#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lll s SER 18 N 0.00 6.26 0.28 -1.12 0.15 -1.26 -5.01 113.70 113.00 3lll s SER 18 Ca 0.00 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.75 3lll s SER 18 Cb 0.00 -1.83 0.42 0.00 -1.71 0.00 0.00 66.02 62.90 3lll s SER 18 CO 0.00 -0.05 1.70 0.15 1.20 0.00 0.00 173.24 176.24 3lll h PHE 19 N 1.32 0.43 0.00 3.44 3.57 -2.02 -2.80 116.94 120.89 3lll h PHE 19 Ca -0.51 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.88 3lll h PHE 19 Cb 1.23 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3lll h PHE 19 CO 0.47 0.67 0.00 0.91 -2.23 0.00 0.00 178.31 178.13 3lll n TRP 20 N -4.07 0.00 -2.83 0.41 7.02 -1.26 -4.31 117.44 112.40 3lll n TRP 20 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.07 3lll n TRP 20 Cb 0.45 -0.39 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 3lll n TRP 20 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3lll s GLU 21 N -2.78 4.65 -0.27 -0.99 2.12 -1.06 -4.92 118.70 115.46 3lll s GLU 21 Ca 0.13 1.32 -0.43 0.00 0.36 0.00 0.00 54.97 56.34 3lll s GLU 21 Cb 0.12 -3.35 -0.19 0.00 0.26 0.00 0.00 34.13 30.97 3lll s GLU 21 CO 0.29 0.32 1.41 1.33 -0.54 0.00 0.00 175.26 178.07 3lll n VAL 22 N 2.47 0.03 -2.58 3.70 0.24 -1.26 -1.98 118.33 118.95 3lll n VAL 22 Ca -0.01 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3lll n VAL 22 Cb 0.49 -0.41 0.02 0.00 -1.47 0.00 0.00 33.84 32.46 3lll n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lll n GLY 23 N 3.04 0.01 0.72 7.63 0.00 -1.26 -4.92 105.19 110.41 3lll n GLY 23 Ca 0.26 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3lll n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lll n ASN 24 N -0.48 2.63 0.00 1.61 5.03 -0.84 -4.19 115.26 119.02 3lll n ASN 24 Ca -0.08 -1.76 0.11 0.00 0.87 0.00 0.00 54.58 53.72 3lll n ASN 24 Cb 0.57 -0.10 0.60 0.00 -1.02 0.00 0.00 39.78 39.83 3lll n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3lll n TYR 25 N 0.90 0.00 -0.34 3.10 0.18 -1.26 -3.93 117.16 115.81 3lll n TYR 25 Ca 0.11 0.00 0.19 0.00 1.88 0.00 0.00 57.90 60.09 3lll n TYR 25 Cb 0.43 -0.23 0.41 0.00 -0.38 0.00 0.00 39.34 39.56 3lll n TYR 25 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 3lll h LYS 26 N 0.00 0.46 -0.00 -3.48 2.10 -1.97 0.25 116.57 113.93 3lll h LYS 26 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3lll h LYS 26 Cb 0.17 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3lll h LYS 26 CO 0.00 0.30 -0.11 -2.13 -2.00 0.00 0.00 179.45 175.51 3lll n ARG 27 N -4.96 0.11 -0.03 0.07 0.63 -1.25 -1.37 116.66 109.85 3lll n ARG 27 Ca 0.28 -0.02 -0.10 0.00 -0.92 0.00 0.00 57.85 57.08 3lll n ARG 27 Cb 0.81 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 32.08 3lll n ARG 27 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3lll n THR 28 N -1.43 1.61 0.08 5.15 5.66 0.80 -3.73 114.28 122.42 3lll n THR 28 Ca 0.08 -0.78 -0.16 0.00 -3.05 0.00 0.00 64.05 60.14 3lll n THR 28 Cb 0.32 -1.07 -0.09 0.00 -1.55 0.00 0.00 70.33 67.95 3lll n THR 28 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3lll h VAL 29 N 0.01 1.41 0.00 1.08 2.07 -1.22 -3.16 116.25 116.44 3lll h VAL 29 Ca -0.34 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.53 3lll h VAL 29 Cb 2.04 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 34.45 3lll h VAL 29 CO 0.07 0.79 -0.03 0.50 0.02 0.00 0.00 177.57 178.91 3lll h LYS 30 N 0.19 0.00 0.00 1.57 3.64 -1.37 -1.73 116.57 118.87 3lll h LYS 30 Ca -0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3lll h LYS 30 Cb 1.76 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 3lll h LYS 30 CO 0.19 0.03 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.18 3lll h ARG 31 N 0.00 0.00 0.75 1.90 2.43 -1.63 -2.46 114.38 115.38 3lll h ARG 31 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3lll h ARG 31 Cb 0.10 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3lll h ARG 31 CO 0.00 0.14 -0.36 0.82 -1.51 0.00 0.00 179.97 179.06 3lll h ILE 32 N 0.00 0.20 -0.65 1.20 2.04 -1.48 0.10 117.51 118.94 3lll h ILE 32 Ca -0.00 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3lll h ILE 32 Cb 0.27 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3lll h ILE 32 CO 0.02 0.01 0.33 0.44 0.00 0.00 0.00 178.15 178.95 3lll h ASP 33 N -1.10 0.47 -0.86 1.72 3.45 -1.67 0.20 116.42 118.62 3lll h ASP 33 Ca -0.10 0.04 0.11 0.00 0.43 0.00 0.00 57.03 57.51 3lll h ASP 33 Cb 0.79 -0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.45 3lll h ASP 33 CO 0.17 0.29 0.56 0.44 -1.57 0.00 0.00 179.24 179.13 3lll h ASP 34 N 0.61 0.71 -0.23 6.45 3.32 -1.30 0.15 116.42 126.12 3lll h ASP 34 Ca 0.30 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.41 3lll h ASP 34 Cb 0.24 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3lll h ASP 34 CO -0.21 0.40 0.06 1.23 -1.72 0.00 0.00 179.24 178.99 3lll h GLY 35 N 0.77 0.27 1.47 2.75 0.00 0.13 0.14 103.07 108.60 3lll h GLY 35 Ca 0.41 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 3lll h GLY 35 CO -0.18 0.00 0.07 0.84 0.00 0.00 0.00 176.54 177.28 3lll h HIS 36 N 0.15 0.68 -0.54 5.60 -0.00 -0.73 -2.57 115.15 117.76 3lll h HIS 36 Ca 0.10 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 3lll h HIS 36 Cb 0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 3lll h HIS 36 CO -0.14 0.61 0.07 -0.09 -0.00 0.00 0.00 177.93 178.37 3lll h ARG 37 N 0.64 0.90 0.00 5.26 2.43 -0.37 -2.87 114.38 120.37 3lll h ARG 37 Ca 0.14 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3lll h ARG 37 Cb 0.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3lll h ARG 37 CO 0.00 0.88 0.00 -0.07 -1.51 0.00 0.00 179.97 179.28 3lll h LEU 38 N 0.78 0.00 0.28 3.80 3.38 -0.34 -2.40 115.31 120.81 3lll h LEU 38 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3lll h LEU 38 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3lll h LEU 38 CO 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.41 3lll h GLY 40 N -1.02 1.69 0.98 0.00 0.00 -1.50 -0.48 103.07 102.74 3lll h GLY 40 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3lll h GLY 40 CO 0.06 0.03 -0.17 -0.55 0.00 0.00 0.00 176.54 175.91 3lll h ASP 41 N 0.84 -0.40 0.09 0.19 5.19 -1.51 0.59 116.42 121.42 3lll h ASP 41 Ca 0.54 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 3lll h ASP 41 Cb 0.74 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 3lll h ASP 41 CO -0.32 -0.27 -0.03 0.25 -3.12 0.00 0.00 179.24 175.74 3lll h LEU 42 N -0.50 0.00 0.18 1.55 5.85 -0.88 0.29 115.31 121.81 3lll h LEU 42 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3lll h LEU 42 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3lll h LEU 42 CO 0.08 0.03 -0.09 0.24 -0.34 0.00 0.00 178.44 178.37 3lll h MET 43 N 0.00 -0.23 -0.94 1.25 2.86 -0.56 -2.79 114.93 114.52 3lll h MET 43 Ca -0.00 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 3lll h MET 43 Cb 0.09 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.71 3lll h MET 43 CO 0.00 0.12 0.56 -0.91 1.06 0.00 0.00 176.91 177.75 3lll h ASN 44 N -0.95 0.79 -0.23 1.22 -0.26 -0.54 0.11 115.58 115.73 3lll h ASN 44 Ca -0.02 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3lll h ASN 44 Cb 0.46 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3lll h ASN 44 CO 0.04 0.40 0.14 0.00 -1.06 0.00 0.00 177.43 176.95 3lll h LEU 46 N 0.29 -0.04 0.11 0.00 3.38 -1.11 -2.84 115.31 115.09 3lll h LEU 46 Ca 0.09 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3lll h LEU 46 Cb -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3lll h LEU 46 CO -0.03 0.21 -0.33 -0.74 0.09 0.00 0.00 178.44 177.64 3lll h HIS 47 N -0.30 -0.90 -0.79 1.13 2.76 -0.60 0.14 115.15 116.59 3lll h HIS 47 Ca -0.01 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 3lll h HIS 47 Cb 0.27 0.38 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 3lll h HIS 47 CO 0.01 -0.43 0.54 0.93 -1.30 0.00 0.00 177.93 177.67 3lll h GLU 48 N -0.55 0.31 0.08 5.26 5.08 -0.44 0.12 114.58 124.43 3lll h GLU 48 Ca 0.03 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 3lll h GLU 48 Cb 0.58 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.79 3lll h GLU 48 CO -0.20 0.20 -0.97 -0.09 -1.00 0.00 0.00 179.01 176.95 3lll h ARG 49 N 0.32 0.53 -0.87 2.33 2.43 -1.15 -3.16 114.38 114.81 3lll h ARG 49 Ca 0.40 -0.67 0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3lll h ARG 49 Cb 1.07 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 3lll h ARG 49 CO -0.11 1.28 0.57 0.00 -1.51 0.00 0.00 179.97 180.20 3lll h ALA 50 N 0.28 2.04 -0.13 2.80 0.00 0.17 0.27 119.26 124.69 3lll h ALA 50 Ca -0.14 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3lll h ALA 50 Cb 1.