#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2d n ALA 6 N 0.00 -3.24 -3.70 7.54 0.00 -1.26 -4.90 120.51 114.95 1n2d n ALA 6 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 1n2d n ALA 6 Cb 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 19.45 17.47 1n2d n ALA 6 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n2d s ASN 7 N 0.25 0.95 0.18 0.00 3.84 -1.26 -5.03 114.94 113.87 1n2d s ASN 7 Ca 0.91 0.06 -0.10 0.00 0.21 0.00 0.00 52.86 53.94 1n2d s ASN 7 Cb -1.25 -0.15 0.08 0.00 -0.55 0.00 0.00 41.25 39.38 1n2d s ASN 7 CO 0.58 -0.22 1.68 0.50 -2.79 0.00 0.00 177.10 176.85 1n2d h LYS 8 N 8.18 1.05 -0.91 0.43 3.64 -1.99 -2.08 116.57 124.88 1n2d h LYS 8 Ca -0.20 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1n2d h LYS 8 Cb 1.12 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1n2d h LYS 8 CO 0.23 0.96 0.51 -0.44 -2.27 0.00 0.00 179.45 178.45 1n2d h ASP 9 N 0.97 1.13 -0.34 4.20 3.32 -1.99 0.98 116.42 124.69 1n2d h ASP 9 Ca 0.20 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1n2d h ASP 9 Cb 0.41 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1n2d h ASP 9 CO 0.01 0.90 -0.35 0.40 -1.72 0.00 0.00 179.24 178.48 1n2d h ILE 10 N 1.28 1.28 -0.40 0.35 2.04 -1.97 -1.95 117.51 118.13 1n2d h ILE 10 Ca 0.32 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.71 1n2d h ILE 10 Cb 0.01 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1n2d h ILE 10 CO -0.05 0.51 0.15 0.15 0.00 0.00 0.00 178.15 178.91 1n2d h PHE 11 N 0.73 0.28 -0.72 1.37 3.04 -0.67 -1.69 116.94 119.28 1n2d h PHE 11 Ca 0.07 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.13 1n2d h PHE 11 Cb 0.92 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 1n2d h PHE 11 CO 0.06 0.12 0.36 1.15 -2.02 0.00 0.00 178.31 177.97 1n2d h THR 12 N 0.32 0.85 -0.85 4.41 2.02 -0.46 0.17 112.91 119.37 1n2d h THR 12 Ca 0.18 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1n2d h THR 12 Cb 0.15 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1n2d h THR 12 CO -0.18 0.11 0.53 -0.07 0.37 0.00 0.00 175.52 176.29 1n2d h LEU 13 N 0.61 1.00 -0.52 2.58 3.38 -0.57 -2.33 115.31 119.45 1n2d h LEU 13 Ca 0.35 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 1n2d h LEU 13 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1n2d h LEU 13 CO -0.27 0.75 -0.68 -0.26 0.09 0.00 0.00 178.44 178.07 1n2d h PHE 14 N 1.16 0.39 -0.51 1.13 -1.00 -0.29 -3.34 116.94 114.48 1n2d h PHE 14 Ca 0.31 -0.16 -0.72 0.00 2.81 0.00 0.00 57.97 60.21 1n2d h PHE 14 Cb -0.09 -0.06 -0.07 0.00 3.61 0.00 0.00 35.95 39.34 1n2d h PHE 14 CO 0.00 0.88 2.88 -3.47 -1.61 0.00 0.00 178.31 176.99 1n2d n ASP 15 N -3.83 5.56 0.00 2.17 2.03 0.43 -4.75 116.55 118.15 1n2d n ASP 15 Ca -0.03 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1n2d n ASP 15 Cb 0.67 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1n2d n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1n2d n LYS 16 N 4.53 0.00 0.00 -0.67 5.02 -1.26 -0.82 118.16 124.96 1n2d n LYS 16 Ca 0.55 0.40 0.07 0.00 -2.02 0.00 0.00 58.31 57.31 1n2d n LYS 16 Cb 0.34 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1n2d n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n2d n LYS 17 N -1.40 2.05 -1.64 1.97 4.01 -1.26 -4.97 118.16 116.92 1n2d n LYS 17 Ca 0.00 -0.40 -0.18 0.00 -0.51 0.00 0.00 58.31 57.22 1n2d n LYS 17 Cb 0.01 -1.20 -0.07 0.00 -0.51 0.00 0.00 35.03 33.26 1n2d n LYS 17 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n2d n GLY 18 N 1.21 1.50 0.02 0.72 0.00 -0.00 -4.84 105.19 103.79 1n2d n GLY 18 Ca 0.04 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1n2d n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n2d n GLN 19 N -2.51 1.03 -1.20 1.61 6.02 -1.26 -4.90 117.38 116.17 1n2d n GLN 19 Ca -0.19 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.69 1n2d n GLN 19 Cb 0.61 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.40 1n2d n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n2d n GLY 20 N 0.95 0.90 3.58 1.08 0.00 -1.26 -4.99 105.19 105.44 1n2d n GLY 20 Ca 0.21 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1n2d n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2d s ALA 21 N -2.19 -1.82 0.16 4.61 0.00 -1.26 -4.36 121.76 116.89 1n2d s ALA 21 Ca 0.00 1.64 0.11 0.00 0.00 0.00 0.00 51.96 53.71 1n2d s ALA 21 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1n2d s ALA 21 CO 0.00 -0.34 -0.25 0.96 0.00 0.00 0.00 175.76 176.14 1n2d s ILE 22 N -0.52 2.25 0.24 0.00 -4.36 -0.45 -4.86 121.20 113.50 1n2d s ILE 22 Ca -0.05 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.16 1n2d s ILE 22 Cb -0.02 -2.02 -0.15 0.00 1.25 0.00 0.00 42.46 41.52 1n2d s ILE 22 CO 0.04 -0.04 1.08 0.00 0.24 0.00 0.00 174.94 176.26 1n2d n ALA 23 N 0.58 -0.42 0.24 2.27 0.00 -1.26 -1.01 120.51 120.90 1n2d n ALA 23 Ca -0.15 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.78 1n2d n ALA 23 Cb 0.55 -2.03 0.58 0.00 0.00 0.00 0.00 19.45 18.55 1n2d n ALA 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1n2d h LYS 24 N 2.63 0.02 0.00 0.00 3.64 -1.76 -0.39 116.57 120.72 1n2d h LYS 24 Ca -0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1n2d h LYS 24 Cb 1.34 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1n2d h LYS 24 CO 0.65 0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 1n2d n ASP 25 N -4.47 0.52 -1.01 4.20 8.00 -1.26 -2.08 116.55 120.46 1n2d n ASP 25 Ca -0.03 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1n2d n ASP 25 Cb 0.14 -0.73 0.27 0.00 -0.02 0.00 0.00 41.12 40.77 1n2d n ASP 25 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1n2d n SER 26 N -2.07 2.97 -0.17 -2.24 3.41 -0.16 -4.39 113.62 110.97 1n2d n SER 26 Ca 0.03 -1.94 -0.07 0.00 -0.26 0.00 0.00 58.87 56.62 1n2d n SER 26 Cb 0.24 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1n2d n SER 26 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1n2d h LEU 27 N 3.58 0.59 -0.37 1.04 5.85 -1.48 -2.27 115.31 122.25 1n2d h LEU 27 Ca 0.00 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1n2d h LEU 27 Cb 0.80 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1n2d h LEU 27 CO 0.00 0.45 0.19 1.23 -0.34 0.00 0.00 178.44 179.97 1n2d h GLY 28 N 0.67 0.50 2.00 3.75 0.00 -1.82 -1.20 103.07 106.97 1n2d h GLY 28 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1n2d h GLY 28 CO -0.04 0.10 -0.32 -0.55 0.00 0.00 0.00 176.54 175.74 1n2d h ASP 29 N 0.39 0.00 -0.27 0.19 3.45 -1.83 -1.45 116.42 116.90 1n2d h ASP 29 Ca 0.15 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 1n2d h ASP 29 Cb 0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1n2d h ASP 29 CO -0.10 0.32 -0.25 0.22 -1.57 0.00 0.00 179.24 177.85 1n2d h TYR 30 N 0.00 0.77 -0.30 4.55 3.20 -0.93 0.36 116.97 124.61 1n2d h TYR 30 Ca -0.00 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 61.61 1n2d h TYR 30 Cb 0.66 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1n2d h TYR 30 CO 0.00 0.95 0.06 -0.07 -1.64 0.00 0.00 178.16 177.46 1n2d h LEU 31 N 0.37 0.40 -0.08 2.82 3.38 -0.83 -1.14 115.31 120.23 1n2d h LEU 31 Ca 0.04 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1n2d h LEU 31 Cb 0.81 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1n2d h LEU 31 CO 0.06 0.42 -0.77 0.03 0.09 0.00 0.00 178.44 178.27 1n2d h ARG 32 N 0.43 0.66 -0.97 1.13 3.08 -1.01 -0.66 114.38 117.04 1n2d h ARG 32 Ca 0.10 -0.61 0.05 0.00 0.07 0.00 0.00 59.98 59.60 1n2d h ARG 32 Cb 0.19 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1n2d h ARG 32 CO -0.00 1.21 0.63 0.00 -1.07 0.00 0.00 179.97 180.74 1n2d h ALA 33 N 0.45 1.32 -0.00 0.04 0.00 0.45 -1.35 119.26 120.17 1n2d h ALA 33 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n2d h ALA 33 Cb 1.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n2d h ALA 33 CO 0.16 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.29 1n2d n ILE 34 N -4.51 0.00 0.00 0.00 -5.35 -0.50 -4.91 119.36 104.10 1n2d n ILE 34 Ca 0.14 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1n2d n ILE 34 Cb 0.15 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1n2d n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n2d n GLY 35 N 1.02 1.73 3.92 3.28 0.00 -0.51 -4.85 105.19 109.77 1n2d n GLY 35 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1n2d n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n2d s TYR 36 N -1.91 3.14 -0.44 1.61 4.12 -0.26 -4.89 117.35 118.72 1n2d s TYR 36 Ca 0.00 0.63 0.10 0.00 0.02 0.00 0.00 57.07 57.82 1n2d s TYR 36 Cb 0.00 -2.96 0.36 0.00 -1.52 0.00 0.00 41.96 37.84 1n2d s TYR 36 CO 0.00 -1.10 0.84 0.09 0.02 0.00 0.00 175.55 175.40 1n2d n ASN 37 N -2.78 2.32 -4.79 2.29 3.02 -1.26 -3.99 115.26 110.08 1n2d n ASN 37 Ca 0.06 -3.25 -0.34 0.00 -0.03 0.00 0.00 54.58 51.02 1n2d n ASN 37 Cb 0.59 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1n2d n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n2d s PRO 38 N -2.90 3.33 0.66 3.52 0.04 -1.26 -4.84 135.00 133.54 1n2d s PRO 38 Ca 0.42 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1n2d s PRO 38 Cb 0.34 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 1n2d s PRO 38 CO -0.10 -0.83 1.05 0.95 0.04 0.00 0.00 177.00 178.12 1n2d s THR 39 N -2.13 4.00 0.42 1.26 -4.23 -1.26 -4.94 115.64 108.76 1n2d s THR 39 Ca 0.68 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 61.90 1n2d s THR 39 Cb -0.19 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.19 1n2d s THR 39 CO 0.31 -0.82 1.96 0.78 -0.54 0.00 0.00 174.62 176.30 1n2d h ASN 40 N -0.48 0.13 -0.42 3.99 2.35 -1.99 -2.69 115.58 116.48 1n2d h ASN 40 Ca -0.45 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.24 1n2d h ASN 40 Cb 1.23 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1n2d h ASN 40 CO 0.63 0.29 0.10 -0.61 -1.65 0.00 0.00 177.43 176.19 1n2d h GLN 41 N 0.13 0.67 -0.81 0.81 5.75 -2.00 -2.19 115.11 117.48 1n2d h GLN 41 Ca 0.03 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1n2d h GLN 41 Cb 0.33 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1n2d h GLN 41 CO 0.02 0.68 0.34 1.25 -2.65 0.00 0.00 178.83 178.47 1n2d h LEU 42 N 0.54 1.10 -0.64 -2.39 5.85 -1.86 -0.36 115.31 117.54 1n2d