24 174.22 1rwg s GLY 590 N -1.93 -0.34 0.19 3.44 0.00 -0.29 -4.85 107.32 103.54 1rwg s GLY 590 Ca 0.04 1.41 0.08 0.00 0.00 0.00 0.00 44.72 46.25 1rwg s GLY 590 CO 0.03 0.41 0.02 -1.35 0.00 0.00 0.00 173.10 172.21 1rwg s SER 591 N -2.49 4.81 0.53 1.64 1.04 -1.26 -0.58 113.70 117.39 1rwg s SER 591 Ca 0.13 -0.42 0.26 0.00 0.48 0.00 0.00 55.95 56.40 1rwg s SER 591 Cb 0.03 -1.03 1.51 0.00 0.10 0.00 0.00 66.02 66.63 1rwg s SER 591 CO -0.04 0.07 2.12 -0.50 0.98 0.00 0.00 173.24 175.86 1rwg h TRP 592 N 2.48 0.00 0.00 5.02 4.06 -1.69 -0.44 115.95 125.37 1rwg h TRP 592 Ca -0.47 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.48 1rwg h TRP 592 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1rwg h TRP 592 CO 0.63 0.09 -0.01 0.66 -3.56 0.00 0.00 178.44 176.24 1rwg h SER 593 N 0.00 0.00 1.01 -3.49 4.64 -1.11 -1.38 113.55 113.22 1rwg h SER 593 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rwg h SER 593 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1rwg h SER 593 CO 0.01 0.01 0.00 1.23 -0.87 0.00 0.00 176.83 177.21 1rwg h GLY 594 N 0.27 0.00 0.00 -0.77 0.00 -1.36 -3.30 103.07 97.91 1rwg h GLY 594 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rwg h GLY 594 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 1rwg n VAL 595 N -2.80 0.00 -3.69 4.60 0.24 -0.62 -4.96 118.33 111.10 1rwg n VAL 595 Ca 0.01 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 1rwg n VAL 595 Cb 0.30 1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 1rwg n VAL 595 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rwg s ASN 596 N -0.31 -0.61 0.63 -1.34 3.84 -0.63 -2.52 114.94 114.00 1rwg s ASN 596 Ca 0.00 1.03 0.36 0.00 0.21 0.00 0.00 52.86 54.46 1rwg s ASN 596 Cb 0.00 0.92 2.08 0.00 -0.55 0.00 0.00 41.25 43.70 1rwg s ASN 596 CO 0.00 -0.20 2.29 -0.29 -2.79 0.00 0.00 177.10 176.11 1rwg h ILE 597 N 5.31 0.29 -0.02 -5.21 6.09 -1.37 -0.08 117.51 122.51 1rwg h ILE 597 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1rwg h ILE 597 Cb 1.19 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1rwg h ILE 597 CO 0.26 0.00 -0.09 0.59 -3.07 0.00 0.00 178.15 175.84 1rwg n ASN 598 N -3.50 2.47 -4.78 2.19 3.02 -1.26 -4.99 115.26 108.41 1rwg n ASN 598 Ca -0.03 -1.77 -0.34 0.00 -0.03 0.00 0.00 54.58 52.41 1rwg n ASN 598 Cb 0.10 0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1rwg n ASN 598 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1rwg s GLY 599 N -2.10 2.45 0.75 7.41 0.00 -0.04 -4.95 107.32 110.84 1rwg s GLY 599 Ca 0.28 0.67 -0.12 0.00 0.00 0.00 0.00 44.72 45.55 1rwg s GLY 599 CO 0.36 1.02 1.12 -1.35 0.00 0.00 0.00 173.10 174.25 1rwg s SER 600 N -2.10 4.40 0.01 1.64 1.04 -1.26 -3.59 113.70 113.83 1rwg s SER 600 Ca 0.69 2.01 0.26 0.00 0.48 0.00 0.00 55.95 59.40 1rwg s SER 600 Cb -0.21 -2.55 0.78 0.00 0.10 0.00 0.00 66.02 64.15 1rwg s SER 600 CO 0.30 -2.11 1.61 0.00 0.98 0.00 0.00 173.24 174.02 1rwg n ALA 601 N -3.19 3.03 -1.63 5.32 0.00 -1.26 -0.96 120.51 121.82 1rwg n ALA 601 Ca 0.10 -0.24 -0.47 0.00 0.00 0.00 0.00 53.44 52.83 1rwg n ALA 601 Cb 0.52 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1rwg n ALA 601 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rwg n THR 602 N -1.55 0.50 -3.14 0.00 -1.04 -1.26 -4.81 114.28 102.99 1rwg n THR 602 Ca 0.06 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1rwg n THR 602 Cb 0.34 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 1rwg n THR 602 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1rwg s VAL 603 N 0.27 5.04 -0.08 12.58 1.01 -1.26 -4.18 120.40 133.79 1rwg s VAL 603 Ca 0.75 1.17 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 1rwg s VAL 603 Cb -0.76 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1rwg s VAL 603 CO 0.47 0.15 0.13 -1.10 0.00 0.00 0.00 175.10 174.74 1rwg s GLN 604 N 1.67 3.36 -0.09 2.72 -1.52 0.26 -4.92 119.66 121.14 1rwg s GLN 604 Ca 0.29 -0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.48 1rwg s GLN 604 Cb -0.16 -3.09 0.01 0.00 -0.22 0.00 0.00 33.01 29.55 1rwg s GLN 604 CO 0.11 0.73 -0.15 -1.14 -0.25 0.00 0.00 175.29 174.60 1rwg s GLN 605 N -1.32 2.06 0.02 2.91 0.74 -1.26 -1.14 119.66 121.68 1rwg s GLN 605 Ca 0.19 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1rwg s GLN 605 Cb -0.12 -1.71 -0.02 0.00 1.10 0.00 0.00 33.01 32.26 1rwg s GLN 605 CO 0.09 -0.01 -0.05 1.03 -0.55 0.00 0.00 175.29 175.80 1rwg s ARG 606 N 0.81 0.38 0.05 1.67 1.81 0.18 -4.91 118.95 118.94 1rwg s ARG 606 Ca -0.11 -0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 53.18 1rwg s ARG 606 Cb -0.16 -0.13 -0.06 0.00 -0.45 0.00 0.00 34.95 34.16 1rwg s ARG 606 CO 0.02 0.01 0.48 -0.80 -0.68 0.00 0.00 175.30 174.33 1rwg s ASN 607 N -1.21 6.89 0.08 0.23 0.01 -0.19 -0.66 114.94 120.08 1rwg s ASN 607 Ca -0.10 1.07 0.05 0.00 -0.71 0.00 0.00 52.86 53.18 1rwg s ASN 607 Cb -0.08 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 1rwg s ASN 607 CO -0.00 0.27 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.35 1rwg s PHE 608 N -1.15 1.28 -0.19 2.20 0.40 0.79 0.55 117.98 121.86 1rwg s PHE 608 Ca 0.28 -0.46 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1rwg s PHE 608 Cb -0.17 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1rwg s PHE 608 CO 0.16 0.08 0.08 0.00 0.70 0.00 0.00 175.22 176.24 1rwg s ALA 609 N -1.32 3.48 -0.13 5.36 0.00 -0.29 -0.90 121.76 127.96 1rwg s ALA 609 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1rwg s ALA 609 Cb -0.10 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1rwg s ALA 609 CO 0.02 0.14 -0.07 0.99 0.00 0.00 0.00 175.76 176.85 1rwg s THR 610 N 0.43 1.04 -0.09 0.00 2.01 0.36 -0.52 115.64 118.87 1rwg s THR 610 Ca 0.05 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1rwg s THR 610 Cb -0.12 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1rwg s THR 610 CO -0.00 0.28 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.23 