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3lll h ALA 50 CO 0.19 -0.30 -0.34 -0.09 0.00 0.00 0.00 179.25 178.71 3lll h ARG 51 N 0.52 0.26 -0.08 0.00 2.43 -1.05 -2.48 114.38 113.97 3lll h ARG 51 Ca 0.45 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 59.33 3lll h ARG 51 Cb 0.94 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3lll h ARG 51 CO -0.18 0.58 -0.72 0.82 -1.51 0.00 0.00 179.97 178.95 3lll h ILE 52 N 0.23 1.37 -0.56 1.20 2.04 -0.49 -1.74 117.51 119.55 3lll h ILE 52 Ca 0.03 -2.11 -0.06 0.00 1.00 0.00 0.00 64.86 63.71 3lll h ILE 52 Cb 0.71 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3lll h ILE 52 CO 0.05 0.64 0.10 -0.33 0.00 0.00 0.00 178.15 178.61 3lll h GLU 53 N 0.29 0.89 -0.21 2.37 4.39 -0.85 -1.98 114.58 119.48 3lll h GLU 53 Ca -0.03 -0.21 -0.17 0.00 0.34 0.00 0.00 59.36 59.29 3lll h GLU 53 Cb 1.29 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3lll h GLU 53 CO 0.12 0.82 -0.56 -0.22 -1.16 0.00 0.00 179.01 178.02 3lll h LYS 54 N 0.85 0.65 -0.99 2.33 3.64 -1.40 -2.58 116.57 119.07 3lll h LYS 54 Ca 0.18 -0.42 0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3lll h LYS 54 Cb 0.36 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 3lll h LYS 54 CO 0.01 1.04 0.63 0.00 -2.27 0.00 0.00 179.45 178.85 3lll h ALA 55 N 0.87 1.53 -0.02 5.00 0.00 -0.80 0.15 119.26 126.00 3lll h ALA 55 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3lll h ALA 55 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3lll h ALA 55 CO 0.11 0.24 -0.04 -0.92 0.00 0.00 0.00 179.25 178.64 3lll h TYR 56 N 1.00 0.07 -0.52 0.00 3.20 -1.29 -2.57 116.97 116.87 3lll h TYR 56 Ca 0.48 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.35 3lll h TYR 56 Cb 0.44 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3lll h TYR 56 CO -0.00 0.65 0.29 0.00 -1.64 0.00 0.00 178.16 177.46 3lll h ALA 57 N 0.41 0.67 -0.63 1.82 0.00 -1.07 -1.67 119.26 118.79 3lll h ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lll h ALA 57 Cb 0.65 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3lll h ALA 57 CO 0.01 -0.02 0.41 0.37 0.00 0.00 0.00 179.25 180.01 3lll h GLN 58 N 0.58 0.84 0.00 0.00 4.15 -0.77 -1.51 115.11 118.40 3lll h GLN 58 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 3lll h GLN 58 Cb 0.07 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3lll h GLN 58 CO -0.12 0.58 -0.18 1.96 -1.93 0.00 0.00 178.83 179.14 3lll h GLN 59 N 0.86 0.00 0.02 1.69 4.20 -1.00 -1.60 115.11 119.28 3lll h GLN 59 Ca 0.23 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 3lll h GLN 59 Cb -0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.71 3lll h GLN 59 CO -0.05 0.18 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.00 3lll h LEU 60 N 0.00 0.15 -0.96 1.46 3.38 -0.51 -2.06 115.31 116.77 3lll h LEU 60 Ca -0.00 -0.90 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 3lll h LEU 60 Cb 0.41 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3lll h LEU 60 CO 0.02 1.03 0.29 0.71 0.09 0.00 0.00 178.44 180.59 3lll h THR 61 N -0.71 1.24 -0.15 0.22 1.35 -1.24 0.12 112.91 113.74 3lll h THR 61 Ca -0.03 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 3lll h THR 61 Cb 1.09 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3lll h THR 61 CO 0.04 0.30 0.07 -0.33 -0.25 0.00 0.00 175.52 175.35 3lll h GLU 62 N 1.03 0.21 -0.24 4.72 5.08 -1.38 -0.73 114.58 123.26 3lll h GLU 62 Ca 0.24 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3lll h GLU 62 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3lll h GLU 62 CO -0.02 0.25 0.10 2.35 -1.00 0.00 0.00 179.01 180.69 3lll h TRP 63 N 0.11 0.17 0.36 4.33 7.01 -1.02 -1.86 115.95 125.05 3lll h TRP 63 Ca 0.05 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3lll h TRP 63 Cb 0.11 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 3lll h TRP 63 CO -0.03 0.09 -0.33 0.00 -2.79 0.00 0.00 178.44 175.38 3lll h ALA 64 N 1.14 -0.72 -1.02 2.65 0.00 -0.64 -1.94 119.26 118.74 3lll h ALA 64 Ca 0.10 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.14 3lll h ALA 64 Cb 0.06 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 3lll h ALA 64 CO -0.10 -0.93 0.63 -0.09 0.00 0.00 0.00 179.25 178.76 3lll h ARG 65 N -0.70 0.50 0.14 0.00 2.43 -1.02 0.39 114.38 116.12 3lll h ARG 65 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3lll h ARG 65 Cb 0.63 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3lll h ARG 65 CO -0.04 0.33 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.59 3lll h ARG 66 N 0.52 -0.18 0.00 0.20 2.43 -0.61 -3.06 114.38 113.67 3lll h ARG 66 Ca 0.60 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.57 3lll h ARG 66 Cb 1.30 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 3lll h ARG 66 CO -0.36 0.07 -1.13 -1.49 -1.51 0.00 0.00 179.97 175.55 3lll h TRP 67 N -0.43 0.00 -0.01 2.20 4.06 -0.67 -1.37 115.95 119.72 3lll h TRP 67 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3lll h TRP 67 Cb 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.50 3lll h TRP 67 CO 0.01 0.88 0.03 -0.09 -3.56 0.00 0.00 178.44 175.70 3lll h ARG 68 N 0.00 0.00 0.07 0.49 2.43 -0.34 0.47 114.38 117.51 3lll h ARG 68 Ca -0.09 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.73 3lll h ARG 68 Cb 1.75 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.27 3lll h ARG 68 CO 0.10 0.00 -1.94 0.94 -1.51 0.00 0.00 179.97 177.56 3lll n GLN 69 N -3.25 0.69 -0.26 0.20 7.27 -1.10 -3.33 117.38 117.61 3lll n GLN 69 Ca -0.03 0.32 -0.07 0.00 0.07 0.00 0.00 57.00 57.29 3lll n GLN 69 Cb 0.10 -1.68 0.05 0.00 2.41 0.00 0.00 30.24 31.12 3lll n GLN 69 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3lll h LEU 70 N -0.24 1.05 -0.55 1.69 3.38 -0.50 -1.33 115.31 118.80 3lll h LEU 70 Ca -0.45 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.22 3lll h LEU 70 Cb 1.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 3lll h LEU 70 CO -0.03 0.98 -0.04 0.58 0.09 0.00 0.00 178.44 180.02 3lll h VAL 71 N 1.06 1.27 0.62 1.22 2.07 -0.27 -0.42 116.25 121.79 3lll h VAL 71 Ca 0.23 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3lll h VAL 71 Cb 0.30 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3lll h VAL 71 CO -0.01 0.42 -0.48 -0.08 0.02 0.00 0.00 177.57 177.44 3lll h GLU 72 N 0.88 -1.02 0.00 1.57 4.57 -1.44 -1.37 114.58 117.76 3lll h GLU 72 Ca 0.15 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3lll h GLU 72 Cb 0.59 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3lll h GLU 72 CO 0.04 -0.68 0.00 1.63 -1.18 0.00 0.00 179.01 178.81 3lll n LYS 73 N -5.43 0.11 -0.59 1.92 5.02 -0.55 -4.80 118.16 113.85 3lll n LYS 73 Ca -0.13 0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 56.28 3lll n LYS 73 Cb 0.46 -1.74 0.21 0.00 -0.02 0.00 0.00 35.03 33.94 3lll n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lll n GLY 74 N -0.37 -1.28 0.12 0.72 0.00 -0.17 -4.92 105.19 99.29 3lll n GLY 74 Ca 0.02 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.26 3lll n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lll n PRO 75 N -4.32 0.76 -3.02 1.61 -0.02 -1.26 -4.74 135.00 124.00 3lll n PRO 75 Ca 0.07 -0.23 -0.44 0.00 -2.02 0.00 0.00 63.50 60.87 3lll n PRO 75 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 3lll n PRO 75 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3lll s GLN 76 N -2.41 3.47 0.00 -0.52 -0.44 -1.26 -5.00 119.66 113.50 3lll s GLN 76 Ca 0.31 -1.74 0.00 0.00 -2.50 0.00 0.00 55.36 51.44 3lll s GLN 76 Cb 0.20 -4.66 0.00 0.00 -1.64 0.00 0.00 33.01 26.91 3lll s GLN 76 CO 0.45 -1.65 0.00 0.66 0.50 0.00 0.00 175.29 175.25 3lll n TYR 77 N 6.15 -1.99 -3.17 1.67 4.02 -1.26 -4.30 117.16 118.28 3lll n TYR 77 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3lll n TYR 77 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3lll n TYR 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3lll n GLY 78 N 5.00 -2.13 0.27 2.72 0.00 -1.26 -3.77 105.19 106.01 3lll n GLY 78 Ca 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.64 3lll n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lll h THR 79 N 0.00 0.82 -0.45 2.61 1.03 -1.93 -1.52 112.91 113.47 3lll h THR 79 Ca 0.00 -0.18 -0.05 0.00 -0.01 0.00 0.00 66.41 66.17 3lll h THR 79 Cb 0.00 1.10 -0.02 0.00 -1.07 0.00 0.00 68.15 68.16 3lll h THR 79 CO 0.00 0.05 0.07 0.58 -0.01 0.00 0.00 175.52 176.21 3lll h VAL 80 N 0.00 1.21 -0.46 0.00 2.07 -1.92 -1.65 116.25 115.50 3lll h VAL 80 Ca -0.00 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3lll h VAL 80 Cb 0.10 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3lll h VAL 80 CO 0.01 0.29 0.28 -0.08 0.02 0.00 0.00 177.57 178.08 3lll h GLU 81 N 0.66 0.63 -0.00 1.57 4.81 -1.36 0.13 114.58 121.02 3lll h GLU 81 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3lll h GLU 81 Cb 0.31 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3lll h GLU 81 CO 0.00 0.47 0.00 0.87 -0.73 0.00 0.00 179.01 179.62 3lll h LYS 82 N 0.62 0.00 -0.94 1.92 1.57 -1.48 -0.00 116.57 118.25 3lll h LYS 82 Ca 0.17 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 3lll h LYS 82 Cb -0.00 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 3lll h LYS 82 CO -0.03 0.01 0.56 0.00 -0.57 0.00 0.00 179.45 179.43 3lll h ALA 83 N 0.99 1.43 0.60 3.86 0.00 -1.03 -1.09 119.26 124.02 3lll h ALA 83 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3lll h ALA 83 Cb 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3lll h ALA 83 CO -0.00 0.10 -0.29 2.35 0.00 0.00 0.00 179.25 181.41 3lll h TRP 84 N 0.85 -0.75 0.00 0.00 2.91 -0.53 -2.98 115.95 115.45 3lll h TRP 84 Ca 0.49 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.49 3lll h TRP 84 Cb 0.57 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 3lll h TRP 84 CO -0.03 -0.41 0.15 0.82 -1.03 0.00 0.00 178.44 177.94 3lll h ILE 85 N -1.03 0.00 0.00 2.65 2.04 -0.59 0.13 117.51 120.71 3lll h ILE 85 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3lll h ILE 85 Cb 0.67 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3lll h ILE 85 CO 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 3lll h ALA 86 N 1.69 1.53 0.24 1.87 0.00 -1.04 -1.91 119.26 121.64 3lll h ALA 86 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3lll h ALA 86 Cb 0.30 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3lll h ALA 86 CO 0.00 0.01 -1.48 0.28 0.00 0.00 0.00 179.25 178.06 3lll h VAL 87 N 0.00 1.29 -0.57 0.00 2.07 -1.10 -2.27 116.25 115.66 3lll h VAL 87 Ca -0.00 -2.73 0.06 0.00 0.82 0.00 0.00 66.70 64.84 3lll h VAL 87 Cb 0.02 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 3lll h VAL 87 CO 0.00 0.82 0.38 0.24 0.02 0.00 0.00 177.57 179.03 3lll h MET 88 N 0.14 0.54 -0.15 1.57 2.07 -1.49 -1.61 114.93 116.00 3lll h MET 88 Ca -0.25 -0.03 -0.15 0.00 -2.07 0.00 0.00 59.70 57.20 3lll h MET 88 Cb 2.15 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 31.76 3lll h MET 88 CO 0.26 0.36 -0.49 1.03 1.07 0.00 0.00 176.91 179.14 3lll h SER 89 N 0.56 0.70 -0.81 1.22 0.87 -1.34 -2.65 113.55 112.09 3lll h SER 89 Ca 0.25 -0.60 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 3lll h SER 89 Cb 0.26 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 3lll h SER 89 CO -0.07 1.18 0.54 1.05 -0.53 0.00 0.00 176.83 179.00 3lll h GLU 90 N 0.26 1.05 -0.66 2.24 -0.00 -0.88 0.35 114.58 116.93 3lll h GLU 90 Ca -0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.26 3lll h GLU 90 Cb 1.12 -0.24 -0.03 0.00 -0.00 0.00 0.00 28.75 29.60 3lll h GLU 90 CO 0.11 0.69 0.34 0.00 -0.00 0.00 0.00 179.01 