h LEU 42 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1n2d h LEU 42 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1n2d h LEU 42 CO 0.00 0.96 0.38 0.58 -0.34 0.00 0.00 178.44 180.02 1n2d h VAL 43 N 1.17 1.19 -0.53 1.05 2.07 -1.31 -0.07 116.25 119.81 1n2d h VAL 43 Ca 0.27 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1n2d h VAL 43 Cb 0.19 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1n2d h VAL 43 CO -0.03 0.19 0.09 1.56 0.02 0.00 0.00 177.57 179.41 1n2d h GLN 44 N 0.86 0.88 -0.64 1.57 1.08 -0.89 -2.28 115.11 115.69 1n2d h GLN 44 Ca 0.23 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1n2d h GLN 44 Cb -0.02 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1n2d h GLN 44 CO -0.04 0.85 0.24 -0.44 -0.95 0.00 0.00 178.83 178.49 1n2d h ASP 45 N 0.76 0.90 -0.17 1.46 3.32 -0.73 0.14 116.42 122.12 1n2d h ASP 45 Ca 0.16 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1n2d h ASP 45 Cb 0.40 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1n2d h ASP 45 CO 0.01 0.84 -0.01 0.40 -1.72 0.00 0.00 179.24 178.76 1n2d h ILE 46 N 0.91 0.87 -0.64 0.35 2.04 -0.89 0.29 117.51 120.45 1n2d h ILE 46 Ca 0.21 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 1n2d h ILE 46 Cb 0.23 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1n2d h ILE 46 CO -0.01 0.01 0.07 0.40 0.00 0.00 0.00 178.15 178.62 1n2d h ILE 47 N 0.04 1.26 0.00 -0.67 2.04 -1.15 -3.09 117.51 115.94 1n2d h ILE 47 Ca 0.08 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 1n2d h ILE 47 Cb 0.10 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1n2d h ILE 47 CO -0.14 0.39 -0.44 0.78 0.00 0.00 0.00 178.15 178.75 1n2d h ASN 48 N 0.99 0.00 0.52 1.72 -0.26 -0.23 -3.07 115.58 115.24 1n2d h ASN 48 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1n2d h ASN 48 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1n2d h ASN 48 CO 0.02 0.44 0.00 0.00 -1.06 0.00 0.00 177.43 176.82 1n2d n ALA 49 N -2.30 2.06 -3.77 -0.83 0.00 0.96 -4.33 120.51 112.31 1n2d n ALA 49 Ca -0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1n2d n ALA 49 Cb 0.56 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 1n2d n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n2d s ASP 50 N -2.73 5.22 0.41 0.00 -1.08 -1.16 -4.96 116.67 112.38 1n2d s ASP 50 Ca 0.17 -2.30 0.17 0.00 -0.52 0.00 0.00 52.55 50.06 1n2d s ASP 50 Cb 0.14 -1.83 1.06 0.00 -1.46 0.00 0.00 42.92 40.83 1n2d s ASP 50 CO 0.35 -0.48 1.85 0.28 0.52 0.00 0.00 175.17 177.68 1n2d h SER 51 N 7.71 0.44 -0.51 -0.34 0.02 -1.84 -1.77 113.55 117.26 1n2d h SER 51 Ca -0.09 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1n2d h SER 51 Cb 1.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 1n2d h SER 51 CO 0.70 0.17 0.35 -1.28 -1.14 0.00 0.00 176.83 175.63 1n2d h SER 52 N 0.43 0.23 0.62 3.07 0.87 -1.93 -0.68 113.55 116.17 1n2d h SER 52 Ca 0.48 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1n2d h SER 52 Cb 1.17 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1n2d h SER 52 CO -0.20 0.14 -0.10 0.18 -0.53 0.00 0.00 176.83 176.33 1n2d n LEU 53 N -4.45 0.21 -0.23 2.23 4.77 -0.66 -4.42 117.00 114.44 1n2d n LEU 53 Ca 0.08 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1n2d n LEU 53 Cb 0.40 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1n2d n LEU 53 CO 0.35 0.04 0.32 -1.14 -1.33 0.00 0.00 177.39 175.63 1n2d n ARG 54 N -1.27 -0.16 -0.36 3.23 0.63 -0.26 0.45 116.66 118.91 1n2d n ARG 54 Ca 0.11 0.88 0.08 0.00 -0.92 0.00 0.00 57.85 58.00 1n2d n ARG 54 Cb 0.29 -1.31 0.24 0.00 0.45 0.00 0.00 32.46 32.13 1n2d n ARG 54 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1n2d n ASP 55 N -4.82 3.67 -4.73 6.15 8.00 -1.26 -4.99 116.55 118.57 1n2d n ASP 55 Ca 0.05 -2.42 -0.42 0.00 0.71 0.00 0.00 54.79 52.71 1n2d n ASP 55 Cb 0.21 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1n2d n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n2d s ALA 56 N -1.77 3.53 -0.13 2.24 0.00 0.17 -4.92 121.76 120.88 1n2d s ALA 56 Ca 0.36 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.54 1n2d s ALA 56 Cb 0.24 -3.49 -0.24 0.00 0.00 0.00 0.00 23.12 19.63 1n2d s ALA 56 CO 0.16 -0.54 0.34 0.45 0.00 0.00 0.00 175.76 176.17 1n2d n SER 57 N 3.06 0.56 -4.27 0.00 2.88 -1.26 -4.90 113.62 109.69 1n2d n SER 57 Ca 0.08 0.19 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 1n2d n SER 57 Cb 0.43 0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 64.18 1n2d n SER 57 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1n2d s SER 58 N -5.86 1.00 -0.00 -3.46 0.01 -1.26 -2.29 113.70 101.82 1n2d s SER 58 Ca -0.09 -1.33 0.04 0.00 1.31 0.00 0.00 55.95 55.88 1n2d s SER 58 Cb 0.07 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 1n2d s SER 58 CO 0.82 -0.71 -0.13 -0.76 0.41 0.00 0.00 173.24 172.87 1n2d s LEU 59 N -3.25 2.05 0.51 2.44 1.43 -0.18 -4.77 118.68 116.91 1n2d s LEU 59 Ca 0.34 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1n2d s LEU 59 Cb 0.07 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1n2d s LEU 59 CO 0.11 0.14 0.73 0.42 