1rwg s LEU 611 N 1.69 2.01 0.08 4.42 1.02 -0.11 -0.51 118.68 127.28 1rwg s LEU 611 Ca 0.03 -0.51 -0.16 0.00 0.02 0.00 0.00 54.13 53.51 1rwg s LEU 611 Cb -0.14 -1.31 0.03 0.00 0.02 0.00 0.00 46.19 44.80 1rwg s LEU 611 CO -0.08 0.14 0.38 -0.72 0.02 0.00 0.00 176.35 176.09 1rwg s TYR 612 N 0.39 -0.20 -0.11 0.29 -0.85 0.06 -0.51 117.35 116.43 1rwg s TYR 612 Ca -0.18 0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1rwg s TYR 612 Cb -0.18 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1rwg s TYR 612 CO 0.08 -0.61 0.08 0.08 -1.52 0.00 0.00 175.55 173.65 1rwg s VAL 613 N -3.09 4.95 -0.27 -3.49 1.01 0.34 -0.76 120.40 119.08 1rwg s VAL 613 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1rwg s VAL 613 Cb 0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1rwg s VAL 613 CO -0.07 0.61 0.12 0.21 0.00 0.00 0.00 175.10 175.97 1rwg s ASN 614 N -0.94 5.44 0.00 3.32 3.84 -1.26 -1.37 114.94 123.97 1rwg s ASN 614 Ca 0.14 -0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.23 1rwg s ASN 614 Cb -0.12 -1.99 1.12 0.00 -0.55 0.00 0.00 41.25 39.72 1rwg s ASN 614 CO 0.03 -0.08 1.81 1.41 -2.79 0.00 0.00 177.10 177.47 1rwg n HIS 615 N 4.97 0.00 -3.22 0.43 8.25 0.80 -5.00 115.22 121.45 1rwg n HIS 615 Ca -0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 1rwg n HIS 615 Cb 0.51 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 1rwg n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rwg n GLY 616 N 1.34 -1.86 3.76 -1.41 0.00 -1.23 -4.36 105.19 101.44 1rwg n GLY 616 Ca 0.12 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1rwg n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwg s VAL 617 N -0.39 4.16 -1.37 1.61 1.01 -1.26 -2.47 120.40 121.69 1rwg s VAL 617 Ca 0.00 1.94 -0.04 0.00 0.00 0.00 0.00 61.98 63.88 1rwg s VAL 617 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1rwg s VAL 617 CO 0.00 0.40 0.76 0.61 0.00 0.00 0.00 175.10 176.87 1rwg n GLY 618 N 1.23 -0.34 3.76 4.51 0.00 -1.26 -4.93 105.19 108.17 1rwg n GLY 618 Ca -0.01 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1rwg n GLY 618 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rwg s PRO 619 N -6.17 3.47 -0.23 1.61 0.04 -1.26 -4.98 135.00 127.48 1rwg s PRO 619 Ca 0.17 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.54 1rwg s PRO 619 Cb -0.09 -2.49 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1rwg s PRO 619 CO 0.82 -0.95 -0.13 0.08 0.04 0.00 0.00 177.00 176.86 1rwg s VAL 620 N -1.26 2.33 -1.42 -0.36 1.01 -1.26 -4.47 120.40 114.97 1rwg s VAL 620 Ca 0.65 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1rwg s VAL 620 Cb -0.42 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1rwg s VAL 620 CO 0.52 0.26 0.41 0.00 0.00 0.00 0.00 175.10 176.29 1rwg n ALA 621 N 4.57 -1.99 -0.87 5.51 0.00 -1.16 -4.92 120.51 121.64 1rwg n ALA 621 Ca -0.17 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1rwg n ALA 621 Cb 0.47 -1.50 0.15 0.00 0.00 0.00 0.00 19.45 18.57 1rwg n ALA 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwg n GLY 622 N -1.99 -0.28 3.43 0.00 0.00 -0.09 -4.32 105.19 101.94 1rwg n GLY 622 Ca -0.30 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1rwg n GLY 622 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rwg s SER 623 N -2.38 -0.13 0.13 1.61 1.04 -1.26 -1.27 113.70 111.44 1rwg s SER 623 Ca 0.70 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1rwg s SER 623 Cb -0.26 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1rwg s SER 623 CO 0.55 -0.97 0.29 -0.72 0.98 0.00 0.00 173.24 173.37 1rwg s TYR 624 N -3.91 0.14 -0.28 5.02 -0.85 -0.52 -4.95 117.35 112.01 1rwg s TYR 624 Ca 0.12 -0.52 -0.07 0.00 -0.52 0.00 0.00 57.07 56.08 1rwg s TYR 624 Cb 0.01 0.04 0.14 0.00 0.38 0.00 0.00 41.96 42.53 1rwg s TYR 624 CO -0.02 -0.67 0.58 0.00 -1.52 0.00 0.00 175.55 173.92 1rwg s ALA 625 N -3.89 -1.91 0.31 9.51 0.00 -1.26 -0.75 121.76 123.78 1rwg s ALA 625 Ca 0.09 2.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 1rwg s ALA 625 Cb 0.03 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1rwg s ALA 625 CO -0.07 -1.03 0.55 1.52 0.00 0.00 0.00 175.76 176.73 1rwg s TYR 626 N 2.82 0.55 0.06 0.00 -0.85 -0.35 -0.47 117.35 119.10 1rwg s TYR 626 Ca 0.03 -0.93 -0.00 0.00 -0.52 0.00 0.00 57.07 55.65 1rwg s TYR 626 Cb -0.13 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 1rwg s TYR 626 CO -0.18 -1.16 -0.04 0.00 -1.52 0.00 0.00 175.55 172.64 1rwg s MET 627 N -3.34 0.62 -0.05 -3.49 0.23 0.72 -0.17 119.30 113.81 1rwg s MET 627 Ca 0.24 -1.17 0.04 0.00 -1.03 0.00 0.00 55.69 53.77 1rwg s MET 627 Cb -0.02 0.11 -0.00 0.00 -1.53 0.00 0.00 34.83 33.39 1rwg s MET 627 CO 0.13 -0.08 -0.18 0.08 -2.03 0.00 0.00 175.02 172.94 1rwg s VAL 628 N -3.54 1.54 -0.56 5.16 1.01 -0.01 -1.60 120.40 122.40 1rwg s VAL 628 Ca 0.05 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1rwg s VAL 628 Cb 0.05 -1.33 0.16 0.00 0.00 0.00 0.00 36.38 35.27 1rwg s VAL 628 CO -0.08 0.44 0.41 0.00 0.00 0.00 0.00 175.10 175.87 1rwg s ALA 629 N 0.05 2.74 0.28 5.51 0.00 0.47 -1.29 121.76 129.51 1rwg s ALA 629 Ca -0.05 -3.18 -0.30 0.00 0.00 0.00 0.00 51.96 48.43 1rwg s ALA 629 Cb -0.12 -1.93 -0.11 0.00 0.00 0.00 0.00 23.12 20.96 1rwg s ALA 629 CO 0.03 -2.05 1.58 -1.25 0.00 0.00 0.00 175.76 174.07 1rwg s PRO 630 N -0.68 4.14 0.00 0.00 0.04 -1.26 -1.57 135.00 135.68 1rwg s PRO 630 Ca 0.27 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1rwg s PRO 630 Cb -0.04 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1rwg s PRO 630 CO -0.16 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1rwg n GLY 631 N 2.29 1.35 3.75 0.56 0.00 0.91 -4.92 105.19 109.14 1rwg n GLY 631 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1rwg n GLY 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg s ALA 632 N -3.64 3.50 1.01 4.61 0.00 -0.79 -4.87 121.76 121.57 1rwg s ALA 632 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1rwg s ALA 632 Cb 0.00 -3.46 0.19 0.00 0.00 0.00 0.00 23.12 19.86 1rwg s ALA 632 CO 0.00 -0.51 1.09 -1.54 0.00 0.00 0.00 175.76 174.80 1rwg s SER 633 N -0.10 2.51 0.24 0.00 1.04 -1.26 -4.18 113.70 111.95 1rwg s SER 633 Ca 0.52 1.