180.15 3lll h ALA 91 N 1.50 0.85 -0.10 1.06 0.00 -1.25 -0.10 119.26 121.22 3lll h ALA 91 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3lll h ALA 91 Cb -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3lll h ALA 91 CO -0.07 0.39 0.02 0.93 0.00 0.00 0.00 179.25 180.51 3lll h GLU 92 N 0.91 0.17 0.00 0.00 5.08 -0.94 -1.25 114.58 118.55 3lll h GLU 92 Ca 0.23 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3lll h GLU 92 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3lll h GLU 92 CO -0.03 0.38 -0.24 0.00 -1.00 0.00 0.00 179.01 178.11 3lll h ARG 93 N -0.06 0.00 -0.25 2.33 3.08 -0.82 0.14 114.38 118.80 3lll h ARG 93 Ca 0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 3lll h ARG 93 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3lll h ARG 93 CO 0.00 0.24 -0.60 0.28 -1.07 0.00 0.00 179.97 178.82 3lll h VAL 94 N 0.00 1.28 -0.72 2.04 2.07 -0.90 -2.85 116.25 117.16 3lll h VAL 94 Ca -0.00 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3lll h VAL 94 Cb 0.52 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3lll h VAL 94 CO 0.03 0.58 0.41 -1.28 0.02 0.00 0.00 177.57 177.33 3lll h SER 95 N 0.62 0.87 -0.70 0.57 0.87 -0.10 -0.92 113.55 114.77 3lll h SER 95 Ca -0.00 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3lll h SER 95 Cb 1.22 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 3lll h SER 95 CO 0.13 0.69 0.37 -0.33 -0.53 0.00 0.00 176.83 177.16 3lll h GLU 96 N 1.00 1.00 0.19 2.24 5.08 -0.93 0.42 114.58 123.58 3lll h GLU 96 Ca 0.26 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3lll h GLU 96 Cb -0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3lll h GLU 96 CO -0.04 0.75 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.56 3lll h LEU 97 N 1.00 -0.22 -1.65 1.33 3.38 -1.12 -2.34 115.31 115.69 3lll h LEU 97 Ca 0.25 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3lll h LEU 97 Cb 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3lll h LEU 97 CO -0.04 0.24 -0.20 0.45 0.09 0.00 0.00 178.44 178.98 3lll h HIS 98 N -0.73 0.00 0.00 1.13 3.86 -1.06 0.14 115.15 118.49 3lll h HIS 98 Ca -0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3lll h HIS 98 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 3lll h HIS 98 CO 0.06 0.20 -0.08 1.25 0.86 0.00 0.00 177.93 180.22 3lll h LEU 99 N 0.00 0.00 0.10 2.43 5.85 -0.16 -2.67 115.31 120.86 3lll h LEU 99 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 3lll h LEU 99 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3lll h LEU 99 CO 0.03 0.08 -1.22 -0.08 -0.34 0.00 0.00 178.44 176.91 3lll h GLU 100 N 0.00 0.21 0.16 1.25 4.57 -0.18 -3.29 114.58 117.29 3lll h GLU 100 Ca -0.00 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3lll h GLU 100 Cb 0.68 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3lll h GLU 100 CO 0.01 1.15 -0.24 0.28 -1.18 0.00 0.00 179.01 179.03 3lll h VAL 101 N 0.06 0.47 -0.59 0.32 2.07 -0.93 -0.93 116.25 116.72 3lll h VAL 101 Ca -0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3lll h VAL 101 Cb 1.93 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 3lll h VAL 101 CO 0.18 0.00 -0.46 0.50 0.02 0.00 0.00 177.57 177.81 3lll h LYS 102 N -0.46 -0.14 -0.80 1.57 3.64 -1.62 0.65 116.57 119.41 3lll h LYS 102 Ca 0.02 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3lll h LYS 102 Cb 0.47 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 3lll h LYS 102 CO -0.11 -0.09 0.46 0.00 -2.27 0.00 0.00 179.45 177.44 3lll h ALA 103 N -0.03 1.12 0.00 5.00 0.00 -1.59 -0.52 119.26 123.24 3lll h ALA 103 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3lll h ALA 103 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3lll h ALA 103 CO -0.63 0.12 -0.12 0.77 0.00 0.00 0.00 179.25 179.40 3lll h SER 104 N 0.80 0.00 0.34 0.00 0.02 0.30 0.31 113.55 115.32 3lll h SER 104 Ca 0.37 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.00 3lll h SER 104 Cb 0.29 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.86 3lll h SER 104 CO -0.22 0.12 -1.48 -0.07 -1.14 0.00 0.00 176.83 174.04 3lll h LEU 105 N 0.00 0.72 0.00 5.07 3.38 0.55 -3.15 115.31 121.88 3lll h LEU 105 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3lll h LEU 105 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3lll h LEU 105 CO 0.02 1.64 -0.28 0.24 0.09 0.00 0.00 178.44 180.14 3lll h MET 106 N 0.13 0.00 -0.41 1.13 2.86 -0.72 0.58 114.93 118.50 3lll h MET 106 Ca -0.24 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3lll h MET 106 Cb 2.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.76 3lll h MET 106 CO 0.25 0.00 0.29 -0.91 1.06 0.00 0.00 176.91 177.59 3lll h ASN 107 N -0.89 0.15 0.00 1.22 2.35 -0.64 -2.50 115.58 115.27 3lll h ASN 107 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3lll h ASN 107 Cb 0.28 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3lll h ASN 107 CO 0.00 0.09 0.00 -0.62 -1.65 0.00 0.00 177.43 175.25 3lll n GLU 108 N -4.45 0.00 0.27 0.81 1.02 -1.24 -4.55 120.64 112.50 3lll n GLU 108 Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.03 3lll n GLU 108 Cb 0.37 -0.15 -0.09 0.00 -0.02 0.00 0.00 31.44 31.55 3lll n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3lll h ASP 109 N 0.00 -1.27 -0.10 1.62 3.32 -1.48 0.13 116.42 118.63 3lll h ASP 109 Ca 0.00 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3lll h ASP 109 Cb 0.00 0.42 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 3lll h ASP 109 CO 0.00 -0.62 -0.53 0.15 -1.72 0.00 0.00 179.24 176.53 3lll h PHE 110 N -0.93 -1.56 -0.65 4.55 3.04 0.19 -1.80 116.94 119.78 3lll h PHE 110 Ca -0.06 0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.00 3lll h PHE 110 Cb 0.80 0.70 -0.05 0.00 2.56 0.00 0.00 35.95 39.96 3lll h PHE 110 CO -0.24 -0.55 0.37 0.93 -2.02 0.00 0.00 178.31 176.81 3lll h GLU 111 N -0.60 0.69 -0.03 1.11 4.39 -1.42 -0.35 114.58 118.37 3lll h GLU 111 Ca 0.03 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3lll h GLU 111 Cb 0.69 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3lll h GLU 111 CO -0.42 0.45 0.16 -0.22 -1.16 0.00 0.00 179.01 177.83 3lll h LYS 112 N 0.71 0.00 0.01 2.33 3.64 -0.02 0.22 116.57 123.47 3lll h LYS 112 Ca 0.28 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.44 3lll h LYS 112 Cb 0.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3lll h LYS 112 CO -0.16 0.00 -1.22 0.82 -2.27 0.00 0.00 179.45 176.63 3lll h ILE 113 N 0.00 0.97 -0.75 2.00 2.04 -0.31 -3.27 117.51 118.20 3lll h ILE 113 Ca 0.01 -2.21 0.15 0.00 1.00 0.00 0.00 64.86 63.81 3lll h ILE 113 Cb 0.34 2.35 -0.10 0.00 -0.74 0.00 0.00 36.82 38.67 3lll h ILE 113 CO -0.00 0.39 0.27 0.50 0.00 0.00 0.00 178.15 179.30 3lll h LYS 114 N -0.90 0.38 -0.45 2.37 3.64 0.04 -0.04 116.57 121.61 3lll h LYS 114 Ca -0.33 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 3lll h LYS 114 Cb 1.35 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3lll h LYS 114 CO -0.16 0.25 0.13 -0.91 -2.27 0.00 0.00 179.45 176.48 3lll h ASN 115 N 0.39 0.67 -0.37 4.20 2.35 -1.19 -2.76 115.58 118.86 3lll h ASN 115 Ca 0.41 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3lll h ASN 115 Cb 0.66 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3lll h ASN 115 CO -0.43 0.71 0.13 -0.25 -1.65 0.00 0.00 177.43 175.94 3lll h TRP 116 N 0.59 0.65 -0.60 1.19 7.01 -1.29 -1.77 115.95 121.73 3lll h TRP 116 Ca 0.14 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 3lll h TRP 116 Cb 0.29 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 3lll h TRP 116 CO 0.02 0.54 0.01 0.37 -2.79 0.00 0.00 178.44 176.59 3lll h GLN 117 N 0.63 1.03 -0.09 2.65 4.15 -0.81 -2.86 115.11 119.81 3lll h GLN 117 Ca 0.15 -0.31 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 3lll h GLN 117 Cb 0.20 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3lll h GLN 117 CO -0.01 1.00 -0.36 0.87 -1.93 0.00 0.00 178.83 178.40 3lll h LYS 118 N 0.95 0.41 -0.22 1.69 1.57 -1.21 -1.90 116.57 117.85 3lll h LYS 118 Ca 0.17 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3lll h LYS 118 Cb 0.53 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3lll h LYS 118 CO 0.03 0.95 0.00 0.39 -0.57 0.00 0.00 179.45 180.24 3lll n GLU 119 N -4.37 0.75 0.00 3.15 -0.58 -0.69 -2.73 120.64 116.16 3lll n GLU 119 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3lll n GLU 119 Cb 0.52 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 3lll n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lll n ALA 120 N -0.31 0.59 -2.59 0.62 0.00 -1.09 -5.04 120.51 112.69 3lll n ALA 120 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3lll n ALA 120 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 3lll n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3lll s PHE 121 N -0.52 1.33 -0.15 0.00 0.08 -0.72 -4.94 117.98 113.05 3lll s PHE 121 Ca 0.00 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 3lll s PHE 121 Cb 0.00 -0.81 0.05 0.00 -0.57 0.00 0.00 43.02 41.68 3lll s PHE 121 CO 0.00 0.02 0.01 -1.01 -0.10 0.00 0.00 175.22 174.14 3lll s HIS 122 N -0.65 1.02 -0.35 0.36 3.76 -1.26 -4.67 115.29 113.49 3lll s HIS 122 Ca 0.04 -0.67 -0.28 0.00 -0.15 0.00 0.00 55.06 54.00 3lll s HIS 122 Cb -0.07 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 3lll s HIS 122 CO 0.01 -0.52 1.73 0.15 -0.85 0.00 0.00 174.74 175.26 3lll s LYS 123 N 1.86 3.36 0.72 1.40 1.02 -1.26 -0.22 119.74 126.62 3lll s LYS 123 Ca 0.01 1.32 -0.16 0.00 0.02 0.00 0.00 55.97 57.16 3lll s LYS 123 Cb -0.15 -4.17 0.03 0.00 -0.52 0.00 0.00 37.83 33.02 3lll s LYS 123 CO -0.07 -1.83 1.25 -1.14 -0.92 0.00 0.00 175.35 172.64 3lll s GLN 124 N 5.57 2.13 0.06 1.68 0.74 -0.82 -4.88 119.66 124.14 3lll s GLN 124 Ca 0.76 1.90 -0.37 0.00 0.05 0.00 0.00 55.36 57.70 3lll s GLN 124 Cb -0.21 -1.81 -0.21 0.00 1.10 0.00 0.00 33.01 31.88 3lll s GLN 124 CO 0.33 -1.88 1.57 1.98 -0.55 0.00 0.00 175.29 176.74 3lll h MET 125 N -0.15 -1.27 0.45 1.67 1.85 -1.93 -3.28 114.93 112.27 3lll h MET 125 Ca -0.49 0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 58.68 3lll h MET 125 Cb 1.32 0.29 -0.02 0.00 0.43 0.00 0.00 31.60 