0.23 0.00 0.00 176.35 177.97 1n2d s THR 60 N -0.38 3.05 0.46 5.49 -4.23 -1.26 -1.34 115.64 117.43 1n2d s THR 60 Ca 0.04 -0.66 0.13 0.00 -1.18 0.00 0.00 61.69 60.02 1n2d s THR 60 Cb -0.05 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 70.88 1n2d s THR 60 CO -0.00 -0.09 2.05 0.25 -0.54 0.00 0.00 174.62 176.29 1n2d h LEU 61 N 0.22 0.12 -0.15 4.79 5.85 -2.00 -1.09 115.31 123.05 1n2d h LEU 61 Ca -0.43 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1n2d h LEU 61 Cb 1.28 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1n2d h LEU 61 CO 0.53 0.18 -0.02 0.44 -0.34 0.00 0.00 178.44 179.23 1n2d h ASP 62 N 0.14 0.27 -0.02 1.25 3.45 -1.94 -0.05 116.42 119.52 1n2d h ASP 62 Ca 0.03 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 1n2d h ASP 62 Cb 0.15 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1n2d h ASP 62 CO 0.01 0.55 0.01 1.56 -1.57 0.00 0.00 179.24 179.79 1n2d h GLN 63 N -0.01 0.03 -0.47 3.56 4.20 -1.85 -1.47 115.11 119.11 1n2d h GLN 63 Ca 0.04 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1n2d h GLN 63 Cb 0.42 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1n2d h GLN 63 CO 0.01 0.19 0.19 0.82 -0.67 0.00 0.00 178.83 179.37 1n2d h ILE 64 N -0.13 0.88 -0.98 2.54 2.04 -1.22 -1.40 117.51 119.24 1n2d h ILE 64 Ca 0.01 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1n2d h ILE 64 Cb 0.17 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1n2d h ILE 64 CO -0.00 0.07 0.63 0.74 0.00 0.00 0.00 178.15 179.59 1n2d h THR 65 N 0.38 1.06 -0.59 -0.27 2.02 -0.80 -1.14 112.91 113.58 1n2d h THR 65 Ca 0.22 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1n2d h THR 65 Cb 0.19 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1n2d h THR 65 CO -0.20 0.20 0.08 1.23 0.37 0.00 0.00 175.52 177.20 1n2d h GLY 66 N 1.11 1.07 1.57 2.16 0.00 -0.24 -2.26 103.07 106.48 1n2d h GLY 66 Ca 0.43 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1n2d h GLY 66 CO -0.18 0.67 -0.09 1.41 0.00 0.00 0.00 176.54 178.35 1n2d h LEU 67 N 0.89 0.50 -0.59 3.11 3.38 -0.58 -1.45 115.31 120.57 1n2d h LEU 67 Ca 0.18 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1n2d h LEU 67 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1n2d h LEU 67 CO 0.02 0.64 -0.21 0.40 0.09 0.00 0.00 178.44 179.38 1n2d h ILE 68 N 0.48 1.27 -0.05 1.22 2.04 -1.00 -1.96 117.51 119.52 1n2d h ILE 68 Ca 0.09 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1n2d h ILE 68 Cb 0.46 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1n2d h ILE 68 CO 0.03 0.46 -0.01 -0.33 0.00 0.00 0.00 178.15 178.29 1n2d h GLU 69 N 0.79 0.09 -0.96 2.37 5.08 -0.99 0.23 114.58 121.19 1n2d h GLU 69 Ca 0.11 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1n2d h GLU 69 Cb 0.75 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1n2d h GLU 69 CO 0.06 0.45 0.63 0.28 -1.00 0.00 0.00 179.01 179.43 1n2d h VAL 70 N -0.27 1.20 -0.48 3.13 2.07 -1.29 -2.65 116.25 117.97 1n2d h VAL 70 Ca 0.01 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 1n2d h VAL 70 Cb 0.41 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 29.94 1n2d h VAL 70 CO 0.01 0.23 0.10 0.59 0.02 0.00 0.00 177.57 178.51 1n2d n ASN 71 N -4.42 3.95 -0.13 0.57 3.02 -0.74 -4.71 115.26 112.81 1n2d n ASN 71 Ca 0.12 -3.28 -0.04 0.00 -0.03 0.00 0.00 54.58 51.35 1n2d n ASN 71 Cb 0.06 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 1n2d n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1n2d h GLU 72 N 1.96 0.02 -0.03 3.52 4.57 -0.15 -1.90 114.58 122.57 1n2d h GLU 72 Ca 0.16 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1n2d h GLU 72 Cb 1.86 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 30.39 1n2d h GLU 72 CO 0.47 0.02 -0.39 -0.22 -1.18 0.00 0.00 179.01 177.71 1n2d h LYS 73 N 0.02 -0.51 -0.67 1.92 3.64 -1.84 0.66 116.57 119.80 1n2d h LYS 73 Ca 0.20 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1n2d h LYS 73 Cb 0.31 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1n2d h LYS 73 CO -0.41 -0.34 0.14 0.93 -2.27 0.00 0.00 179.45 177.50 1n2d h GLU 74 N -0.53 1.08 -0.82 1.90 5.08 -1.90 -2.43 114.58 116.97 1n2d h GLU 74 Ca 0.06 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1n2d h GLU 74 Cb 0.62 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1n2d h GLU 74 CO -0.32 0.98 0.42 -0.07 -1.00 0.00 0.00 179.01 179.01 1n2d h LEU 75 N 1.01 1.05 -1.08 1.33 3.38 -1.07 -2.45 115.31 117.48 1n2d h LEU 75 Ca 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n2d h LEU 75 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1n2d h LEU 75 CO 0.01 0.87 0.16 0.44 0.09 0.00 0.00 178.44 180.00 1n2d h ASP 76 N 1.15 0.75 -0.08 -0.43 3.32 -0.65 -2.16 116.42 118.32 1n2d h ASP 76 Ca 0.28 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1n2d h ASP 76 Cb 0.