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.11 1rwg s SER 633 Cb -0.37 -1.88 0.30 0.00 0.10 0.00 0.00 66.02 64.17 1rwg s SER 633 CO 0.43 -3.21 1.88 0.58 0.98 0.00 0.00 173.24 173.91 1rwg h VAL 634 N -1.94 1.13 -0.52 5.02 2.07 -1.96 0.32 116.25 120.37 1rwg h VAL 634 Ca -0.55 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1rwg h VAL 634 Cb 1.33 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1rwg h VAL 634 CO 0.57 0.20 0.14 0.44 0.02 0.00 0.00 177.57 178.94 1rwg h ASP 635 N 1.11 0.77 -0.18 0.57 3.32 -1.99 -0.45 116.42 119.57 1rwg h ASP 635 Ca 0.37 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1rwg h ASP 635 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1rwg h ASP 635 CO -0.13 0.79 -0.32 0.25 -1.72 0.00 0.00 179.24 178.11 1rwg h LEU 636 N 0.71 0.71 -0.16 1.55 5.85 -1.84 -2.82 115.31 119.31 1rwg h LEU 636 Ca 0.16 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1rwg h LEU 636 Cb 0.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1rwg h LEU 636 CO -0.00 0.98 0.02 0.74 -0.34 0.00 0.00 178.44 179.83 1rwg h THR 637 N 0.58 1.23 -0.70 1.05 2.02 -0.46 -2.45 112.91 114.18 1rwg h THR 637 Ca 0.06 -0.76 0.18 0.00 0.77 0.00 0.00 66.41 66.67 1rwg h THR 637 Cb 0.83 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1rwg h THR 637 CO 0.07 0.23 0.49 -0.09 0.37 0.00 0.00 175.52 176.59 1rwg h ARG 638 N 0.03 0.13 -0.00 6.66 2.43 -1.05 -2.28 114.38 120.29 1rwg h ARG 638 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rwg h ARG 638 Cb 0.33 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1rwg h ARG 638 CO 0.00 0.09 -0.38 1.63 -1.51 0.00 0.00 179.97 179.80 1rwg n LYS 639 N -4.39 0.41 -0.33 0.20 5.02 -0.96 -4.57 118.16 113.55 1rwg n LYS 639 Ca 0.14 -0.24 0.09 0.00 -2.02 0.00 0.00 58.31 56.28 1rwg n LYS 639 Cb 0.68 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.49 1rwg n LYS 639 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rwg h LEU 640 N 0.58 0.82 -1.52 -0.35 3.38 -1.01 -1.75 115.31 115.47 1rwg h LEU 640 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rwg h LEU 640 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1rwg h LEU 640 CO 0.00 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.13 1rwg n LEU 641 N -4.61 2.25 -4.88 1.67 4.77 -1.26 -4.57 117.00 110.37 1rwg n LEU 641 Ca 0.19 -1.02 -0.34 0.00 -0.03 0.00 0.00 56.01 54.80 1rwg n LEU 641 Cb 0.42 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1rwg n LEU 641 CO 0.28 0.51 -0.02 -1.61 -1.33 0.00 0.00 177.39 175.22 1rwg s GLU 642 N -1.60 3.63 -0.54 3.23 0.41 -0.66 -4.48 118.70 118.69 1rwg s GLU 642 Ca 0.32 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1rwg s GLU 642 Cb 0.18 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1rwg s GLU 642 CO 0.25 0.62 0.00 0.41 -0.49 0.00 0.00 175.26 176.05 1rwg n GLY 643 N 1.01 0.76 3.97 -1.39 0.00 -1.26 -3.70 105.19 104.57 1rwg n GLY 643 Ca -0.10 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1rwg n GLY 643 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rwg n ASN 644 N 0.43 -1.83 0.02 1.61 5.15 -1.26 -4.85 115.26 114.53 1rwg n ASN 644 Ca -0.05 -0.94 -0.03 0.00 -0.60 0.00 0.00 54.58 52.96 1rwg n ASN 644 Cb 0.22 -3.28 0.22 0.00 -0.53 0.00 0.00 39.78 36.41 1rwg n ASN 644 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1rwg h LYS 645 N -1.81 0.46 -3.57 1.20 1.57 -1.80 -3.37 116.57 109.25 1rwg h LYS 645 Ca -0.61 -0.16 -0.63 0.00 -1.87 0.00 0.00 60.65 57.38 1rwg h LYS 645 Cb 1.37 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.25 1rwg h LYS 645 CO 0.66 0.66 -0.71 0.71 -0.57 0.00 0.00 179.45 180.20 1rwg s TYR 646 N -4.55 2.67 -0.52 -1.35 1.51 -1.26 -1.11 117.35 112.74 1rwg s TYR 646 Ca -0.07 -2.66 -0.18 0.00 -1.01 0.00 0.00 57.07 53.16 1rwg s TYR 646 Cb 0.14 -2.36 0.08 0.00 -0.11 0.00 0.00 41.96 39.71 1rwg s TYR 646 CO 0.78 -0.82 0.57 0.45 -1.11 0.00 0.00 175.55 175.42 1rwg s SER 647 N 0.49 6.19 0.14 2.29 0.15 0.10 -4.93 113.70 118.13 1rwg s SER 647 Ca 0.15 -1.27 -0.31 0.00 0.70 0.00 0.00 55.95 55.22 1rwg s SER 647 Cb -0.23 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 1rwg s SER 647 CO -0.06 -0.88 1.45 -0.69 1.20 0.00 0.00 173.24 174.26 1rwg s VAL 648 N 2.24 3.03 -0.27 4.45 1.01 -1.26 -0.49 120.40 129.11 1rwg s VAL 648 Ca 0.10 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 1rwg s VAL 648 Cb -0.23 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 1rwg s VAL 648 CO 0.08 0.07 -0.30 -0.38 0.00 0.00 0.00 175.10 174.57 1rwg n ILE 649 N 3.78 1.53 -3.66 2.22 5.41 -0.08 -4.94 119.36 123.62 1rwg n ILE 649 Ca 0.12 -0.37 -0.14 0.00 1.00 0.00 0.00 62.75 63.35 1rwg n ILE 649 Cb 0.41 -1.86 -0.08 0.00 -0.71 0.00 0.00 39.64 37.40 1rwg n ILE 649 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1rwg s ARG 650 N -2.50 0.74 -0.43 0.38 3.52 -1.18 -4.73 118.95 114.76 1rwg s ARG 650 Ca -0.38 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.85 1rwg s ARG 650 Cb 0.14 0.36 0.17 0.00 -1.56 0.00 0.00 34.95 34.05 1rwg s ARG 650 CO 0.51 -0.14 0.47 1.21 -0.81 0.00 0.00 175.30 176.54 1rwg s ASN 651 N -0.18 0.42 0.00 -2.12 2.47 -1.23 -0.87 114.94 113.43 1rwg s ASN 651 Ca -0.04 -2.06 0.00 0.00 0.42 0.00 0.00 52.86 51.18 1rwg s ASN 651 Cb -0.03 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.44 1rwg s ASN 651 CO 0.03 -0.17 0.00 -0.90 -3.72 0.00 0.00 177.10 172.34 1rwg n ASP 652 N 3.46 0.00 0.13 -4.21 5.68 -0.70 -4.86 116.55 116.04 1rwg n ASP 652 Ca 0.19 -0.93 0.11 0.00 -0.50 0.00 0.00 54.79 53.66 1rwg n ASP 652 Cb 0.49 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.96 1rwg n ASP 