33.61 3lll h MET 125 CO 0.50 -0.84 -0.45 0.52 -0.40 0.00 0.00 176.91 176.23 3lll h MET 126 N -1.31 -0.88 -2.04 0.39 2.86 -2.03 -3.48 114.93 108.43 3lll h MET 126 Ca -0.13 0.06 0.38 0.00 -2.06 0.00 0.00 59.70 57.95 3lll h MET 126 Cb 1.01 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 3lll h MET 126 CO 0.21 -0.58 0.96 0.20 1.06 0.00 0.00 176.91 178.75 3lll s GLY 127 N -2.18 -0.18 0.00 8.32 0.00 -1.24 -5.16 107.32 106.89 3lll s GLY 127 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3lll s GLY 127 CO 0.62 6.13 0.00 0.61 0.00 0.00 0.00 173.10 180.46 3lll n GLY 128 N -0.93 0.88 3.38 0.20 0.00 -1.26 -4.19 105.19 103.27 3lll n GLY 128 Ca 0.05 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3lll n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lll s PHE 129 N 0.00 1.90 0.09 1.61 0.40 -1.26 -1.94 117.98 118.78 3lll s PHE 129 Ca 0.00 -0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 3lll s PHE 129 Cb 0.00 -0.87 -0.13 0.00 0.51 0.00 0.00 43.02 42.53 3lll s PHE 129 CO 0.00 0.45 1.65 -0.22 0.70 0.00 0.00 175.22 177.80 3lll h LYS 130 N 2.62 -0.54 0.00 0.44 3.64 -0.93 -1.40 116.57 120.40 3lll h LYS 130 Ca -0.39 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3lll h LYS 130 Cb 1.23 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3lll h LYS 130 CO 0.59 -0.36 0.00 -0.85 -2.27 0.00 0.00 179.45 176.56 3lll n GLU 131 N -5.38 0.14 -0.08 1.90 0.00 -1.26 -1.29 120.64 114.68 3lll n GLU 131 Ca -0.09 0.54 -0.12 0.00 0.00 0.00 0.00 57.16 57.48 3lll n GLU 131 Cb 0.28 -1.88 -0.09 0.00 0.00 0.00 0.00 31.44 29.76 3lll n GLU 131 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3lll h THR 132 N 0.00 1.00 0.00 3.84 2.02 -1.75 -3.16 112.91 114.86 3lll h THR 132 Ca 0.00 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 3lll h THR 132 Cb 0.14 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3lll h THR 132 CO 0.00 0.34 -0.01 0.50 0.37 0.00 0.00 175.52 176.72 3lll h LYS 133 N -1.00 0.00 -0.07 6.66 3.64 -0.88 -2.34 116.57 122.58 3lll h LYS 133 Ca -0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 3lll h LYS 133 Cb 0.84 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3lll h LYS 133 CO -0.06 0.01 -0.60 0.93 -2.27 0.00 0.00 179.45 177.46 3lll h GLU 134 N 0.00 0.52 -0.55 1.90 5.08 -1.31 -1.95 114.58 118.26 3lll h GLU 134 Ca -0.00 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3lll h GLU 134 Cb 0.03 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3lll h GLU 134 CO 0.00 1.10 0.36 0.00 -1.00 0.00 0.00 179.01 179.48 3lll h ALA 135 N 0.42 0.70 0.51 3.43 0.00 -1.39 0.35 119.26 123.29 3lll h ALA 135 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3lll h ALA 135 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3lll h ALA 135 CO 0.12 0.13 -0.38 1.49 0.00 0.00 0.00 179.25 180.61 3lll h GLU 136 N 0.74 -0.84 -0.54 0.00 4.57 -1.51 0.17 114.58 117.17 3lll h GLU 136 Ca 0.20 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.55 3lll h GLU 136 Cb -0.08 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 3lll h GLU 136 CO -0.05 -0.56 -0.04 -0.44 -1.18 0.00 0.00 179.01 176.75 3lll h ASP 137 N -0.87 -0.31 0.18 1.04 3.32 -1.12 -0.48 116.42 118.18 3lll h ASP 137 Ca -0.06 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3lll h ASP 137 Cb 0.74 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3lll h ASP 137 CO 0.01 -0.11 -0.17 1.23 -1.72 0.00 0.00 179.24 178.48 3lll h GLY 138 N 0.08 -0.37 1.03 2.75 0.00 0.07 -2.45 103.07 104.19 3lll h GLY 138 Ca 0.27 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.82 3lll h GLY 138 CO -0.49 -0.17 0.61 0.74 0.00 0.00 0.00 176.54 177.23 3lll h PHE 139 N -0.37 1.14 0.12 5.60 0.04 -0.28 -2.10 116.94 121.08 3lll h PHE 139 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3lll h PHE 139 Cb 0.35 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 3lll h PHE 139 CO -0.14 0.69 -0.08 0.00 -0.60 0.00 0.00 178.31 178.18 3lll h ARG 140 N 1.20 -0.18 0.00 1.51 3.08 -0.74 -2.10 114.38 117.15 3lll h ARG 140 Ca 0.35 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3lll h ARG 140 Cb -0.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3lll h ARG 140 CO -0.09 -0.12 0.00 1.63 -1.07 0.00 0.00 179.97 180.32 3lll n LYS 141 N -2.67 0.23 0.00 0.04 5.02 -0.95 -0.10 118.16 119.72 3lll n LYS 141 Ca -0.02 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3lll n LYS 141 Cb 0.08 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.70 3lll n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lll n ALA 142 N -1.15 2.90 0.00 7.82 0.00 -0.79 -4.29 120.51 125.01 3lll n ALA 142 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3lll n ALA 142 Cb 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3lll n ALA 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3lll n GLN 143 N 0.66 3.29 -0.06 0.00 7.27 0.86 -4.25 117.38 125.15 3lll n GLN 143 Ca 0.13 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 3lll n GLN 143 Cb 0.52 -0.56 -0.05 0.00 2.41 0.00 0.00 30.24 32.55 3lll n GLN 143 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3lll h LYS 144 N 0.00 -0.40 0.11 3.69 3.64 -0.78 -0.87 116.57 121.95 3lll h LYS 144 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3lll h LYS 144 Cb 0.00 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3lll h LYS 144 CO 0.00 -0.27 -0.07 -1.35 -2.27 0.00 0.00 179.45 175.49 3lll h PRO 145 N -0.41 -0.17 0.00 1.90 0.11 -1.87 0.11 132.00 131.67 3lll h PRO 145 Ca 0.10 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3lll h PRO 145 Cb 0.60 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3lll h PRO 145 CO -0.48 -0.11 0.00 2.35 -0.21 0.00 0.00 178.00 179.55 3lll h TRP 146 N -0.17 0.00 0.09 0.65 7.01 -1.81 -0.21 115.95 121.51 3lll h TRP 146 Ca -0.01 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.68 3lll h TRP 146 Cb 0.15 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 3lll h TRP 146 CO -0.09 0.00 -1.67 0.00 -2.79 0.00 0.00 178.44 173.89 3lll h ALA 147 N 2.02 0.33 0.04 2.65 0.00 -0.16 -3.22 119.26 120.91 3lll h ALA 147 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 54.91 53.63 3lll h ALA 147 Cb 0.08 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3lll h ALA 147 CO 0.00 1.04 -0.02 -0.22 0.00 0.00 0.00 179.25 180.05 3lll h LYS 148 N -0.30 -0.05 0.00 0.00 3.64 -0.25 -2.26 116.57 117.35 3lll h LYS 148 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3lll h LYS 148 Cb 1.78 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3lll h LYS 148 CO 0.00 0.28 0.00 1.63 -2.27 0.00 0.00 179.45 179.09 3lll n LYS 149 N -4.96 0.59 0.04 1.90 4.76 -0.14 -0.55 118.16 119.79 3lll n LYS 149 Ca -0.08 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.47 3lll n LYS 149 Cb 0.19 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 3lll n LYS 149 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3lll n LEU 150 N -0.71 0.54 0.11 -0.35 7.94 -0.86 -4.02 117.00 119.64 3lll n LEU 150 Ca 0.06 0.05 -0.23 0.00 -1.11 0.00 0.00 56.01 54.78 3lll n LEU 150 Cb 0.03 -0.06 -0.15 0.00 0.53 0.00 0.00 43.42 43.77 3lll n LEU 150 CO 0.05 -0.01 -0.11 0.11 -1.11 0.00 0.00 177.39 176.31 3lll h LYS 151 N 0.00 0.52 -0.77 1.96 1.79 -0.70 -1.72 116.57 117.64 3lll h LYS 151 Ca 0.00 -0.80 0.11 0.00 -2.18 0.00 0.00 60.65 57.78 3lll h LYS 151 Cb 0.85 0.29 -0.08 0.00 -1.58 0.00 0.00 32.23 31.70 3lll h LYS 151 CO 0.00 1.37 0.39 0.93 -1.08 0.00 0.00 179.45 181.06 3lll h GLU 152 N 0.07 0.61 0.08 3.15 3.07 -1.72 0.64 114.58 120.47 3lll h GLU 152 Ca -0.21 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3lll h GLU 152 Cb 1.95 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.73 3lll h GLU 152 CO 0.23 0.40 -0.04 0.28 -1.40 0.00 0.00 179.01 178.49 3lll h VAL 153 N 0.62 1.10 -0.04 3.13 2.07 -1.69 -1.95 116.25 119.49 3lll h VAL 153 Ca 0.39 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3lll h VAL 153 Cb 0.46 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3lll h VAL 153 CO -0.30 0.17 -0.36 -0.08 0.02 0.00 0.00 177.57 177.02 3lll h GLU 154 N -0.42 0.08 0.00 1.57 4.57 -0.84 0.56 114.58 120.11 3lll h GLU 154 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3lll h GLU 154 Cb 0.35 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3lll h GLU 154 CO 0.02 0.43 -0.14 0.00 -1.18 0.00 0.00 179.01 178.14 3lll h ALA 155 N 1.57 0.95 0.00 2.92 0.00 0.28 -2.97 119.26 122.01 3lll h ALA 155 Ca 0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3lll h ALA 155 Cb 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3lll h ALA 155 CO 0.05 0.17 -1.21 0.00 0.00 0.00 0.00 179.25 178.26 3lll h ALA 156 N 1.86 0.64 -0.22 0.00 0.00 -0.44 -3.18 119.26 117.92 3lll h ALA 156 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 3lll h ALA 156 Cb 0.87 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3lll h ALA 156 CO 0.02 1.04 0.03 -0.22 0.00 0.00 0.00 179.25 180.11 3lll h LYS 157 N 0.00 0.37 -0.08 0.00 3.64 -0.79 0.45 116.57 120.16 3lll h LYS 157 Ca -0.13 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3lll h LYS 157 Cb 1.65 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3lll h LYS 157 CO 0.07 0.52 0.00 1.17 -2.27 0.00 0.00 179.45 178.94 3lll n LYS 158 N -4.71 1.21 -0.04 1.90 4.81 -1.14 -0.85 118.16 119.33 3lll n LYS 158 Ca -0.04 -0.32 -0.01 0.00 -0.87 0.00 0.00 58.31 57.07 3lll n LYS 158 Cb 0.20 -1.10 -0.12 0.00 0.02 0.00 0.00 35.03 34.04 3lll n LYS 158 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lll n ALA 159 N -0.27 2.04 -0.08 3.14 0.00 -0.73 -4.22 120.51 120.39 3lll n ALA 159 Ca 0.04 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.56 3lll n ALA 159 Cb 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.14 3lll n ALA 159 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3lll n HIS 160 N -2.33 0.51 0.98 0.00 -0.00 0.07 -3.40 115.22 111.04 3lll n HIS 160 Ca -0.15 0.12 0.09 0.00 -0.00 0.00 0.00 57.72 57.77 3lll n HIS 160 Cb 0.74 -1.07 0.48 0.00 -0.00 0.00 0.00 29.99 30.14 3lll n HIS 160 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3lll n HIS 161 N -3.45 0.00 -0.10 1.57 -0.00 -0.03 0.74 115.22 113.94 3lll n HIS 161 Ca -0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.20 3lll n HIS 161 Cb 0.99 -0.11 -0.14 0.00 -0.00 0.00 0.00 29.99 30.73 3lll n HIS 161 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3lll n THR 162 N -1.11 1.35 0.07 1.59 -1.04 -1.26 -3.86 114.28 110.02 3lll n THR 162 Ca 0.11 -0.76 -0.23 0.00 -2.04 0.00 0.00 64.05 61.13 3lll n THR 162 Cb 0.09 -0.68 -0.15 0.00 -1.82 0.00 0.00 70.33 67.77 3lll n THR 162 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lll h ALA 163 N 0.75 0.18 0.00 2.41 0.00 -1.39 -2.50 119.26 118.71 3lll h ALA 163 Ca -0.53 -1.17 -0.04 0.00 0.00 0.00 0.00 54.91 53.18 3lll h ALA 163 Cb 2.12 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 20.39 3lll h ALA 163 CO 0.00 1.05 -0.17 0.00 0.00 0.00 0.00 179.25 180.13 3lll h LYS 165 N 0.00 0.00 0.00 0.00 3.64 -1.67 -3.25 116.57 115.29 3lll h LYS 165 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3lll h LYS 165 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3lll h LYS 165 CO 0.02 0.00 -0.40 1.49 -2.27 0.00 0.00 179.45 178.29 3lll h GLU 166 N 0.00 0.00 -0.12 1.90 4.57 -0.39 -3.21 114.58 117.34 3lll h GLU 166 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3lll h GLU 166 Cb 0.94 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3lll h GLU 166 CO 0.00 0.40 -0.09 1.49 -1.18 0.00 0.00 179.01 179.64 3lll h GLU 167 N 0.00 0.27 0.00 1.92 4.81 -1.04 -2.79 114.58 117.75 3lll h GLU 167 Ca -0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3lll h GLU 167 Cb 1.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3lll h GLU 167 CO 0.05 0.64 -0.05 0.87 -0.73 0.00 0.00 179.01 179.79 3lll h LYS 168 N -0.11 0.00 -0.29 1.92 1.79 -1.67 -0.84 116.57 117.37 3lll h LYS 168 Ca 0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 3lll h LYS 168 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3lll h LYS 168 CO 0.02 0.05 -0.46 1.25 -1.08 0.00 0.00 179.45 179.23 3lll h LEU 169 N 0.00 0.84 -0.20 2.94 5.85 -1.51 -1.60 115.31 121.63 3lll h LEU 169 Ca -0.00 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 3lll h LEU 169 Cb 0.18 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3lll h LEU 169 CO 0.01 1.17 -0.34 0.00 -0.34 0.00 0.00 178.44 178.93 3lll h ALA 170 N 0.86 0.31 -0.01 1.25 0.00 -0.98 -0.94 119.26 119.74 3lll h ALA 170 Ca 0.04 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3lll h ALA 170 Cb 1.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3lll h ALA 170 CO 0.10 0.36 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 3lll h ILE 171 N 0.25 1.02 0.08 0.00 2.04 -1.19 -1.73 117.51 117.98 3lll h ILE 171 Ca 0.01 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3lll h ILE 171 Cb 0.93 1.02 0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3lll h ILE 171 CO 0.08 0.02 -0.45 -1.28 0.00 0.00 0.00 178.15 176.52 3lll h SER 172 N 0.01 0.26 -0.07 1.72 0.87 -1.16 -3.29 113.55 111.90 3lll h SER 172 Ca 0.00 -0.97 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 3lll h SER 172 Cb 0.03 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3lll h SER 172 CO 0.00 1.22 0.00 0.54 -0.53 0.00 0.00 176.83 178.06 3lll n ARG 173 N -4.34 1.45 -0.11 2.24 1.74 -0.37 -3.25 116.66 114.02 3lll n ARG 173 Ca -0.12 -0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 56.45 3lll n ARG 173 Cb 0.67 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.42 3lll n ARG 173 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3lll n GLU 174 N 0.05 0.75 -0.89 5.56 0.00 -0.67 -4.38 120.64 121.05 3lll n GLU 174 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 57.16 57.13 3lll n GLU 174 Cb 0.34 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.48 3lll n GLU 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3lll n ALA 175 N -2.93 4.54 2.00 4.31 0.00 -1.20 -4.35 120.51 122.87 3lll n ALA 175 Ca -0.37 -2.05 0.16 0.00 0.00 0.00 0.00 53.44 51.18 3lll n ALA 175 Cb 1.06 -1.28 0.94 0.00 0.00 0.00 0.00 19.45 20.17 3lll n ALA 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3lll n ASN 176 N -0.40 0.00 -2.30 0.00 3.02 -1.26 -3.67 115.26 110.66 3lll n ASN 176 Ca 0.40 -1.01 -0.30 0.00 -0.03 0.00 0.00 54.58 53.63 3lll n ASN 176 Cb 1.30 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.51 3lll n ASN 176 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3lll n SER 177 N -0.99 6.17 -0.95 6.41 2.88 -1.26 -4.53 113.62 121.35 3lll n SER 177 Ca 0.24 -3.77 0.12 0.00 -1.33 0.00 0.00 58.87 54.13 3lll n SER 177 Cb 0.11 -0.66 0.15 0.00 -0.75 0.00 0.00 64.21 63.05 3lll n SER 177 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3lll n LYS 178 N -0.73 2.30 0.00 -1.46 2.85 -1.24 -4.55 118.16 115.34 3lll n LYS 178 Ca 0.51 -1.90 0.00 0.00 -1.05 0.00 0.00 58.31 55.87 3lll n LYS 178 Cb 0.73 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 3lll n LYS 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3lll n ALA 179 N 1.28 1.95 -2.93 0.58 0.00 -1.26 -5.03 120.51 115.10 3lll n ALA 179 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3lll n ALA 179 Cb 0.58 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.11 3lll n ALA 179 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3lll s ASP 180 N -3.25 5.77 -0.75 0.00 -4.77 -1.26 -4.98 116.67 107.43 3lll s ASP 180 Ca 0.00 -1.16 -0.07 0.00 -3.30 0.00 0.00 52.55 48.02 3lll s ASP 180 Cb 0.00 -2.04 -0.14 0.00 -1.09 0.00 0.00 42.92 39.66 3lll s ASP 180 CO 0.00 -0.46 2.79 -2.65 0.70 0.00 0.00 175.17 175.55 3lll n PRO 181 N 5.01 2.41 0.00 2.11 -0.02 -1.26 -4.81 135.00 138.44 3lll n PRO 181 Ca -0.11 -1.42 0.00 0.00 -2.02 0.00 0.00 63.50 59.95 3lll n PRO 181 Cb 0.45 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3lll n PRO 181 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3lll n SER 182 N 3.31 0.00 -3.87 2.55 3.41 -1.26 -4.73 113.62 113.03 3lll n SER 182 Ca 0.51 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.72 3lll n SER 182 Cb 0.43 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 3lll n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3lll n LEU 183 N 0.00 4.34 -0.22 1.04 4.77 -1.26 -4.77 117.00 120.90 3lll n LEU 183 Ca 0.00 -3.18 0.01 0.00 -0.03 0.00 0.00 56.01 52.80 3lll n LEU 183 Cb 0.00 -1.34 0.12 0.00 -2.33 0.00 0.00 43.42 39.87 3lll n LEU 183 CO 0.00 -0.40 1.02 0.78 -1.33 0.00 0.00 177.39 177.46 3lll h ASN 184 N 7.95 0.34 0.50 -1.43 2.35 -1.94 0.12 115.58 123.47 3lll h ASN 184 Ca 0.41 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 3lll h ASN 184 Cb 0.73 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3lll h ASN 184 CO 1.79 0.19 -0.46 -0.65 -1.65 0.00 0.00 177.43 176.65 3lll h PRO 185 N 0.50 -0.92 0.00 0.81 0.11 -2.00 -1.60 132.00 128.90 3lll h PRO 185 Ca 0.33 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3lll h PRO 185 Cb 0.37 0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3lll h PRO 185 CO -0.29 -0.61 0.00 0.39 -0.21 0.00 0.00 178.00 177.28 3lll n GLU 186 N -5.26 0.16 0.00 1.05 -0.58 -1.15 -3.07 120.64 111.79 3lll n GLU 186 Ca -0.11 0.45 -0.01 0.00 -0.42 0.00 0.00 57.16 57.07 3lll n GLU 186 Cb 0.43 -1.84 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3lll n GLU 186 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3lll h GLN 187 N 0.00 -0.04 0.00 3.49 5.75 -0.29 -2.97 115.11 121.05 3lll h GLN 187 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3lll h GLN 187 Cb 0.27 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3lll h GLN 187 CO 0.00 -0.02 0.00 -0.11 -2.65 0.00 0.00 178.83 176.05 3lll n LEU 188 N -2.93 0.00 -0.04 -2.39 7.94 -0.66 -0.48 117.00 118.44 3lll n LEU 188 Ca -0.00 0.47 -0.18 0.00 -1.11 0.00 0.00 56.01 55.19 3lll n LEU 188 Cb 0.02 -0.47 -0.13 0.00 0.53 0.00 0.00 43.42 43.36 3lll n LEU 188 CO 0.01 -0.38 0.02 0.50 -1.11 0.00 0.00 177.39 176.42 3lll h LYS 189 N 0.00 0.10 -0.01 1.96 3.64 -1.65 -3.19 116.57 117.41 3lll h LYS 189 Ca 0.00 -0.18 -0.25 0.00 -1.27 0.00 0.00 60.65 58.95 3lll h LYS 189 Cb 0.09 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3lll h LYS 189 CO 0.00 1.08 -1.00 -0.22 -2.27 0.00 0.00 179.45 177.05 3lll h LYS 190 N -0.75 0.63 -0.46 1.90 3.64 -1.11 -2.49 116.57 117.93 3lll h LYS 190 Ca -0.14 -0.67 -0.00 0.00 -1.27 0.00 0.00 60.65 58.57 3lll h LYS 190 Cb 1.32 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 3lll h LYS 190 CO 0.00 1.26 0.28 -0.07 -2.27 0.00 0.00 179.45 178.66 3lll h LEU 191 N 0.37 0.55 -0.04 5.20 3.38 -0.96 -0.50 115.31 123.30 3lll h LEU 191 Ca -0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3lll h LEU 191 Cb 1.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3lll h LEU 191 CO 0.19 0.44 -0.01 1.67 0.09 0.00 0.00 178.44 180.81 3lll n GLN 192 N -4.73 0.64 0.01 1.13 7.27 -1.20 -2.69 117.38 117.81 3lll n GLN 192 Ca 0.01 -0.04 -0.20 0.00 0.07 0.00 0.00 57.00 56.84 3lll n GLN 192 Cb 0.05 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.06 3lll n GLN 192 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 3lll h ASP 193 N 0.11 0.39 0.33 1.69 3.58 -0.76 -3.30 116.42 118.46 3lll h ASP 193 Ca 0.00 -0.85 -0.23 0.00 0.42 0.00 0.00 57.03 56.37 3lll h ASP 193 Cb 0.22 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3lll h ASP 193 CO 0.00 1.76 -0.97 0.11 -2.88 0.00 0.00 179.24 177.26 3lll h LYS 194 N 0.07 0.42 0.00 0.28 1.79 -1.12 -2.73 116.57 115.28 3lll h LYS 194 Ca -0.40 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 57.60 3lll h LYS 194 Cb 2.04 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.82 3lll h LYS 194 CO 0.10 1.13 0.00 -0.84 -1.08 0.00 0.00 179.45 178.76 3lll h ILE 195 N 0.23 0.00 0.16 1.86 3.07 -1.69 -0.64 117.51 120.49 3lll h ILE 195 Ca -0.09 -0.43 -0.34 0.00 1.55 0.00 0.00 64.86 65.56 3lll h ILE 195 Cb 1.61 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3lll h ILE 195 CO 0.17 0.00 -1.72 -0.08 -1.05 0.00 0.00 178.15 175.47 3lll h GLU 196 N 0.00 0.33 0.00 0.16 4.57 -1.62 -2.59 114.58 115.43 3lll h GLU 196 Ca 0.00 -0.56 -0.05 0.00 -1.18 0.00 0.00 59.36 57.57 3lll h GLU 196 Cb 0.50 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3lll h GLU 196 CO 0.00 1.27 -0.23 0.87 -1.18 0.00 0.00 179.01 179.74 3lll h LYS 197 N -0.01 0.00 0.00 1.92 1.57 -1.33 -2.47 116.57 116.25 3lll h LYS 197 Ca -0.35 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.25 3lll h LYS 197 Cb 2.