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1n2d h ASP 76 CO -0.04 0.72 0.04 0.00 -1.72 0.00 0.00 179.24 178.24 1n2d h ALA 77 N 1.38 1.86 0.00 3.45 0.00 -0.95 -1.13 119.26 123.88 1n2d h ALA 77 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n2d h ALA 77 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n2d h ALA 77 CO -0.01 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1n2d n THR 78 N -4.48 0.31 0.13 0.00 -2.24 -0.81 -2.43 114.28 104.76 1n2d n THR 78 Ca -0.01 0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 1n2d n THR 78 Cb 0.11 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1n2d n THR 78 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n2d n THR 79 N -1.13 0.00 0.01 4.28 -2.24 -0.43 -4.09 114.28 110.67 1n2d n THR 79 Ca 0.08 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1n2d n THR 79 Cb 0.07 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 1n2d n THR 79 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n2d h LYS 80 N 0.00 0.04 -6.28 -0.78 1.79 -1.44 -3.45 116.57 106.46 1n2d h LYS 80 Ca 0.00 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.79 1n2d h LYS 80 Cb 0.27 -0.01 0.07 0.00 -1.58 0.00 0.00 32.23 30.98 1n2d h LYS 80 CO 0.00 0.23 0.23 0.00 -1.08 0.00 0.00 179.45 178.84 1n2d n ALA 81 N -2.21 -1.18 -2.25 3.86 0.00 -1.26 -5.00 120.51 112.48 1n2d n ALA 81 Ca -0.07 0.48 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 1n2d n ALA 81 Cb 0.13 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 1n2d n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n2d s LYS 82 N -0.26 2.43 0.27 0.00 1.02 -1.26 -5.00 119.74 116.93 1n2d s LYS 82 Ca 0.76 -1.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1n2d s LYS 82 Cb -0.91 -2.33 0.50 0.00 -0.52 0.00 0.00 37.83 34.57 1n2d s LYS 82 CO 0.52 -0.39 1.82 1.15 -0.92 0.00 0.00 175.35 177.54 1n2d h THR 83 N 0.86 0.91 0.00 2.17 2.02 -1.98 -0.95 112.91 115.93 1n2d h THR 83 Ca -0.39 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1n2d h THR 83 Cb 1.28 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1n2d h THR 83 CO 0.55 0.17 -0.07 1.05 0.37 0.00 0.00 175.52 177.59 1n2d h GLU 84 N 0.92 0.00 -0.40 6.66 9.09 -2.00 -2.45 114.58 126.40 1n2d h GLU 84 Ca 0.46 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.72 1n2d h GLU 84 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.54 1n2d h GLU 84 CO -0.26 0.07 -0.35 -0.44 0.05 0.00 0.00 179.01 178.08 1n2d h ASP 85 N 0.00 0.99 -0.42 3.06 3.32 -1.56 -1.51 116.42 120.30 1n2d h ASP 85 Ca -0.00 -0.43 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 1n2d h ASP 85 Cb 0.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1n2d h ASP 85 CO 0.01 1.23 -0.32 -0.26 -1.72 0.00 0.00 179.24 178.18 1n2d h PHE 86 N 0.77 1.13 -0.58 4.55 -1.00 -1.45 -1.48 116.94 118.89 1n2d h PHE 86 Ca 0.07 -0.32 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 1n2d h PHE 86 Cb 0.94 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.22 1n2d h PHE 86 CO 0.06 1.15 0.36 0.28 -1.61 0.00 0.00 178.31 178.54 1n2d h VAL 87 N 0.79 1.17 -0.18 -0.55 2.07 -1.41 0.12 116.25 118.26 1n2d h VAL 87 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1n2d h VAL 87 Cb 0.91 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1n2d h VAL 87 CO 0.09 0.17 0.09 0.50 0.02 0.00 0.00 177.57 178.44 1n2d h LYS 88 N 0.78 0.26 0.00 1.57 3.11 -1.13 -2.58 116.57 118.58 1n2d h LYS 88 Ca 0.21 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.96 1n2d h LYS 88 Cb -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 1n2d h LYS 88 CO -0.04 0.27 -0.23 0.00 -2.81 0.00 0.00 179.45 176.64 1n2d h ALA 89 N 0.97 1.37 0.00 5.00 0.00 -0.93 -2.56 119.26 123.10 1n2d h ALA 89 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n2d h ALA 89 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n2d h ALA 89 CO -0.01 0.29 0.00 0.35 0.00 0.00 0.00 179.25 179.88 1n2d h PHE 90 N 0.00 0.00 -0.01 0.00 3.57 -0.35 -3.07 116.94 117.08 1n2d h PHE 90 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n2d h PHE 90 Cb 0.49 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1n2d h PHE 90 CO 0.00 0.00 0.04 1.96 -2.23 0.00 0.00 178.31 178.08 1n2d h GLN 91 N 0.00 0.00 0.00 1.11 4.20 -1.42 -0.48 115.11 118.51 1n2d h GLN 91 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1n2d h GLN 91 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1n2d h GLN 91 CO 0.00 0.00 -0.04 -0.24 -0.67 0.00 0.00 178.83 177.88 1n2d h VAL 92 N 0.00 0.32 -0.28 -0.54 3.04 -1.77 0.71 116.25 117.73 1n2d h VAL 92 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1n2d h VAL 92 Cb 0.08 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1n2d h VAL 92 CO -0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 1n2d n PHE 93 N -3.48 0.36 -3.15 3.17 3.01 -0.19 -4.52 117.46 112.66 1n2d n PHE 93 Ca -0.02 -0.18 -0.19 0.00 1.01 0.00 0.00 57.45 58.07 1n2d n PHE 93 Cb 0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1n2d n PHE 93 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1n2d n ASP 94 N 0.96 -1.36 0.04 4.37 2.03 0.24 -4.91 116.55 117.91 1n2d n ASP 94 Ca 0.18 -2.62 -0.06 0.00 0.52 0.00 0.00 54.79 52.80 1n2d n ASP 94 Cb 0.48 0.22 0.13 0.00 -0.72 0.00 0.00 41.12 41.23 1n2d n ASP 94 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1n2d h LYS 95 N 5.13 0.41 0.00 -0.67 1.79 -1.79 -2.22 