652 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rwg n ALA 653 N -3.00 1.41 -0.06 2.12 0.00 -1.26 -2.80 120.51 116.92 1rwg n ALA 653 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1rwg n ALA 653 Cb 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 1rwg n ALA 653 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rwg h THR 654 N 0.00 0.90 -2.69 0.00 2.02 -1.95 -3.40 112.91 107.79 1rwg h THR 654 Ca 0.00 -2.26 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 1rwg h THR 654 Cb 0.21 2.42 -0.14 0.00 -1.74 0.00 0.00 68.15 68.90 1rwg h THR 654 CO 0.00 0.54 0.24 0.00 0.37 0.00 0.00 175.52 176.66 1rwg s ALA 655 N -2.43 -1.66 -0.05 6.16 0.00 -1.12 -0.41 121.76 122.25 1rwg s ALA 655 Ca -0.25 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1rwg s ALA 655 Cb 0.05 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1rwg s ALA 655 CO 0.67 -0.67 -0.05 -0.65 0.00 0.00 0.00 175.76 175.07 1rwg s GLN 656 N -3.08 0.89 -0.05 0.00 -0.21 -0.20 -1.72 119.66 115.28 1rwg s GLN 656 Ca -0.01 -0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 1rwg s GLN 656 Cb -0.01 -0.89 0.05 0.00 1.00 0.00 0.00 33.01 33.17 1rwg s GLN 656 CO -0.07 -0.08 0.52 0.45 -2.12 0.00 0.00 175.29 173.99 1rwg s SER 657 N 0.92 -0.47 -0.02 5.90 0.15 -0.05 -0.51 113.70 119.62 1rwg s SER 657 Ca -0.11 0.51 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 1rwg s SER 657 Cb -0.14 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1rwg s SER 657 CO 0.00 -0.51 0.10 0.54 1.20 0.00 0.00 173.24 174.58 1rwg s VAL 658 N -1.10 0.04 -0.16 4.45 0.11 -0.48 -0.90 120.40 122.36 1rwg s VAL 658 Ca -0.11 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1rwg s VAL 658 Cb -0.02 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1rwg s VAL 658 CO 0.07 -0.18 0.02 -0.70 -3.33 0.00 0.00 175.10 170.97 1rwg s GLU 659 N -0.59 3.73 -0.46 1.54 2.12 0.36 -0.88 118.70 124.52 1rwg s GLU 659 Ca -0.07 -0.41 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 1rwg s GLU 659 Cb -0.04 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.33 1rwg s GLU 659 CO 0.00 0.33 0.69 -0.06 -0.54 0.00 0.00 175.26 175.68 1rwg s PHE 660 N 0.18 3.03 0.04 5.30 0.40 0.11 -0.73 117.98 126.31 1rwg s PHE 660 Ca 0.02 -0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 56.02 1rwg s PHE 660 Cb -0.13 -3.48 -0.17 0.00 0.51 0.00 0.00 43.02 39.75 1rwg s PHE 660 CO 0.02 -0.95 1.53 -0.22 0.70 0.00 0.00 175.22 176.29 1rwg h LYS 661 N 8.95 -0.10 -0.41 0.44 3.64 -1.36 -1.18 116.57 126.55 1rwg h LYS 661 Ca -0.26 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1rwg h LYS 661 Cb 1.09 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1rwg h LYS 661 CO 0.93 0.10 0.09 1.15 -2.27 0.00 0.00 179.45 179.46 1rwg h THR 662 N -0.30 1.23 0.00 1.00 2.02 -1.93 -2.16 112.91 112.78 1rwg h THR 662 Ca -0.01 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1rwg h THR 662 Cb 0.26 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1rwg h THR 662 CO 0.02 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.19 1rwg n ALA 663 N -2.36 2.25 -4.21 6.16 0.00 -1.19 -4.91 120.51 116.26 1rwg n ALA 663 Ca -0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1rwg n ALA 663 Cb 0.21 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 1rwg n ALA 663 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rwg n LYS 664 N -1.16 -1.80 -4.00 0.00 5.02 -0.48 -4.95 118.16 110.79 1rwg n LYS 664 Ca 0.14 0.21 -0.15 0.00 -2.02 0.00 0.00 58.31 56.49 1rwg n LYS 664 Cb 0.13 -4.05 -0.15 0.00 -0.02 0.00 0.00 35.03 30.95 1rwg n LYS 664 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rwg s THR 665 N -4.11 0.20 -0.02 -0.18 2.01 -0.99 -4.29 115.64 108.27 1rwg s THR 665 Ca 0.10 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1rwg s THR 665 Cb -0.06 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1rwg s THR 665 CO 0.96 0.08 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.92 1rwg s THR 666 N 0.19 2.90 0.03 -0.82 2.01 -0.35 -0.71 115.64 118.89 1rwg s THR 666 Ca -0.02 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1rwg s THR 666 Cb -0.04 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1rwg s THR 666 CO -0.00 0.51 -0.15 0.00 -0.69 0.00 0.00 174.62 174.28 1rwg s ALA 667 N -0.79 1.27 -0.02 7.40 0.00 -0.06 -0.96 121.76 128.60 1rwg s ALA 667 Ca 0.13 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1rwg s ALA 667 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1rwg s ALA 667 CO 0.02 0.27 0.31 0.00 0.00 0.00 0.00 175.76 176.36 1rwg s ALA 668 N -0.73 -0.78 0.01 0.00 0.00 0.53 -1.38 121.76 119.40 1rwg s ALA 668 Ca 0.03 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1rwg s ALA 668 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1rwg s ALA 668 CO 0.01 -0.25 -0.25 0.95 0.00 0.00 0.00 175.76 176.22 1rwg s THR 669 N -1.23 1.99 -0.12 0.00 -4.23 0.33 -0.78 115.64 111.60 1rwg s THR 669 Ca -0.13 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1rwg s THR 669 Cb -0.05 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.11 1rwg s THR 669 CO 0.04 0.47 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.03 1rwg s PHE 670 N -0.67 2.66 -0.17 3.99 0.40 0.28 -1.04 117.98 123.43 1rwg s PHE 670 Ca 0.10 -0.99 0.16 0.00 -0.60 0.00 0.00 56.93 55.59 1rwg s PHE 670 Cb -0.10 -1.78 -0.24 0.00 0.51 0.00 0.00 43.02 41.41 1rwg s PHE 670 CO 0.00 -0.40 0.16 0.91 0.70 0.00 0.00 175.22 176.59 1rwg n TRP 671 N 3.67 0.20 -4.19 0.36 7.02 0.45 -2.63 117.44 122.32 1rwg n TRP 671 Ca -0.19 0.07 -0.11 0.00 -1.02 0.00 0.00 57.50 56.25 1rwg n TRP 671 Cb 0.53 -1.04 -0.10 0.00 -2.42 0.00 0.00 31.31 28.28 1rwg n TRP 671 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rwg s LYS 672 N -2.51 0.97 0.32 -0.99 1.02 -1.02 -4.58 119.74 112.95 1rwg s LYS 672 Ca -0.11 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.15 1rwg s LYS 672 Cb 0.07 -0.10 -0.11 0.00 -0.52 0.00 0.00 37.83 37.17 1rwg s LYS 672 CO 0.81 -0.13 1.51 -2.14 -0.92 0.00 0.00 175.35 174.48 1rwg s PRO 673 N -3.93 4.15 0.00 -1.68 0.02 -1.26 -4.70 135.00 127.60 1rwg s PRO 673 Ca 0.20 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1rwg s PRO 673 Cb 0.06 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1rwg s PRO 673 CO 0.00 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 1rwg n GLY 674 N 1.41 -1.83 3.44 0.52 0.00 -0.71 -5.00 105.19 103.01 1rwg n GLY 674 Ca 0.05 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1rwg n GLY 674 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rwg s MET 675 N -1.81 2.50 -0.31 1.61 -1.94 -1.26 -1.74 119.30 116.35 1rwg s MET 675 Ca 0.00 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 1rwg s MET 675 Cb 0.00 -2.33 0.07 0.00 2.01 0.00 0.00 34.83 34.58 1rwg s MET 675 CO 0.00 0.58 0.01 0.00 -0.01 0.00 0.00 175.02 175.60 1rwg s ALA 676 N -0.62 2.82 0.00 3.03 0.00 0.72 -4.91 121.76 122.80 1rwg s ALA 676 Ca 0.09 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1rwg s ALA 676 Cb -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1rwg s ALA 676 CO 0.01 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1rwg n GLY 677 N 4.47 3.49 1.39 0.00 0.00 -1.26 -2.11 105.19 111.17 1rwg n GLY 677 Ca -0.07 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1rwg n GLY 677 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rwg n ASP 678 N 6.25 4.04 -4.78 1.61 5.75 -1.26 -4.86 116.55 123.30 1rwg n ASP 678 Ca 0.00 -2.02 -0.36 0.00 -0.01 0.00 0.00 54.79 52.40 1rwg n ASP 678 Cb 0.00 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.51 1rwg n ASP 678 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1rwg s LEU 679 N -1.05 4.21 0.25 -2.12 2.96 -0.90 -3.17 118.68 118.86 1rwg s LEU 679 Ca 0.50 0.30 0.11 0.00 -0.22 0.00 0.00 54.13 54.82 1rwg s LEU 679 Cb 0.26 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 1rwg s LEU 679 CO 0.33 0.28 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.62 1rwg s GLY 680 N -0.23 1.74 0.03 7.98 0.00 0.19 -0.20 107.32 116.83 1rwg s GLY 680 Ca 0.10 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.05 1rwg s GLY 680 CO 0.01 -1.87 -0.06 0.00 0.00 0.00 0.00 173.10 171.18 1rwg s ALA 681 N -2.49 0.44 -1.49 3.20 0.00 -0.71 -0.95 121.76 119.77 1rwg s ALA 681 Ca 0.27 -0.69 0.28 0.00 0.00 0.00 0.00 51.96 51.81 1rwg s ALA 681 Cb -0.04 0.06 1.00 0.00 0.00 0.00 0.00 23.12 24.14 1rwg s ALA 681 CO 0.12 -0.05 1.73 -1.13 0.00 0.00 0.00 175.76 176.43 1rwg n SER 682 N 1.58 0.55 -1.60 0.00 3.41 -0.39 -1.74 113.62 115.42 1rwg n SER 682 Ca -0.23 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 1rwg n SER 682 Cb 0.55 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1rwg n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rwg n GLY 683 N 1.35 0.73 3.58 5.00 0.00 -1.26 -4.40 105.19 110.19 1rwg n GLY 683 Ca 0.12 -0.91 -0.47 0.00 0.00 0.00 0.00 46.02 44.76 1rwg n GLY 683 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rwg n PRO 684 N -0.19 1.24 -3.55 1.61 -0.02 -1.26 -4.75 135.00 128.08 1rwg n PRO 684 Ca 0.01 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1rwg n PRO 684 Cb 0.13 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1rwg n PRO 684 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rwg s ALA 685 N -0.63 -1.84 -0.11 3.55 0.00 -1.08 -4.42 121.76 117.23 1rwg s ALA 685 Ca 0.66 1.45 0.01 0.00 0.00 0.00 0.00 51.96 54.07 1rwg s ALA 685 Cb -0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1rwg s ALA 685 CO 0.56 -0.34 -0.15 0.00 0.00 0.00 0.00 175.76 175.83 1rwg s VAL 687 N 0.13 0.43 -0.04 0.00 1.01 0.04 -1.04 120.40 120.92 1rwg s VAL 687 Ca -0.07 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1rwg s VAL 687 Cb -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1rwg s VAL 687 CO 0.05 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.45 1rwg s VAL 688 N 0.11 1.26 0.04 2.92 1.01 -0.33 -0.35 120.40 125.06 1rwg s VAL 688 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1rwg s VAL 688 Cb -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1rwg s VAL 688 CO -0.00 0.37 -0.03 0.72 0.00 0.00 0.00 175.10 176.15 1rwg s PHE 689 N 0.10 0.46 -0.20 5.22 -0.12 -0.14 -0.46 117.98 122.85 1rwg s PHE 689 Ca -0.04 -0.86 -0.12 0.00 -0.05 0.00 0.00 56.93 55.85 1rwg s PHE 689 Cb -0.11 -0.33 0.06 0.00 -0.63 0.00 0.00 43.02 42.01 1rwg s PHE 689 CO 0.02 -0.29 0.51 0.45 -0.05 0.00 0.00 175.22 175.85 1rwg s SER 690 N -2.40 -0.64 -0.06 1.98 0.15 -0.26 -1.21 113.70 111.26 1rwg s SER 690 Ca -0.01 1.09 -0.17 0.00 0.70 0.00 0.00 55.95 57.57 1rwg s SER 690 Cb 0.01 0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1rwg s SER 690 CO -0.06 -0.20 0.45 -0.60 1.20 0.00 0.00 173.24 174.02 1rwg s ARG 691 N 1.30 4.17 -0.34 5.44 3.52 -1.26 -1.24 118.95 130.55 1rwg s ARG 691 Ca -0.08 0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.98 1rwg s ARG 691 Cb -0.07 -3.34 0.10 0.00 -1.56 0.00 0.00 34.95 30.08 1rwg s ARG 691 CO -0.13 0.40 0.07 -1.01 -0.81 0.00 0.00 175.30 173.82 1rwg s HIS 692 N -0.15 3.14 0.00 5.12 3.76 0.70 -5.00 115.29 122.86 1rwg s HIS 692 Ca 0.25 -2.64 0.00 0.00 -0.15 0.00 0.00 55.06 52.52 1rwg s HIS 692 Cb -0.16 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 30.97 1rwg s HIS 692 CO 0.12 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.49 1rwg n GLY 693 N 4.40 2.69 1.89 -2.22 0.00 -1.26 -1.41 105.19 109.28 1rwg n GLY 693 Ca 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1rwg n GLY 693 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rwg n ASN 694 N 9.72 4.79 -3.92 1.61 6.94 -1.26 -4.88 115.26 128.26 1rwg n ASN 694 Ca 0.00 -3.06 -0.21 0.00 -0.02 0.00 0.00 54.58 51.30 1rwg n ASN 694 Cb 0.00 -0.72 -0.16 0.00 -2.36 0.00 0.00 39.78 36.54 1rwg n ASN 694 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rwg s GLU 