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.28 3lll h LYS 197 CO 0.13 0.23 -0.95 0.00 -0.57 0.00 0.00 179.45 178.28 3lll h LYS 199 N 0.00 0.26 0.00 0.00 1.63 -1.02 -1.56 116.57 115.88 3lll h LYS 199 Ca -0.05 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 3lll h LYS 199 Cb 1.64 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.22 3lll h LYS 199 CO 0.09 0.30 -0.33 1.96 -3.45 0.00 0.00 179.45 178.02 3lll h GLN 200 N 0.17 0.00 -0.24 1.90 4.20 -1.62 -2.82 115.11 116.69 3lll h GLN 200 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3lll h GLN 200 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3lll h GLN 200 CO -0.01 0.33 0.09 0.22 -0.67 0.00 0.00 178.83 178.80 3lll h ASP 201 N 0.00 0.34 0.77 1.46 3.58 -1.10 -0.15 116.42 121.32 3lll h ASP 201 Ca -0.00 -0.18 -0.13 0.00 0.42 0.00 0.00 57.03 57.14 3lll h ASP 201 Cb 1.09 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 3lll h ASP 201 CO 0.04 0.43 -0.61 0.58 -2.88 0.00 0.00 179.24 176.80 3lll h VAL 202 N 0.24 1.32 0.01 2.25 2.07 -1.31 -2.93 116.25 117.89 3lll h VAL 202 Ca 0.08 -2.16 -0.25 0.00 0.82 0.00 0.00 66.70 65.19 3lll h VAL 202 Cb 0.19 2.20 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3lll h VAL 202 CO -0.01 0.60 -1.01 -0.07 0.02 0.00 0.00 177.57 177.10 3lll h LEU 203 N 0.00 0.76 -0.85 2.57 3.38 -1.33 -2.62 115.31 117.22 3lll h LEU 203 Ca -0.01 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 3lll h LEU 203 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3lll h LEU 203 CO 0.08 1.41 -0.49 0.07 0.09 0.00 0.00 178.44 179.60 3lll h LYS 204 N 0.32 0.00 -0.08 1.13 2.10 -1.05 -1.85 116.57 117.14 3lll h LYS 204 Ca -0.11 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.38 3lll h LYS 204 Cb 1.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.00 3lll h LYS 204 CO 0.19 0.49 -0.55 1.15 -2.00 0.00 0.00 179.45 178.74 3lll h THR 205 N 0.00 1.37 -0.64 0.07 2.02 -1.53 -2.59 112.91 111.60 3lll h THR 205 Ca -0.00 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.25 3lll h THR 205 Cb 0.99 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 3lll h THR 205 CO 0.06 0.57 0.27 0.50 0.37 0.00 0.00 175.52 177.29 3lll h LYS 206 N 0.10 0.94 -0.50 6.66 3.64 -1.41 0.19 116.57 126.18 3lll h LYS 206 Ca -0.04 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3lll h LYS 206 Cb 1.20 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 3lll h LYS 206 CO 0.11 0.76 0.26 0.22 -2.27 0.00 0.00 179.45 178.53 3lll h ASP 207 N 0.92 0.64 0.81 4.20 1.82 -1.30 0.19 116.42 123.71 3lll h ASP 207 Ca 0.22 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3lll h ASP 207 Cb 0.16 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3lll h ASP 207 CO -0.02 0.57 -0.14 0.29 -1.61 0.00 0.00 179.24 178.34 3lll n LYS 208 N -4.63 0.06 0.07 0.28 5.02 -0.98 -2.75 118.16 115.23 3lll n LYS 208 Ca 0.02 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3lll n LYS 208 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3lll n LYS 208 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3lll h TYR 209 N 0.03 0.56 -0.18 2.13 3.20 0.22 -3.11 116.97 119.82 3lll h TYR 209 Ca 0.00 -0.41 -0.10 0.00 3.14 0.00 0.00 58.73 61.36 3lll h TYR 209 Cb 0.48 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3lll h TYR 209 CO 0.00 1.49 -0.33 0.93 -1.64 0.00 0.00 178.16 178.61 3lll h GLU 210 N 0.08 0.36 -0.01 1.82 4.39 -0.65 -3.08 114.58 117.49 3lll h GLU 210 Ca -0.28 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3lll h GLU 210 Cb 2.05 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.69 3lll h GLU 210 CO 0.17 0.66 0.00 -0.22 -1.16 0.00 0.00 179.01 178.46 3lll h LYS 211 N 0.31 0.01 -0.80 2.33 3.64 -1.60 -2.37 116.57 118.10 3lll h LYS 211 Ca 0.04 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3lll h LYS 211 Cb 0.74 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 3lll h LYS 211 CO 0.06 0.15 0.52 0.66 -2.27 0.00 0.00 179.45 178.57 3lll h SER 212 N -0.14 0.68 -0.42 4.20 4.64 -1.51 0.15 113.55 121.16 3lll h SER 212 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3lll h SER 212 Cb 0.15 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3lll h SER 212 CO -0.00 0.42 0.07 -0.07 -0.87 0.00 0.00 176.83 176.38 3lll h LEU 213 N 0.76 0.66 -0.42 5.97 3.38 -1.43 -1.07 115.31 123.17 3lll h LEU 213 Ca 0.36 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3lll h LEU 213 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3lll h LEU 213 CO -0.14 0.75 0.25 0.11 0.09 0.00 0.00 178.44 179.51 3lll h LYS 214 N 0.55 0.57 0.00 1.13 1.57 -0.69 0.28 116.57 119.98 3lll h LYS 214 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3lll h LYS 214 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3lll h LYS 214 CO 0.01 0.42 0.00 0.93 -0.57 0.00 0.00 179.45 180.24 3lll h GLU 215 N 0.56 0.00 0.03 3.15 5.08 -0.48 -2.21 114.58 120.70 3lll h GLU 215 Ca 0.15 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.15 3lll h GLU 215 Cb -0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3lll h GLU 215 CO -0.03 0.00 -2.06 -0.11 -1.00 0.00 0.00 179.01 175.81 3lll n LEU 216 N -2.67 2.30 0.26 1.33 0.00 -0.43 -3.77 117.00 114.02 3lll n LEU 216 Ca -0.01 0.23 0.17 0.00 0.00 0.00 0.00 56.01 56.40 3lll n LEU 216 Cb 0.12 -0.95 0.92 0.00 0.00 0.00 0.00 43.42 43.51 3lll n LEU 216 CO 0.17 0.63 1.02 0.44 0.00 0.00 0.00 177.39 179.66 3lll h ASP 217 N -0.55 0.00 0.90 1.96 3.32 -0.23 0.27 116.42 122.08 3lll h ASP 217 Ca -0.52 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.37 3lll h ASP 217 Cb 1.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 3lll h ASP 217 CO -0.18 0.00 -1.19 1.56 -1.72 0.00 0.00 179.24 177.71 3lll h GLN 218 N 0.00 0.00 0.00 3.56 4.20 -1.57 -3.29 115.11 118.01 3lll h GLN 218 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3lll h GLN 218 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3lll h GLN 218 CO 0.00 0.37 -0.38 1.15 -0.67 0.00 0.00 178.83 179.30 3lll h THR 219 N 0.00 0.12 0.24 -0.54 2.02 -0.65 -3.37 112.91 110.73 3lll h THR 219 Ca -0.12 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3lll h THR 219 Cb 1.55 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 3lll h THR 219 CO 0.05 0.07 -0.15 0.74 0.37 0.00 0.00 175.52 176.60 3lll h THR 220 N 0.00 0.67 -0.09 3.16 2.02 -1.07 -0.78 112.91 116.83 3lll h THR 220 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3lll h THR 220 Cb 1.07 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 3lll h THR 220 CO 0.01 0.00 -0.26 -0.65 0.37 0.00 0.00 175.52 174.99 3lll h PRO 221 N -0.38 -0.33 -0.47 6.66 0.11 -1.73 0.79 132.00 136.64 3lll h PRO 221 Ca -0.02 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3lll h PRO 221 Cb 0.32 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3lll h PRO 221 CO 0.02 -0.22 0.24 0.37 -0.21 0.00 0.00 178.00 178.20 3lll h GLN 222 N -0.34 0.65 0.00 1.05 5.75 -1.77 -1.69 115.11 118.76 3lll h GLN 222 Ca 0.09 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.39 3lll h GLN 222 Cb 0.47 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3lll h GLN 222 CO -0.29 0.49 -0.63 -0.92 -2.65 0.00 0.00 178.83 174.83 3lll h TYR 223 N 0.65 0.00 0.00 3.99 3.20 0.18 -2.00 116.97 122.99 3lll h TYR 223 Ca 0.17 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3lll h TYR 223 Cb 0.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3lll h TYR 223 CO 0.00 0.63 -0.34 0.52 -1.64 0.00 0.00 178.16 177.34 3lll h MET 224 N 0.00 0.00 0.00 1.82 2.86 0.14 -3.05 114.93 116.70 3lll h MET 224 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3lll h MET 224 Cb 1.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3lll h MET 224 CO 0.08 0.34 -0.28 1.49 1.06 0.00 0.00 176.91 179.60 3lll h GLU 225 N 0.00 0.00 -0.88 1.72 4.81 -1.17 -3.27 114.58 115.79 3lll h GLU 225 Ca -0.00 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3lll h GLU 225 Cb 0.83 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.12 3lll h GLU 225 CO 0.04 0.27 0.49 -0.91 -0.73 0.00 0.00 179.01 178.18 3lll h ASN 226 N -1.00 0.65 0.63 1.04 2.35 -1.48 0.12 115.58 117.90 3lll h ASN 226 Ca -0.04 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3lll h ASN 226 Cb 0.45 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3lll h ASN 226 CO -0.02 0.31 -0.30 0.24 -1.65 0.00 0.00 177.43 176.00 3lll h MET 227 N 0.74 -0.82 -0.20 0.81 2.86 -1.71 -1.92 114.93 114.69 3lll h MET 227 Ca 0.46 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 58.22 3lll h MET 227 Cb 0.58 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3lll h MET 227 CO -0.32 -0.55 0.16 1.49 1.06 0.00 0.00 176.91 178.75 3lll h GLU 228 N -0.99 0.00 -0.66 1.72 4.22 -1.58 0.14 114.58 117.44 3lll h GLU 228 Ca -0.09 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.28 3lll h GLU 228 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3lll h GLU 228 CO 0.14 0.00 0.12 0.37 -2.18 0.00 0.00 179.01 177.47 3lll h GLN 229 N 0.00 1.07 -0.02 1.92 -0.00 -0.63 0.36 115.11 117.81 3lll h GLN 229 Ca 0.09 -0.28 -0.20 0.00 -0.00 0.00 0.00 58.65 58.27 3lll h GLN 229 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 3lll h GLN 229 CO -0.00 0.98 -0.84 0.28 0.00 0.00 0.00 178.83 179.25 3lll h VAL 230 N 0.99 1.43 -0.23 2.39 2.07 -0.09 -3.22 116.25 119.59 3lll h VAL 230 Ca 0.20 -2.41 -0.09 0.00 0.82 0.00 0.00 66.70 65.23 3lll h VAL 230 Cb 0.41 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3lll h VAL 230 CO 0.01 0.71 -0.19 0.15 0.02 0.00 0.00 177.57 178.27 3lll h PHE 231 N 0.18 0.64 -0.80 1.57 3.04 -0.54 -3.18 116.94 117.85 3lll h PHE 231 Ca -0.05 -0.18 0.11 0.00 3.98 0.00 0.00 57.97 61.84 3lll h PHE 231 Cb 1.44 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 39.73 3lll h PHE 231 CO 0.04 0.85 0.42 1.49 -2.02 0.00 0.00 178.31 179.09 3lll h GLU 232 N 0.24 0.64 -0.79 1.11 4.22 -0.34 -0.84 114.58 