116.57 119.22 1n2d h LYS 95 Ca 0.16 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1n2d h LYS 95 Cb 0.97 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1n2d h LYS 95 CO 0.28 0.79 0.00 0.39 -1.08 0.00 0.00 179.45 179.84 1n2d n GLU 96 N -3.99 0.31 -2.01 3.15 4.71 -1.26 -4.80 120.64 116.75 1n2d n GLU 96 Ca -0.02 0.08 -0.13 0.00 -0.01 0.00 0.00 57.16 57.08 1n2d n GLU 96 Cb 0.54 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.44 1n2d n GLU 96 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1n2d n SER 97 N -1.14 -3.76 0.07 1.62 7.64 -0.84 -4.77 113.62 112.44 1n2d n SER 97 Ca 0.08 0.24 0.06 0.00 1.01 0.00 0.00 58.87 60.26 1n2d n SER 97 Cb 0.08 -3.32 0.30 0.00 -1.01 0.00 0.00 64.21 60.26 1n2d n SER 97 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n2d n THR 98 N -2.79 1.39 -0.93 0.44 -2.24 -1.26 -4.79 114.28 104.10 1n2d n THR 98 Ca -0.14 0.51 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1n2d n THR 98 Cb 0.54 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1n2d n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2d n GLY 99 N -1.03 0.65 3.41 3.38 0.00 -1.26 -4.99 105.19 105.35 1n2d n GLY 99 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1n2d n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2d s LYS 100 N -0.29 1.50 -0.04 1.61 1.02 -1.26 -3.67 119.74 118.60 1n2d s LYS 100 Ca 0.00 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 1n2d s LYS 100 Cb 0.00 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1n2d s LYS 100 CO 0.00 0.31 0.12 0.54 -0.92 0.00 0.00 175.35 175.40 1n2d s VAL 101 N -2.27 -0.00 0.47 3.17 0.11 -0.90 -4.81 120.40 116.18 1n2d s VAL 101 Ca 0.24 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.08 1n2d s VAL 101 Cb -0.05 -0.17 -0.07 0.00 -1.53 0.00 0.00 36.38 34.56 1n2d s VAL 101 CO 0.11 0.01 1.18 -0.94 -3.33 0.00 0.00 175.10 172.13 1n2d s SER 102 N 0.15 6.04 0.54 3.54 1.04 -1.26 -0.51 113.70 123.25 1n2d s SER 102 Ca -0.01 2.35 0.25 0.00 0.48 0.00 0.00 55.95 59.01 1n2d s SER 102 Cb -0.02 -2.60 1.53 0.00 0.10 0.00 0.00 66.02 65.02 1n2d s SER 102 CO -0.00 -1.01 2.16 1.62 0.98 0.00 0.00 173.24 176.99 1n2d h VAL 103 N 1.78 0.71 -0.12 5.02 3.04 -1.78 -0.97 116.25 123.94 1n2d h VAL 103 Ca -0.50 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1n2d h VAL 103 Cb 1.25 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1n2d h VAL 103 CO 0.60 0.05 0.01 1.23 -1.01 0.00 0.00 177.57 178.45 1n2d h GLY 104 N 0.26 0.22 1.36 3.17 0.00 -1.89 -0.31 103.07 105.88 1n2d h GLY 104 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1n2d h GLY 104 CO 0.01 0.14 -0.12 -0.55 0.00 0.00 0.00 176.54 176.02 1n2d h ASP 105 N -0.04 0.75 -0.26 0.19 5.19 -1.72 -1.46 116.42 119.08 1n2d h ASP 105 Ca 0.04 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 1n2d h ASP 105 Cb 0.32 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1n2d h ASP 105 CO 0.00 0.89 0.07 0.25 -3.12 0.00 0.00 179.24 177.33 1n2d h LEU 106 N 0.69 0.39 -1.10 1.55 5.85 -1.07 -1.34 115.31 120.27 1n2d h LEU 106 Ca 0.12 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1n2d h LEU 106 Cb 0.59 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1n2d h LEU 106 CO 0.04 0.51 0.16 -0.09 -0.34 0.00 0.00 178.44 178.72 1n2d h ARG 107 N 0.25 0.80 -0.13 1.25 2.43 -0.94 -1.87 114.38 116.16 1n2d h ARG 107 Ca 0.08 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1n2d h ARG 107 Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1n2d h ARG 107 CO 0.00 0.70 0.04 -0.92 -1.51 0.00 0.00 179.97 178.27 1n2d h TYR 108 N 0.78 0.21 0.00 2.20 3.20 -0.94 0.50 116.97 122.92 1n2d h TYR 108 Ca 0.18 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1n2d h TYR 108 Cb 0.24 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1n2d h TYR 108 CO 0.01 0.34 -0.41 0.00 -1.64 0.00 0.00 178.16 176.47 1n2d h MET 109 N 0.01 0.00 0.14 1.82 -0.00 -1.10 1.26 114.93 117.06 1n2d h MET 109 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.45 1n2d h MET 109 Cb 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.85 1n2d h MET 109 CO -0.00 0.41 -1.25 -0.07 -0.00 0.00 0.00 176.91 176.00 1n2d h LEU 110 N 0.00 0.62 0.00 -0.10 3.38 -1.20 -3.18 115.31 114.84 1n2d h LEU 110 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1n2d h LEU 110 Cb 0.74 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1n2d h LEU 110 CO 0.05 1.46 -1.02 0.35 0.09 0.00 0.00 178.44 179.38 1n2d n THR 111 N -3.65 0.00 0.21 0.22 -2.24 0.16 -0.73 114.28 108.24 1n2d n THR 111 Ca -0.11 -0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1n2d n THR 111 Cb 1.01 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 1n2d n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2d n GLY 112 N 1.43 -0.01 3.51 3.38 0.00 0.43 -4.58 105.19 109.35 1n2d n GLY 112 Ca 0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1n2d n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2d s LEU 113 N -2.88 2.67 0.00 0.99 1.43 -1.18 -4.98 118.68 114.73 1n2d s LEU 113 Ca 0.00 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1n2d s