695 N -2.74 0.97 -0.22 -3.83 2.02 -0.50 -1.46 118.70 112.94 1rwg s GLU 695 Ca 0.51 -0.17 -0.05 0.00 0.02 0.00 0.00 54.97 55.28 1rwg s GLU 695 Cb 0.40 -0.92 -0.02 0.00 0.10 0.00 0.00 34.13 33.69 1rwg s GLU 695 CO 0.13 -0.05 -0.01 -1.17 0.02 0.00 0.00 175.26 174.18 1rwg s LEU 696 N 0.81 3.11 -0.15 1.80 2.96 -0.03 -0.22 118.68 126.96 1rwg s LEU 696 Ca -0.12 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1rwg s LEU 696 Cb -0.14 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1rwg s LEU 696 CO 0.01 0.01 0.12 -0.44 -1.32 0.00 0.00 176.35 174.72 1rwg s SER 697 N 1.32 6.15 0.02 3.68 0.01 -0.37 -0.11 113.70 124.41 1rwg s SER 697 Ca 0.04 0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1rwg s SER 697 Cb -0.15 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1rwg s SER 697 CO 0.00 0.31 -0.05 -0.76 0.41 0.00 0.00 173.24 173.15 1rwg s LEU 698 N -0.44 2.19 -0.04 2.44 1.02 -0.10 -1.11 118.68 122.64 1rwg s LEU 698 Ca 0.11 -0.41 0.07 0.00 0.02 0.00 0.00 54.13 53.92 1rwg s LEU 698 Cb -0.12 -0.09 -0.01 0.00 0.02 0.00 0.00 46.19 45.99 1rwg s LEU 698 CO 0.02 -0.17 -0.24 0.00 0.02 0.00 0.00 176.35 175.97 1rwg s ALA 699 N -1.08 2.08 -0.01 4.21 0.00 0.40 -1.32 121.76 126.03 1rwg s ALA 699 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1rwg s ALA 699 Cb -0.08 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1rwg s ALA 699 CO -0.00 0.44 -0.01 0.08 0.00 0.00 0.00 175.76 176.27 1rwg s VAL 700 N -0.30 0.13 0.17 0.00 1.01 -0.24 -1.19 120.40 119.98 1rwg s VAL 700 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1rwg s VAL 700 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1rwg s VAL 700 CO 0.02 0.08 -0.16 -0.94 0.00 0.00 0.00 175.10 174.11 1rwg s SER 701 N 0.47 2.47 -0.60 3.32 1.04 -0.21 -0.67 113.70 119.52 1rwg s SER 701 Ca -0.04 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.42 1rwg s SER 701 Cb -0.07 -0.13 0.16 0.00 0.10 0.00 0.00 66.02 66.08 1rwg s SER 701 CO -0.01 -0.12 0.44 -0.70 0.98 0.00 0.00 173.24 173.83 1rwg s GLU 702 N -3.11 2.62 0.00 4.02 -6.30 -1.26 -1.76 118.70 112.91 1rwg s GLU 702 Ca 0.17 -2.29 0.29 0.00 -2.50 0.00 0.00 54.97 50.63 1rwg s GLU 702 Cb -0.03 -3.85 1.27 0.00 0.00 0.00 0.00 34.13 31.52 1rwg s GLU 702 CO 0.06 -1.18 1.94 -0.35 0.02 0.00 0.00 175.26 175.74 1rwg n PRO 703 N 3.95 0.08 0.21 4.30 -0.04 -1.26 -2.52 135.00 139.71 1rwg n PRO 703 Ca 0.05 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1rwg n PRO 703 Cb 0.40 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.72 1rwg n PRO 703 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1rwg h THR 704 N 0.00 0.52 -0.13 0.52 1.35 -1.87 -3.40 112.91 109.90 1rwg h THR 704 Ca 0.00 -1.28 -0.06 0.00 -0.55 0.00 0.00 66.41 64.52 1rwg h THR 704 Cb 0.45 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1rwg h THR 704 CO 0.00 0.24 -0.05 0.00 -0.25 0.00 0.00 175.52 175.45 1rwg n GLN 705 N -3.31 -0.97 0.00 4.72 6.02 -1.05 -4.83 117.38 117.97 1rwg n GLN 705 Ca 0.01 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1rwg n GLN 705 Cb 0.49 -4.24 0.00 0.00 1.02 0.00 0.00 30.24 27.51 1rwg n GLN 705 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1rwg n LYS 706 N -1.37 1.24 -3.39 -1.09 5.02 -1.26 -4.68 118.16 112.62 1rwg n LYS 706 Ca -0.03 -0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 1rwg n LYS 706 Cb 0.28 -0.53 -0.06 0.00 -0.02 0.00 0.00 35.03 34.71 1rwg n LYS 706 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwg s ALA 707 N -0.22 3.64 -0.32 7.82 0.00 -1.26 -4.99 121.76 126.43 1rwg s ALA 707 Ca 0.00 -0.11 0.21 0.00 0.00 0.00 0.00 51.96 52.05 1rwg s ALA 707 Cb 0.00 -2.51 0.19 0.00 0.00 0.00 0.00 23.12 20.81 1rwg s ALA 707 CO 0.00 0.41 1.44 0.00 0.00 0.00 0.00 175.76 177.61 1rwg h ALA 708 N 4.81 0.82 -2.59 0.00 0.00 -1.96 -3.34 119.26 117.00 1rwg h ALA 708 Ca -0.50 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1rwg h ALA 708 Cb 1.21 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1rwg h ALA 708 CO 0.63 0.20 -0.31 0.20 0.00 0.00 0.00 179.25 179.98 1rwg s GLY 709 N -4.33 0.17 -0.18 0.00 0.00 -1.26 -0.51 107.32 101.21 1rwg s GLY 709 Ca 0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 1rwg s GLY 709 CO 0.71 -0.74 0.47 -2.27 0.00 0.00 0.00 173.10 171.27 1rwg s LEU 710 N -2.89 0.01 -0.13 0.66 2.96 -0.88 -4.85 118.68 113.57 1rwg s LEU 710 Ca 0.09 0.98 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1rwg s LEU 710 Cb 0.04 1.60 0.01 0.00 0.50 0.00 0.00 46.19 48.33 1rwg s LEU 710 CO -0.07 -0.18 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.67 1rwg s THR 711 N 0.72 2.11 -0.01 3.68 2.01 -1.26 -0.52 115.64 122.37 1rwg s THR 711 Ca -0.04 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1rwg s THR 711 Cb -0.05 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1rwg s THR 711 CO -0.05 0.55 0.30 -0.76 -0.69 0.00 0.00 174.62 173.97 1rwg s LEU 712 N 0.69 4.40 -0.32 4.42 1.43 0.46 -1.26 118.68 128.49 1rwg s LEU 712 Ca -0.10 0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 53.55 1rwg s LEU 712 Cb -0.16 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1rwg s LEU 712 CO 0.01 0.29 0.31 -0.89 0.23 0.00 0.00 176.35 176.30 1rwg s THR 713 N -1.20 5.21 0.24 5.49 2.01 -0.12 -0.84 115.64 126.43 1rwg s THR 713 Ca 0.25 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1rwg s THR 713 Cb -0.14 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1rwg s THR 713 CO 0.13 0.01 0.92 -0.76 -0.69 0.00 0.00 174.62 174.23 1rwg s LEU 714 N 1.93 4.60 0.85 4.42 1.43 0.12 -0.64 118.68 131.39 1rwg s LEU 714 Ca 0.10 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 1rwg s LEU 714 Cb -0.17 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.58 1rwg s LEU 714 CO 0.11 0.14 1.19 -2.16 0.23 0.00 0.00 176.35 175.86 1rwg s PRO 715 N -1.29 1.33 -1.17 1.29 0.04 -1.19 -4.57 135.00 129.44 1rwg s PRO 715 Ca 0.41 -0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.05 1rwg s PRO 715 Cb -0.25 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1rwg s PRO 715 CO 0.30 -1.90 0.13 0.39 0.04 0.00 0.00 177.00 175.97 1rwg n GLU 716 N -3.39 -1.85 0.00 4.56 -0.58 -1.26 -4.77 120.64 113.35 1rwg n GLU 716 Ca 0.13 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1rwg n GLU 716 Cb 0.60 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 1rwg n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rwg n GLY 717 N -1.10 -1.22 3.94 0.62 0.00 -1.26 -4.97 105.19 101.20 1rwg n GLY 717 Ca -0.14 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 1rwg n GLY 717 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rwg s THR 718 N 0.00 5.26 -0.03 2.61 -4.23 -1.26 -4.51 115.64 113.48 1rwg s THR 718 Ca 0.00 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1rwg s THR 718 Cb 0.00 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1rwg s THR 718 CO 0.00 -0.13 -0.01 0.26 -0.54 0.00 0.00 174.62 174.21 1rwg s TRP 719 N -1.78 0.36 -0.02 3.99 0.52 -1.26 -4.69 118.94 116.06 1rwg s TRP 719 Ca 0.34 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.44 1rwg s TRP 719 Cb -0.11 -0.43 -0.01 0.00 -1.15 0.00 0.00 33.47 31.77 1rwg s TRP 719 CO 0.28 -0.13 0.02 -1.13 0.02 0.00 0.00 176.95 176.01 1rwg n SER 720 N 4.11 0.73 -3.96 2.95 3.41 -0.77 -4.91 113.62 115.18 1rwg n SER 720 Ca -0.27 -0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 1rwg n SER 720 Cb 0.50 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.34 1rwg n SER 720 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rwg s SER 721 N -1.21 0.22 -0.33 4.04 1.04 -1.01 -5.01 113.70 111.44 1rwg s SER 721 Ca 0.00 -0.40 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 1rwg s SER 721 Cb 0.00 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1rwg s SER 721 CO 0.02 -0.23 0.63 -0.69 0.98 0.00 0.00 173.24 173.95 1rwg s VAL 722 N -1.16 4.92 -0.13 5.02 1.01 -1.26 0.26 120.40 129.06 1rwg s VAL 722 Ca -0.13 0.71 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 1rwg s VAL 722 Cb -0.08 -4.03 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 1rwg s VAL 722 CO -0.01 -0.22 0.51 -0.07 0.00 0.00 0.00 175.10 175.31 1rwg h LEU 723 N 9.25 0.24 -8.35 3.92 3.38 -0.64 -3.48 115.31 119.63 1rwg h LEU 723 Ca -0.27 -0.80 -0.45 0.00 0.09 0.00 0.00 57.88 56.46 1rwg h LEU 723 Cb 1.11 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.55 1rwg h LEU 723 CO 0.81 1.50 -0.79 -1.61 0.09 0.00 0.00 178.44 178.44 1rwg s GLU 724 N -2.41 0.93 0.92 1.13 2.02 -0.92 -4.95 118.70 115.42 1rwg s GLU 724 Ca -0.22 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1rwg s GLU 724 Cb 0.04 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.32 1rwg s GLU 724 CO 0.71 0.23 0.00 0.41 0.02 0.00 0.00 175.26 176.64 1rwg n GLY 725 N 1.78 -1.91 3.48 -1.39 0.00 -1.26 -1.19 105.19 104.70 1rwg n GLY 725 Ca -0.19 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1rwg n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rwg s ALA 726 N -1.25 2.77 0.00 4.61 0.00 -1.26 -4.97 121.76 121.66 1rwg s ALA 726 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1rwg s ALA 726 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1rwg s ALA 726 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1rwg n GLY 727 N -0.61 4.40 3.29 0.00 0.00 -1.26 -4.93 105.19 106.08 1rwg n GLY 727 Ca -0.05 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1rwg n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwg s THR 728 N -2.00 3.06 0.38 2.61 2.01 -0.19 -4.92 115.64 116.59 1rwg s THR 728 Ca 0.00 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 1rwg s THR 728 Cb 0.00 -2.35 -0.10 0.00 0.01 0.00 0.00 72.50 70.06 1rwg s THR 728 CO 0.00 0.47 0.98 -0.76 -0.69 0.00 0.00 174.62 174.62 1rwg s LEU 729 N 1.14 4.15 0.00 4.42 1.43 -1.26 -1.28 118.68 127.28 1rwg s LEU 729 Ca 0.01 1.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.91 1rwg s LEU 729 Cb -0.14 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.88 1rwg s LEU 729 CO -0.03 -0.31 0.45 0.61 0.23 0.00 0.00 176.35 177.30 1rwg n GLY 730 N 0.15 1.69 2.88 -3.19 0.00 -0.36 -4.96 105.19 101.40 1rwg n GLY 730 Ca 0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1rwg n GLY 730 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwg s THR 731 N -2.50 0.05 0.25 2.61 2.01 -1.26 -0.47 115.64 116.33 1rwg s THR 731 Ca 0.13 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1rwg s THR 731 Cb -0.02 -0.06 0.04 0.00 0.01 0.00 0.00 72.50 72.47 1rwg s THR 731 CO 0.09 0.02 0.35 -0.90 -0.69 0.00 0.00 174.62 173.50 1rwg n ASP 732 N 3.14 0.81 0.10 3.53 5.68 -0.33 -4.91 116.55 124.57 1rwg n ASP 732 Ca -0.13 -1.60 0.03 0.00 -0.50 0.00 0.00 54.79 52.59 1rwg n ASP 732 Cb 0.59 -0.19 0.42 0.00 -1.14 0.00 0.00 41.12 40.80 1rwg n ASP 732 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rwg h ALA 733 N 0.16 1.60 -0.55 2.12 0.00 -2.02 -2.20 119.26 118.37 1rwg h ALA 733 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rwg h ALA 733 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rwg h ALA 733 CO 0.16 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 1rwg n ASP 734 N -4.35 3.91 0.00 0.00 8.00 -1.26 -4.94 116.55 117.92 1rwg n ASP 734 Ca -0.00 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1rwg n ASP 734 Cb 0.20 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1rwg n ASP 734 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rwg n GLY 735 N 1.06 0.77 3.85 0.44 0.00 -0.83 -5.04 105.19 105.44 1rwg n GLY 735 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1rwg n GLY 735 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rwg s ARG 736 N -0.10 3.97 0.30 1.61 0.52 -1.26 -4.80 118.95 119.20 1rwg s ARG 736 Ca 0.00 0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 1rwg s ARG 736 Cb 0.00 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 