118.82 3lll h GLU 232 Ca 0.04 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.50 3lll h GLU 232 Cb 0.73 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3lll h GLU 232 CO 0.05 0.42 0.48 0.37 -2.18 0.00 0.00 179.01 178.15 3lll h GLN 233 N 0.66 0.86 -0.09 1.92 5.75 -1.56 -1.83 115.11 120.82 3lll h GLN 233 Ca 0.41 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3lll h GLN 233 Cb 0.48 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 3lll h GLN 233 CO -0.30 0.57 0.06 0.00 -2.65 0.00 0.00 178.83 176.50 3lll h GLN 235 N 0.10 0.02 -0.36 0.00 1.08 -0.93 0.16 115.11 115.19 3lll h GLN 235 Ca 0.03 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 3lll h GLN 235 Cb 0.02 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 3lll h GLN 235 CO -0.01 0.01 0.03 0.37 -0.95 0.00 0.00 178.83 178.29 3lll h GLN 236 N 0.02 0.13 -0.20 1.46 4.15 -1.08 0.24 115.11 119.83 3lll h GLN 236 Ca 0.21 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3lll h GLN 236 Cb 0.31 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3lll h GLN 236 CO -0.42 0.09 0.13 0.35 -1.93 0.00 0.00 178.83 177.04 3lll h PHE 237 N 0.14 0.24 -0.31 3.99 3.04 -0.49 -1.63 116.94 121.92 3lll h PHE 237 Ca 0.17 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3lll h PHE 237 Cb 0.22 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3lll h PHE 237 CO -0.22 0.15 0.12 1.49 -2.02 0.00 0.00 178.31 177.83 3lll h GLU 238 N 0.27 0.43 -0.28 1.11 4.57 -0.21 -2.10 114.58 118.36 3lll h GLU 238 Ca 0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3lll h GLU 238 Cb -0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3lll h GLU 238 CO -0.02 0.36 0.14 1.49 -1.18 0.00 0.00 179.01 179.80 3lll h GLU 239 N 0.43 0.40 -0.21 1.92 4.81 0.16 0.07 114.58 122.15 3lll h GLU 239 Ca 0.11 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3lll h GLU 239 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3lll h GLU 239 CO -0.01 0.37 0.16 0.87 -0.73 0.00 0.00 179.01 179.67 3lll h LYS 240 N 0.33 0.00 0.00 1.92 1.57 -0.64 0.39 116.57 120.13 3lll h LYS 240 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3lll h LYS 240 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3lll h LYS 240 CO -0.01 0.00 -0.00 -0.09 -0.57 0.00 0.00 179.45 178.78 3lll h ARG 241 N 0.00 -0.00 0.21 3.15 2.43 -1.07 -2.78 114.38 116.31 3lll h ARG 241 Ca 0.10 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3lll h ARG 241 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3lll h ARG 241 CO -0.00 0.93 -0.30 -0.07 -1.51 0.00 0.00 179.97 179.01 3lll h LEU 242 N -1.00 -0.85 -2.28 3.80 3.38 -0.61 0.10 115.31 117.85 3lll h LEU 242 Ca -0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3lll h LEU 242 Cb 0.93 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3lll h LEU 242 CO 0.00 -0.41 0.14 0.03 0.09 0.00 0.00 178.44 178.28 3lll h ARG 243 N -0.58 0.00 -0.04 1.13 3.08 -1.08 -0.05 114.38 116.84 3lll h ARG 243 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 3lll h ARG 243 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3lll h ARG 243 CO -0.12 0.00 -0.88 0.35 -1.07 0.00 0.00 179.97 178.25 3lll h PHE 244 N 0.00 0.72 -0.50 3.04 3.04 -0.89 -2.76 116.94 119.60 3lll h PHE 244 Ca 0.06 -0.36 -0.09 0.00 3.98 0.00 0.00 57.97 61.56 3lll h PHE 244 Cb 0.33 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 3lll h PHE 244 CO 0.00 1.17 -0.02 0.74 -2.02 0.00 0.00 178.31 178.18 3lll h PHE 245 N 0.31 0.98 0.00 0.41 0.05 0.84 -1.00 116.94 118.53 3lll h PHE 245 Ca -0.07 -0.18 -0.03 0.00 3.82 0.00 0.00 57.97 61.51 3lll h PHE 245 Cb 1.50 -0.25 -0.00 0.00 2.00 0.00 0.00 35.95 39.19 3lll h PHE 245 CO 0.07 0.93 -0.15 -0.09 -0.18 0.00 0.00 178.31 178.88 3lll h ARG 246 N 0.76 0.00 0.18 1.51 2.43 -1.38 -0.40 114.38 117.48 3lll h ARG 246 Ca 0.14 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.99 3lll h ARG 246 Cb 0.55 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3lll h ARG 246 CO 0.03 0.15 -1.35 1.49 -1.51 0.00 0.00 179.97 178.78 3lll h GLU 247 N 0.00 0.60 -0.01 0.20 4.81 -1.13 -3.13 114.58 115.93 3lll h GLU 247 Ca -0.00 -0.88 -0.08 0.00 -0.13 0.00 0.00 59.36 58.27 3lll h GLU 247 Cb 0.35 0.31 0.01 0.00 0.63 0.00 0.00 28.75 30.05 3lll h GLU 247 CO 0.02 1.41 -0.30 0.28 -0.73 0.00 0.00 179.01 179.69 3lll h VAL 248 N 0.23 1.52 -0.55 0.32 2.07 -0.88 -3.05 116.25 115.91 3lll h VAL 248 Ca -0.22 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.43 3lll h VAL 248 Cb 2.03 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 34.49 3lll h VAL 248 CO 0.26 0.54 0.37 -0.07 0.02 0.00 0.00 177.57 178.69 3lll h LEU 249 N -0.43 0.37 0.20 2.57 3.38 -1.23 0.84 115.31 121.02 3lll h LEU 249 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3lll h LEU 249 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3lll h LEU 249 CO 0.06 0.23 -0.10 -0.07 0.09 0.00 0.00 178.44 178.65 3lll h LEU 250 N 0.41 -0.23 -0.57 1.67 3.38 -1.58 0.95 115.31 119.35 3lll h LEU 250 Ca 0.25 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3lll h LEU 250 Cb 0.44 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3lll h LEU 250 CO -0.07 -0.00 0.20 -0.33 0.09 0.00 0.00 178.44 178.33 3lll h GLU 251 N -0.46 0.36 -0.92 1.13 5.08 -1.18 0.12 114.58 118.71 3lll h GLU 251 Ca -0.03 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3lll h GLU 251 Cb 0.35 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3lll h GLU 251 CO 0.05 0.24 0.58 0.28 -1.00 0.00 0.00 179.01 179.15 3lll h VAL 252 N 0.37 1.03 -0.45 3.13 2.07 -0.72 0.20 116.25 121.89 3lll h VAL 252 Ca 0.28 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3lll h VAL 252 Cb 0.34 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3lll h VAL 252 CO -0.29 0.19 0.30 -0.61 0.02 0.00 0.00 177.57 177.17 3lll h GLN 253 N 1.03 0.58 0.00 1.57 -0.00 0.11 -1.22 115.11 117.18 3lll h GLN 253 Ca 0.41 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.92 3lll h GLN 253 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 3lll h GLN 253 CO -0.19 0.38 -0.66 -0.22 0.00 0.00 0.00 178.83 178.15 3lll h LYS 254 N 0.59 0.00 0.00 1.69 3.64 -0.15 -2.32 116.57 120.02 3lll h LYS 254 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3lll h LYS 254 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3lll h LYS 254 CO -0.04 0.39 -0.09 0.45 -2.27 0.00 0.00 179.45 177.89 3lll h HIS 255 N 0.00 0.00 0.00 1.91 3.86 -0.07 -3.26 115.15 117.60 3lll h HIS 255 Ca -0.03 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.83 3lll h HIS 255 Cb 1.37 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.77 3lll h HIS 255 CO 0.00 0.00 -2.17 1.28 0.86 0.00 0.00 177.93 177.90 3lll n LEU 256 N -2.73 0.45 -4.62 2.43 4.77 -0.55 -4.76 117.00 111.99 3lll n LEU 256 Ca 0.04 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 3lll n LEU 256 Cb 0.49 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 3lll n LEU 256 CO 0.33 0.49 1.44 -0.62 -1.33 0.00 0.00 177.39 177.70 3lll s ASP 257 N -5.75 6.16 0.00 -1.43 2.15 -0.87 -4.83 116.67 112.10 3lll s ASP 257 Ca -0.09 1.48 0.15 0.00 0.43 0.00 0.00 52.55 54.52 3lll s ASP 257 Cb 0.07 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 40.18 3lll s ASP 257 CO 0.82 -1.46 0.83 0.18 -0.17 0.00 0.00 175.17 175.37 3lll n LEU 258 N 9.25 1.65 0.08 -1.34 4.77 -1.26 -4.43 117.00 125.72 3lll n LEU 258 Ca 0.21 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 3lll n LEU 258 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3lll n LEU 258 CO 0.67 0.31 0.25 0.77 -1.33 0.00 0.00 177.39 178.06 3lll h SER 259 N 1.86 0.33 -0.38 -1.43 4.64 -1.99 -3.21 113.55 113.38 3lll h SER 259 Ca 0.00 -0.26 -0.22 0.00 -0.47 0.00 0.00 61.79 60.83 3lll h SER 259 Cb 0.52 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.39 3lll h SER 259 CO 0.00 1.05 0.29 -3.20 -0.87 0.00 0.00 176.83 174.10 3lll n ASN 260 N -3.70 4.68 -4.33 4.97 2.85 -1.26 -4.86 115.26 113.61 3lll n ASN 260 Ca -0.04 -2.76 -0.23 0.00 -0.11 0.00 0.00 54.58 51.43 3lll n ASN 260 Cb 0.80 -0.84 -0.12 0.00 1.24 0.00 0.00 39.78 40.86 3lll n ASN 260 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3lll s VAL 261 N -1.52 1.86 -0.17 3.44 1.01 -1.21 -5.05 120.40 118.76 3lll s VAL 261 Ca 0.23 -1.79 0.09 0.00 0.00 0.00 0.00 61.98 60.50 3lll s VAL 261 Cb 0.19 -1.78 -0.23 0.00 0.00 0.00 0.00 36.38 34.56 3lll s VAL 261 CO 0.02 -0.19 0.18 0.00 0.00 0.00 0.00 175.10 175.11 3lll n ALA 262 N 0.59 1.38 0.34 5.51 0.00 -1.26 -4.25 120.51 122.82 3lll n ALA 262 Ca -0.16 -1.03 0.13 0.00 0.00 0.00 0.00 53.44 52.38 3lll n ALA 262 Cb 0.56 -0.40 0.55 0.00 0.00 0.00 0.00 19.45 20.16 3lll n ALA 262 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3lll h SER 263 N 0.01 0.00 0.13 0.00 4.64 -1.97 -2.82 113.55 113.54 3lll h SER 263 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3lll h SER 263 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3lll h SER 263 CO 0.02 0.00 -0.06 0.22 -0.87 0.00 0.00 176.83 176.14 3lll h TYR 264 N 0.00 -0.16 -0.44 4.77 3.20 -1.87 -3.16 116.97 119.31 3lll h TYR 264 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 3lll h TYR 264 Cb 0.29 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3lll h TYR 264 CO 0.00 0.18 0.30 0.87 -1.64 0.00 0.00 178.16 177.87 3lll h LYS 265 N -0.98 0.24 -0.23 1.82 1.57 -1.75 -1.44 116.57 115.80 3lll h LYS 265 Ca -0.02 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3lll h LYS 265 Cb 0.41 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 3lll h LYS 265 CO 0.03 0.16 -0.20 1.15 -0.57 0.00 0.00 179.45 180.01 3lll h THR 266 N 0.24 0.46 -0.82 -0.16 2.02 -1.55 0.20 112.91 113.31 3lll h THR 266 Ca 0.20 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.57 3lll h THR 266 Cb 0.48 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3lll h THR 266 CO -0.04 0.00 0.55 0.40 0.37 0.00 0.00 175.52 176.81 3lll h ILE 267 N -0.21 0.70 -0.02 3.11 2.04 -1.22 -0.20 117.51 121.71 3lll h ILE 267 Ca 0.13 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3lll h ILE 267 Cb 0.41 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3lll h ILE 267 CO -0.35 