LEU 113 Cb 0.06 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1n2d s LEU 113 CO 0.33 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1n2d n GLY 114 N -0.72 2.72 3.27 -3.19 0.00 -1.26 -3.22 105.19 102.79 1n2d n GLY 114 Ca -0.05 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1n2d n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n2d n GLU 115 N 14.00 3.55 -1.07 1.61 1.02 -1.26 -4.98 120.64 133.51 1n2d n GLU 115 Ca 0.00 -3.94 -0.40 0.00 -0.02 0.00 0.00 57.16 52.80 1n2d n GLU 115 Cb 0.00 -2.88 -0.04 0.00 -0.02 0.00 0.00 31.44 28.50 1n2d n GLU 115 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n2d n LYS 116 N 4.34 0.00 -3.45 3.49 5.02 -1.20 -5.00 118.16 121.37 1n2d n LYS 116 Ca 0.34 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.42 1n2d n LYS 116 Cb 0.40 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 1n2d n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n2d s LEU 117 N 1.07 3.98 0.58 -0.35 1.43 0.09 -4.97 118.68 120.51 1n2d s LEU 117 Ca 0.58 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.70 1n2d s LEU 117 Cb -0.82 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1n2d s LEU 117 CO 0.42 -0.39 0.94 0.42 0.23 0.00 0.00 176.35 177.97 1n2d s THR 118 N -2.25 4.49 0.44 5.49 -4.23 -1.26 -4.31 115.64 114.01 1n2d s THR 118 Ca 0.42 0.49 0.11 0.00 -1.18 0.00 0.00 61.69 61.54 1n2d s THR 118 Cb -0.10 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.20 1n2d s THR 118 CO 0.33 -0.90 2.03 0.44 -0.54 0.00 0.00 174.62 175.98 1n2d h ASP 119 N -0.16 0.21 -0.49 3.99 3.32 -1.98 -2.02 116.42 119.29 1n2d h ASP 119 Ca -0.45 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1n2d h ASP 119 Cb 1.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1n2d h ASP 119 CO 0.62 0.24 -0.01 0.00 -1.72 0.00 0.00 179.24 178.37 1n2d h ALA 120 N 1.79 0.97 -0.37 3.45 0.00 -1.99 0.20 119.26 123.31 1n2d h ALA 120 Ca 0.06 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1n2d h ALA 120 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n2d h ALA 120 CO 0.00 0.63 -0.32 0.93 0.00 0.00 0.00 179.25 180.49 1n2d h GLU 121 N 0.85 0.81 -0.32 0.00 5.08 -1.76 -2.50 114.58 116.75 1n2d h GLU 121 Ca 0.16 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1n2d h GLU 121 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1n2d h GLU 121 CO 0.03 1.01 -0.30 0.28 -1.00 0.00 0.00 179.01 179.03 1n2d h VAL 122 N 0.68 1.29 -0.94 3.13 2.07 -1.11 -2.15 116.25 119.22 1n2d h VAL 122 Ca 0.07 -1.46 0.10 0.00 0.82 0.00 0.00 66.70 66.23 1n2d h VAL 122 Cb 0.86 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 1n2d h VAL 122 CO 0.08 0.47 0.58 0.44 0.02 0.00 0.00 177.57 179.16 1n2d h ASP 123 N 0.53 0.87 -0.45 0.57 3.32 -0.53 -0.60 116.42 120.14 1n2d h ASP 123 Ca 0.05 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1n2d h ASP 123 Cb 0.87 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1n2d h ASP 123 CO 0.07 0.50 0.15 -0.08 -1.72 0.00 0.00 179.24 178.17 1n2d h GLU 124 N 0.98 0.69 -0.08 3.56 4.57 -1.24 -2.54 114.58 120.52 1n2d h GLU 124 Ca 0.44 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1n2d h GLU 124 Cb 0.35 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1n2d h GLU 124 CO -0.23 0.66 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.03 1n2d h LEU 125 N 0.59 0.11 -0.40 1.64 3.38 -0.64 -2.12 115.31 117.88 1n2d h LEU 125 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1n2d h LEU 125 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1n2d h LEU 125 CO -0.01 0.29 -0.03 0.18 0.09 0.00 0.00 178.44 178.97 1n2d n LEU 126 N -4.29 0.64 -4.66 1.67 4.77 -0.32 -4.63 117.00 110.19 1n2d n LEU 126 Ca -0.02 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1n2d n LEU 126 Cb 0.26 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1n2d n LEU 126 CO 0.37 0.11 1.34 -0.54 -1.33 0.00 0.00 177.39 177.35 1n2d s LYS 127 N -2.11 4.14 0.00 3.23 1.02 -0.80 -2.44 119.74 122.79 1n2d s LYS 127 Ca 0.40 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.47 1n2d s LYS 127 Cb 0.21 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1n2d s LYS 127 CO 0.38 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1n2d n GLY 128 N 4.13 3.10 3.71 -3.33 0.00 -1.26 -5.00 105.19 106.55 1n2d n GLY 128 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1n2d n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2d s VAL 129 N -1.64 2.68 0.07 1.61 1.01 -1.02 -4.93 120.40 118.17 1n2d s VAL 129 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.08 1n2d s VAL 129 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1n2d s VAL 129 CO 0.00 0.02 1.21 -0.70 0.00 0.00 0.00 175.10 175.64 1n2d s GLU 130 N 1.60 4.42 -0.14 2.72 2.12 -1.26 -5.03 118.70 123.13 1n2d s GLU 130 Ca 0.72 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.86 1n2d s GLU 130 Cb -0.43 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.64 1n2d s GLU 130 CO 0.32 -0.27 -0.18 0.08 -0.54 0.00 0.00 175.26 174.67 1n2d s VAL 131 N 1.04 1.79 1.01 3.70 1.01 -1.26 -4.56 120.40 123.13 1n2d s VAL 131 Ca 0.59 