1rwg s ARG 736 CO 0.00 0.41 1.12 -1.12 0.02 0.00 0.00 175.30 175.73 1rwg s SER 737 N -1.89 7.12 0.23 0.23 0.01 -1.26 -1.19 113.70 116.95 1rwg s SER 737 Ca 0.42 2.29 0.11 0.00 1.31 0.00 0.00 55.95 60.08 1rwg s SER 737 Cb -0.14 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 1rwg s SER 737 CO 0.20 -0.25 -0.16 0.42 0.41 0.00 0.00 173.24 173.85 1rwg s THR 738 N -1.23 2.72 -0.11 1.44 -4.23 0.38 -0.70 115.64 113.91 1rwg s THR 738 Ca 0.47 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1rwg s THR 738 Cb -0.32 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1rwg s THR 738 CO 0.41 -0.26 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.96 1rwg s LEU 739 N -3.15 1.07 -0.17 4.79 2.96 -0.02 -1.22 118.68 122.94 1rwg s LEU 739 Ca 0.26 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1rwg s LEU 739 Cb -0.07 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1rwg s LEU 739 CO 0.14 -0.14 0.01 -0.89 -1.32 0.00 0.00 176.35 174.15 1rwg s THR 740 N 1.77 4.28 -0.00 3.68 2.01 -0.40 -0.41 115.64 126.57 1rwg s THR 740 Ca 0.05 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1rwg s THR 740 Cb -0.13 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1rwg s THR 740 CO -0.07 0.47 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.39 1rwg s LEU 741 N 0.42 2.54 -0.39 4.42 1.43 0.32 -1.03 118.68 126.39 1rwg s LEU 741 Ca -0.01 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 1rwg s LEU 741 Cb -0.13 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1rwg s LEU 741 CO 0.02 0.30 0.70 -0.62 0.23 0.00 0.00 176.35 176.98 1rwg s ASP 742 N -1.01 6.42 -0.03 2.29 -1.08 -1.26 -2.07 116.67 119.93 1rwg s ASP 742 Ca 0.12 0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.31 1rwg s ASP 742 Cb -0.10 -2.35 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 1rwg s ASP 742 CO 0.02 -0.73 1.32 0.35 0.52 0.00 0.00 175.17 176.66 1rwg n THR 743 N 5.80 1.25 -1.67 1.71 -2.24 0.33 -4.97 114.28 114.49 1rwg n THR 743 Ca 0.00 -1.15 -0.50 0.00 -2.27 0.00 0.00 64.05 60.13 1rwg n THR 743 Cb 0.48 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1rwg n THR 743 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rwg n THR 744 N 0.45 0.33 -1.99 4.28 -1.04 -1.09 -2.19 114.28 113.03 1rwg n THR 744 Ca 0.15 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.89 1rwg n THR 744 Cb 0.54 -1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 67.45 1rwg n THR 744 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rwg n GLY 745 N 3.93 0.76 0.07 3.41 0.00 -1.26 -4.90 105.19 107.19 1rwg n GLY 745 Ca 0.22 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1rwg n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rwg n LEU 746 N -2.66 0.49 -3.49 0.99 4.77 -0.93 -4.91 117.00 111.26 1rwg n LEU 746 Ca -0.23 0.55 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 1rwg n LEU 746 Cb 0.68 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1rwg n LEU 746 CO 0.30 -0.15 0.07 -1.20 -1.33 0.00 0.00 177.39 175.08 1rwg n SER 747 N -1.97 -5.29 0.00 -1.43 7.64 -1.26 -1.22 113.62 110.09 1rwg n SER 747 Ca 0.06 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1rwg n SER 747 Cb 0.37 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 1rwg n SER 747 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwg n GLY 748 N -1.60 0.84 3.79 0.23 0.00 -1.26 -4.52 105.19 102.67 1rwg n GLY 748 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1rwg n GLY 748 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwg s LYS 749 N -0.05 2.61 0.02 1.61 1.02 -0.36 -4.71 119.74 119.88 1rwg s LYS 749 Ca 0.00 1.08 -0.18 0.00 0.02 0.00 0.00 55.97 56.90 1rwg s LYS 749 Cb 0.00 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1rwg s LYS 749 CO 0.00 -1.36 0.51 0.99 -0.92 0.00 0.00 175.35 174.56 1rwg s THR 750 N -2.93 4.90 -0.17 2.17 2.01 -1.26 -4.48 115.64 115.89 1rwg s THR 750 Ca 0.60 1.06 -0.06 0.00 0.31 0.00 0.00 61.69 63.60 1rwg s THR 750 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1rwg s THR 750 CO 0.54 0.53 0.02 -0.54 -0.69 0.00 0.00 174.62 174.48 1rwg s LYS 751 N -0.82 3.81 -0.17 4.92 -0.14 0.15 -4.94 119.74 122.54 1rwg s LYS 751 Ca 0.27 -0.41 -0.09 0.00 -1.36 0.00 0.00 55.97 54.38 1rwg s LYS 751 Cb -0.18 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 1rwg s LYS 751 CO 0.16 0.29 0.12 -0.51 -0.76 0.00 0.00 175.35 174.65 1rwg s LEU 752 N 0.28 4.16 0.03 3.17 1.43 -1.26 -1.08 118.68 125.40 1rwg s LEU 752 Ca 0.01 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1rwg s LEU 752 Cb -0.13 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1rwg s LEU 752 CO 0.01 0.24 -0.11 -0.63 0.23 0.00 0.00 176.35 176.09 1rwg s ILE 753 N -0.02 0.86 -0.05 -0.59 1.09 -0.43 -4.30 121.20 117.75 1rwg s ILE 753 Ca 0.09 -0.86 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 1rwg s ILE 753 Cb -0.11 -0.80 0.02 0.00 -1.06 0.00 0.00 42.46 40.50 1rwg s ILE 753 CO -0.00 -0.05 -0.08 -0.75 -0.10 0.00 0.00 174.94 173.95 1rwg s LYS 754 N -1.03 1.22 0.20 2.79 2.20 -0.33 -0.92 119.74 123.88 1rwg s LYS 754 Ca -0.01 -0.27 0.09 0.00 -0.36 0.00 0.00 55.97 55.42 1rwg s LYS 754 Cb -0.07 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 1rwg s LYS 754 CO 0.01 -0.01 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.42 1rwg s LEU 755 N 0.70 3.07 0.03 5.43 1.43 0.85 0.11 118.68 130.30 1rwg s LEU 755 Ca -0.12 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1rwg s LEU 755 Cb -0.14 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1rwg s LEU 755 CO 0.02 0.07 -0.25 -0.75 0.23 0.00 0.00 176.35 175.68 1rwg s LYS 756 N -3.07 1.78 0.00 1.70 2.20 0.14 -0.85 119.74 121.64 1rwg s LYS 756 Ca 0.27 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1rwg s LYS 756 Cb -0.08 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1rwg s LYS 756 CO 0.17 0.49 0.46 -2.13 -0.36 0.00 0.00 175.35 173.98