0.05 -0.28 -1.22 0.00 0.00 0.00 178.15 176.35 3lll n TYR 268 N -4.45 0.00 0.04 1.37 4.01 -0.63 -2.75 117.16 114.74 3lll n TYR 268 Ca 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.90 3lll n TYR 268 Cb 0.68 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.63 3lll n TYR 268 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3lll h ARG 269 N 3.19 0.00 0.00 -0.72 3.08 0.11 -3.30 114.38 116.74 3lll h ARG 269 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3lll h ARG 269 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3lll h ARG 269 CO 0.00 0.34 -1.50 0.39 -1.07 0.00 0.00 179.97 178.13 3lll n GLU 270 N -2.94 0.63 -0.07 0.04 1.02 -0.63 -3.05 120.64 115.63 3lll n GLU 270 Ca -0.09 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.90 3lll n GLU 270 Cb 0.86 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 3lll n GLU 270 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3lll h LEU 271 N 0.00 0.47 -1.42 -4.62 6.46 -1.67 -1.85 115.31 112.68 3lll h LEU 271 Ca -0.02 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 3lll h LEU 271 Cb 1.05 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3lll h LEU 271 CO 0.00 0.82 0.17 -0.08 -0.62 0.00 0.00 178.44 178.74 3lll h GLU 272 N 0.13 0.57 0.50 1.25 4.81 -1.69 -2.32 114.58 117.83 3lll h GLU 272 Ca 0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3lll h GLU 272 Cb 0.67 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3lll h GLU 272 CO 0.04 0.46 -0.38 1.96 -0.73 0.00 0.00 179.01 180.35 3lll h GLN 273 N 0.57 -0.82 -0.68 1.92 1.08 -1.42 -2.00 115.11 113.76 3lll h GLN 273 Ca 0.14 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.45 3lll h GLN 273 Cb 0.10 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 3lll h GLN 273 CO -0.02 -0.55 0.39 0.77 -0.95 0.00 0.00 178.83 178.48 3lll h SER 274 N -0.85 0.60 -0.39 1.46 0.02 -1.15 -1.78 113.55 111.46 3lll h SER 274 Ca -0.07 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3lll h SER 274 Cb 0.71 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3lll h SER 274 CO 0.01 0.39 0.17 0.40 -1.14 0.00 0.00 176.83 176.67 3lll h ILE 275 N 0.73 1.18 0.00 3.27 2.04 -1.44 -2.32 117.51 120.97 3lll h ILE 275 Ca 0.30 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3lll h ILE 275 Cb 0.15 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3lll h ILE 275 CO -0.17 0.20 -0.10 0.11 0.00 0.00 0.00 178.15 178.19 3lll h LYS 276 N 0.48 0.00 0.00 2.37 1.57 -0.89 -2.01 116.57 118.09 3lll h LYS 276 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3lll h LYS 276 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3lll h LYS 276 CO -0.01 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 3lll n ALA 277 N -2.34 2.23 -2.58 3.86 0.00 -0.71 -4.60 120.51 116.38 3lll n ALA 277 Ca -0.02 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3lll n ALA 277 Cb 0.20 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3lll n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lll s ALA 278 N -2.00 2.75 -0.63 0.00 0.00 -0.76 -4.95 121.76 116.17 3lll s ALA 278 Ca 0.19 -2.03 -0.21 0.00 0.00 0.00 0.00 51.96 49.91 3lll s ALA 278 Cb 0.09 -4.42 0.09 0.00 0.00 0.00 0.00 23.12 18.87 3lll s ALA 278 CO 0.14 -3.49 0.84 0.34 0.00 0.00 0.00 175.76 173.60 3lll s ASP 279 N 4.56 6.18 0.28 0.00 3.68 -1.26 -4.91 116.67 125.21 3lll s ASP 279 Ca 0.42 -1.22 -0.03 0.00 2.13 0.00 0.00 52.55 53.85 3lll s ASP 279 Cb -0.03 -2.36 0.39 0.00 -1.45 0.00 0.00 42.92 39.47 3lll s ASP 279 CO -0.03 -1.28 1.95 0.00 0.13 0.00 0.00 175.17 175.94 3lll h ALA 280 N 9.38 1.36 -0.73 3.66 0.00 -1.98 -2.26 119.26 128.70 3lll h ALA 280 Ca -0.29 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3lll h ALA 280 Cb 1.08 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3lll h ALA 280 CO 1.14 0.58 0.44 0.28 0.00 0.00 0.00 179.25 181.69 3lll h VAL 281 N 1.17 1.04 -0.16 0.00 2.07 -2.00 -1.95 116.25 116.42 3lll h VAL 281 Ca 0.31 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3lll h VAL 281 Cb -0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 3lll h VAL 281 CO -0.07 0.15 -0.30 -0.08 0.02 0.00 0.00 177.57 177.29 3lll h GLU 282 N 0.83 0.32 0.45 1.57 4.81 -1.84 -1.54 114.58 119.17 3lll h GLU 282 Ca 0.31 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3lll h GLU 282 Cb 0.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3lll h GLU 282 CO -0.15 0.59 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.07 3lll h ASP 283 N 0.28 -0.51 -0.77 1.04 5.19 -1.02 -1.06 116.42 119.56 3lll h ASP 283 Ca 0.04 -0.09 0.14 0.00 -0.62 0.00 0.00 57.03 56.49 3lll h ASP 283 Cb 0.68 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.27 3lll h ASP 283 CO 0.05 -0.16 0.51 -0.07 -3.12 0.00 0.00 179.24 176.45 3lll h LEU 284 N -0.89 0.48 0.44 1.55 3.38 -1.37 -0.60 115.31 118.29 3lll h LEU 284 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3lll h LEU 284 Cb 0.57 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3lll h LEU 284 CO 0.10 0.26 -0.45 0.03 0.09 0.00 0.00 178.44 178.47 3lll h ARG 285 N 0.51 -0.87 -0.59 1.13 2.47 -1.05 0.21 114.38 116.19 3lll h ARG 285 Ca 0.38 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.26 3lll h ARG 285 Cb 0.74 0.20 -0.08 0.00 -1.65 0.00 0.00 29.97 29.18 3lll h ARG 285 CO -0.14 -0.58 0.16 2.35 0.56 0.00 0.00 179.97 182.32 3lll h TRP 286 N -0.90 0.26 0.00 3.04 7.01 0.04 -1.35 115.95 124.04 3lll h TRP 286 Ca -0.04 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 3lll h TRP 286 Cb 0.80 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 3lll h TRP 286 CO -0.24 0.01 -0.26 0.35 -2.79 0.00 0.00 178.44 175.51 3lll h PHE 287 N 0.30 0.00 0.00 2.65 3.04 -0.91 -2.26 116.94 119.76 3lll h PHE 287 Ca 0.30 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.16 3lll h PHE 287 Cb 0.43 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 3lll h PHE 287 CO -0.22 0.26 -0.46 -0.09 -2.02 0.00 0.00 178.31 175.77 3lll h ARG 288 N 0.00 0.00 0.00 1.11 2.43 0.21 -0.56 114.38 117.57 3lll h ARG 288 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3lll h ARG 288 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3lll h ARG 288 CO 0.03 0.46 -1.03 0.00 -1.51 0.00 0.00 179.97 177.93 3lll n ALA 289 N -2.32 4.08 0.16 2.80 0.00 -0.95 -0.07 120.51 124.21 3lll n ALA 289 Ca -0.00 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 52.95 3lll n ALA 289 Cb 0.57 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3lll n ALA 289 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3lll n ASN 290 N -1.68 1.07 0.00 0.00 5.03 -0.89 -4.25 115.26 114.54 3lll n ASN 290 Ca 0.03 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 55.01 3lll n ASN 290 Cb 0.38 1.05 0.00 0.00 -1.02 0.00 0.00 39.78 40.19 3lll n ASN 290 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3lll n HIS 291 N -1.23 0.00 -2.65 3.10 8.25 -0.46 -5.02 115.22 117.21 3lll n HIS 291 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3lll n HIS 291 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3lll n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lll n GLY 292 N 0.00 1.76 0.00 -1.41 0.00 -0.34 -4.95 105.19 100.25 3lll n GLY 292 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3lll n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lll n PRO 293 N -0.76 0.00 0.00 1.61 -0.02 -1.22 -1.99 135.00 132.62 3lll n PRO 293 Ca 0.00 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 3lll n PRO 293 Cb 0.00 -1.52 0.26 0.00 -0.02 0.00 0.00 33.50 32.22 3lll n PRO 293 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lll n GLY 294 N -1.44 -0.91 3.83 -1.23 0.00 0.90 -4.81 105.19 101.53 3lll n GLY 294 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3lll n GLY 294 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lll s MET 295 N -2.00 4.08 0.78 1.61 -1.94 -0.84 -4.67 119.30 116.33 3lll s MET 295 Ca 0.13 0.61 -0.14 0.00 -1.71 0.00 0.00 55.69 54.58 3lll s MET 295 Cb 0.06 -3.12 0.07 0.00 2.01 0.00 0.00 34.83 33.85 3lll s MET 295 CO 0.10 0.58 1.19 0.00 -0.01 0.00 0.00 175.02 176.89 3lll s ALA 296 N -1.24 1.96 -0.16 3.03 0.00 -1.26 -5.04 121.76 119.04 3lll s ALA 296 Ca 0.32 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 3lll s ALA 296 Cb -0.17 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.56 3lll s ALA 296 CO 0.18 -2.11 0.34 1.41 0.00 0.00 0.00 175.76 175.58 3lll s MET 297 N -4.13 0.24 -1.18 0.00 0.00 -1.26 -5.08 119.30 107.90 3lll s MET 297 Ca 0.72 0.86 -0.21 0.00 0.00 0.00 0.00 55.69 57.06 3lll s MET 297 Cb -0.27 0.12 0.00 0.00 0.00 0.00 0.00 34.83 34.68 3lll s MET 297 CO 0.49 -0.26 1.78 -0.80 0.00 0.00 0.00 175.02 176.23 3lll s ASN 298 N 2.38 6.03 0.20 1.11 0.01 -1.26 -4.96 114.94 118.45 3lll s ASN 298 Ca -0.01 -1.86 -0.32 0.00 -0.71 0.00 0.00 52.86 49.96 3lll s ASN 298 Cb -0.12 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.84 3lll s ASN 298 CO -0.11 -2.00 1.72 0.79 -1.51 0.00 0.00 177.10 176.00 3lll n TRP 299 N 10.97 2.72 -1.65 2.20 7.02 -1.26 -4.83 117.44 132.61 3lll n TRP 299 Ca 0.44 0.05 -0.60 0.00 -1.02 0.00 0.00 57.50 56.37 3lll n TRP 299 Cb 0.47 -2.67 -0.08 0.00 -2.42 0.00 0.00 31.31 26.61 3lll n TRP 299 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 3lll n PRO 300 N 3.97 0.57 -4.25 -0.99 -0.02 -1.26 -4.97 135.00 128.04 3lll n PRO 300 Ca 0.16 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 3lll n PRO 300 Cb 0.34 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3lll n PRO 300 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3lll s GLN 301 N 1.99 1.07 0.22 -0.52 0.74 -1.26 -5.11 119.66 116.78 3lll s GLN 301 Ca 0.96 -1.44 -0.32 0.00 0.05 0.00 0.00 55.36 54.61 3lll s GLN 301 Cb -1.21 -0.67 -0.13 0.00 1.10 0.00 0.00 33.01 32.09 3lll s GLN 301 CO 0.65 0.09 1.47 0.34 -0.55 0.00 0.00 175.29 177.29 3lll n PHE 302 N -0.14 2.25 -0.07 1.67 7.35 -1.26 -5.30 117.46 121.96 3lll n PHE 302 Ca -0.11 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3lll n PHE 302 Cb 0.60 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.94 3lll n PHE 302 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39