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1n2d s VAL 131 Cb -0.30 -1.62 0.21 0.00 0.00 0.00 0.00 36.38 34.66 1n2d s VAL 131 CO 0.29 0.50 1.23 1.51 0.00 0.00 0.00 175.10 178.63 1n2d s ASP 132 N 1.16 2.65 0.38 3.32 3.84 -0.76 -4.85 116.67 122.41 1n2d s ASP 132 Ca -0.01 0.49 0.10 0.00 -0.00 0.00 0.00 52.55 53.13 1n2d s ASP 132 Cb -0.14 -0.68 0.86 0.00 -1.38 0.00 0.00 42.92 41.58 1n2d s ASP 132 CO -0.07 -3.04 1.92 0.77 -0.00 0.00 0.00 175.17 174.76 1n2d h SER 133 N -1.84 0.57 0.23 2.11 4.64 -2.01 0.32 113.55 117.57 1n2d h SER 133 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1n2d h SER 133 Cb 1.27 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1n2d h SER 133 CO 0.42 0.33 0.00 0.59 -0.87 0.00 0.00 176.83 177.30 1n2d n ASN 134 N -4.50 0.00 -0.70 4.97 3.02 -1.26 -4.86 115.26 111.92 1n2d n ASN 134 Ca 0.14 -0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 54.33 1n2d n ASN 134 Cb 0.39 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1n2d n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n2d n GLY 135 N 0.46 0.14 3.62 7.41 0.00 0.11 -5.00 105.19 111.94 1n2d n GLY 135 Ca 0.13 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1n2d n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2d s GLU 136 N -4.34 2.16 0.08 1.61 2.02 -1.25 -2.17 118.70 116.81 1n2d s GLU 136 Ca 0.01 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.51 1n2d s GLU 136 Cb -0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 1n2d s GLU 136 CO 0.01 0.31 -0.13 0.96 0.02 0.00 0.00 175.26 176.42 1n2d s ILE 137 N -2.39 1.10 -0.65 -1.63 -5.25 0.34 -1.84 121.20 110.87 1n2d s ILE 137 Ca 0.32 -1.41 -0.28 0.00 -0.99 0.00 0.00 60.65 58.30 1n2d s ILE 137 Cb -0.05 -1.16 0.03 0.00 2.95 0.00 0.00 42.46 44.23 1n2d s ILE 137 CO 0.19 -0.31 1.27 -0.62 -1.79 0.00 0.00 174.94 173.68 1n2d s ASP 138 N -1.94 6.26 0.47 4.36 -1.08 -1.26 -2.12 116.67 121.36 1n2d s ASP 138 Ca 0.00 -0.14 0.19 0.00 -0.52 0.00 0.00 52.55 52.09 1n2d s ASP 138 Cb -0.08 -2.56 1.14 0.00 -1.46 0.00 0.00 42.92 39.96 1n2d s ASP 138 CO 0.02 -1.69 2.00 0.10 0.52 0.00 0.00 175.17 176.12 1n2d h TYR 139 N 10.00 0.00 -0.31 -5.34 -0.00 -1.92 -1.15 116.97 118.25 1n2d h TYR 139 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.43 1n2d h TYR 139 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.78 1n2d h TYR 139 CO 1.08 0.19 0.06 -0.22 -0.00 0.00 0.00 178.16 179.27 1n2d h LYS 140 N 0.00 0.51 -0.49 0.10 3.64 -1.90 0.18 116.57 118.61 1n2d h LYS 140 Ca -0.00 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1n2d h LYS 140 Cb 0.39 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1n2d h LYS 140 CO 0.02 0.60 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.44 1n2d h LYS 141 N 0.34 0.96 0.35 1.90 3.64 -1.88 -0.61 116.57 121.28 1n2d h LYS 141 Ca 0.10 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1n2d h LYS 141 Cb 0.33 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1n2d h LYS 141 CO 0.00 1.05 -0.20 0.35 -2.27 0.00 0.00 179.45 178.38 1n2d h PHE 142 N 0.82 -0.52 -0.45 1.91 3.57 -0.98 0.35 116.94 121.63 1n2d h PHE 142 Ca 0.12 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1n2d h PHE 142 Cb 0.71 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1n2d h PHE 142 CO 0.05 -0.32 0.21 0.82 -2.23 0.00 0.00 178.31 176.85 1n2d h ILE 143 N -0.52 0.95 -0.18 1.41 2.04 -0.61 -0.97 117.51 119.63 1n2d h ILE 143 Ca -0.04 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1n2d h ILE 143 Cb 0.42 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1n2d h ILE 143 CO 0.05 0.08 0.01 -0.33 0.00 0.00 0.00 178.15 177.96 1n2d h GLU 144 N 0.43 0.07 0.00 2.37 5.08 -0.83 -1.93 114.58 119.76 1n2d h GLU 144 Ca 0.20 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1n2d h GLU 144 Cb 0.12 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n2d h GLU 144 CO -0.15 0.05 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.46 1n2d h ASP 145 N 0.07 0.00 0.50 1.42 3.45 0.17 0.80 116.42 122.84 1n2d h ASP 145 Ca 0.08 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.25 1n2d h ASP 145 Cb 0.10 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1n2d h ASP 145 CO -0.13 0.01 -1.55 0.58 -1.57 0.00 0.00 179.24 176.57 1n2d h VAL 146 N 0.00 1.09 0.00 -1.35 2.07 -0.55 -3.38 116.25 114.13 1n2d h VAL 146 Ca -0.00 -2.81 -0.33 0.00 0.82 0.00 0.00 66.70 64.38 1n2d h VAL 146 Cb 0.29 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1n2d h VAL 146 CO 0.00 0.76 -1.80 0.18 0.02 0.00 0.00 177.57 176.73 1n2d n LEU 147 N -3.33 1.90 0.03 2.57 4.32 -0.79 -4.39 117.00 117.32 1n2d n LEU 147 Ca -0.16 0.39 0.22 0.00 -0.02 0.00 0.00 56.01 56.44 1n2d n LEU 147 Cb 1.03 -0.90 0.67 0.00 -1.62 0.00 0.00 43.42 42.60 1n2d n LEU 147 CO 0.48 0.39 1.20 0.08 -1.22 0.00 0.00 177.39 178.31 1n2d h ARG 148 N -1.00 0.00 0.00 3.23 -0.00 -1.07 -3.52 114.38 112.02 1n2d h ARG 148 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1n2d h ARG 148 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.39 1n2d h ARG 148 CO -0.30 0.00 0.00 1.04 -0.00 0.00 0.00 179.97 180.71