#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pey s GLU 4 N 0.00 4.50 -0.13 -3.83 2.56 -1.26 -4.88 118.70 115.65 1pey s GLU 4 Ca 0.00 1.64 -0.04 0.00 0.00 0.00 0.00 54.97 56.57 1pey s GLU 4 Cb 0.00 -3.38 -0.03 0.00 2.00 0.00 0.00 34.13 32.72 1pey s GLU 4 CO 0.00 -0.14 0.02 0.15 -0.56 0.00 0.00 175.26 174.72 1pey s LYS 5 N 0.86 3.46 -0.08 4.30 1.02 -1.26 -0.15 119.74 127.89 1pey s LYS 5 Ca 0.55 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.17 1pey s LYS 5 Cb -0.27 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1pey s LYS 5 CO 0.29 0.47 -0.15 0.42 -0.92 0.00 0.00 175.35 175.47 1pey s ILE 6 N -0.24 1.35 -0.19 2.17 1.01 -0.11 -1.37 121.20 123.83 1pey s ILE 6 Ca 0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1pey s ILE 6 Cb -0.12 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1pey s ILE 6 CO 0.02 0.40 0.01 -0.22 0.00 0.00 0.00 174.94 175.15 1pey s LEU 7 N 0.67 3.39 -0.33 2.97 2.96 0.56 -1.60 118.68 127.30 1pey s LEU 7 Ca -0.14 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1pey s LEU 7 Cb -0.16 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1pey s LEU 7 CO 0.04 0.11 0.18 -0.63 -1.32 0.00 0.00 176.35 174.73 1pey s ILE 8 N 0.71 4.68 -0.31 6.68 1.09 0.30 -0.92 121.20 133.45 1pey s ILE 8 Ca 0.00 -0.51 -0.05 0.00 -1.10 0.00 0.00 60.65 58.99 1pey s ILE 8 Cb -0.14 -3.45 0.03 0.00 -1.06 0.00 0.00 42.46 37.84 1pey s ILE 8 CO 0.02 -0.02 0.06 -0.69 -0.10 0.00 0.00 174.94 174.21 1pey s VAL 9 N 1.61 3.65 -0.28 2.92 1.01 0.20 -1.67 120.40 127.84 1pey s VAL 9 Ca 0.04 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1pey s VAL 9 Cb -0.18 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1pey s VAL 9 CO 0.07 -0.02 0.73 -0.62 0.00 0.00 0.00 175.10 175.25 1pey s ASP 10 N 1.41 -0.87 0.33 3.32 -1.08 -0.81 -0.66 116.67 118.32 1pey s ASP 10 Ca -0.00 1.44 0.26 0.00 -0.52 0.00 0.00 52.55 53.73 1pey s ASP 10 Cb -0.18 1.38 1.01 0.00 -1.46 0.00 0.00 42.92 43.67 1pey s ASP 10 CO 0.01 -0.23 1.78 -2.24 0.52 0.00 0.00 175.17 175.01 1pey h ASP 11 N 6.56 0.00 -3.38 -0.34 2.03 -1.81 -3.39 116.42 116.09 1pey h ASP 11 Ca -0.30 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.28 1pey h ASP 11 Cb 1.22 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.51 1pey h ASP 11 CO 0.15 0.00 -0.28 -1.10 -1.03 0.00 0.00 179.24 176.98 1pey s GLN 12 N -3.36 3.02 0.32 4.15 -0.21 -1.26 -4.96 119.66 117.35 1pey s GLN 12 Ca 0.05 -1.11 0.09 0.00 0.02 0.00 0.00 55.36 54.41 1pey s GLN 12 Cb 0.09 -4.06 0.90 0.00 1.00 0.00 0.00 33.01 30.94 1pey s GLN 12 CO 0.47 -0.96 1.69 0.77 -2.12 0.00 0.00 175.29 175.14 1pey h SER 13 N 8.76 0.46 0.67 5.90 0.02 -1.98 0.43 113.55 127.80 1pey h SER 13 Ca -0.28 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1pey h SER 13 Cb 1.11 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1pey h SER 13 CO 0.84 -0.03 -0.46 1.23 -1.14 0.00 0.00 176.83 177.27 1pey h GLY 14 N 0.41 -1.26 1.00 -3.77 0.00 -1.97 -1.01 103.07 96.48 1pey h GLY 14 Ca 0.64 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 48.49 1pey h GLY 14 CO -0.55 -0.41 0.36 -2.22 0.00 0.00 0.00 176.54 173.72 1pey h ILE 15 N -1.07 1.20 -0.34 2.60 2.04 -1.85 -1.64 117.51 118.44 1pey h ILE 15 Ca -0.09 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1pey h ILE 15 Cb 0.87 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1pey h ILE 15 CO 0.06 0.21 0.21 -0.09 0.00 0.00 0.00 178.15 178.55 1pey h ARG 16 N 0.87 0.42 -0.48 2.37 2.43 -0.87 -1.52 114.38 117.60 1pey h ARG 16 Ca 0.23 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1pey h ARG 16 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1pey h ARG 16 CO -0.04 0.28 -0.01 0.82 -1.51 0.00 0.00 179.97 179.51 1pey h ILE 17 N 0.43 1.24 0.78 1.20 2.04 -1.06 -1.53 117.51 120.61 1pey h ILE 17 Ca 0.13 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1pey h ILE 17 Cb -0.03 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1pey h ILE 17 CO -0.04 0.36 -0.49 0.25 0.00 0.00 0.00 178.15 178.23 1pey h LEU 18 N 0.75 -1.23 -0.66 1.44 7.12 -0.92 -2.14 115.31 119.67 1pey h LEU 18 Ca 0.14 0.07 0.05 0.00 0.13 0.00 0.00 57.88 58.28 1pey h LEU 18 Cb 0.47 0.36 -0.05 0.00 -0.53 0.00 0.00 40.66 40.91 1pey h LEU 18 CO 0.02 -0.75 0.37 -0.07 -0.13 0.00 0.00 178.44 177.89 1pey h LEU 19 N -1.19 0.55 -0.64 2.25 3.38 -1.22 -2.03 115.31 116.41 1pey h LEU 19 Ca -0.10 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1pey h LEU 19 Cb 0.96 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1pey h LEU 19 CO 0.10 0.36 0.27 -1.13 0.09 0.00 0.00 178.44 178.14 1pey h ASN 20 N 0.69 0.31 -0.56 -0.43 -0.73 -1.18 -1.85 115.58 111.83 1pey h ASN 20 Ca 0.29 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.44 1pey h ASN 20 Cb 0.16 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1pey h ASN 20 CO -0.17 0.18 -0.01 -0.08 -0.37 0.00 0.00 177.43 176.98 1pey h GLU 21 N 0.48 1.00 -0.38 6.67 4.57 -0.91 -0.21 114.58 125.80 1pey h GLU 21 Ca 0.32 -0.32 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1pey h GLU 21 Cb 0.37 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 1pey h GLU 21 CO -0.29 1.00 0.01 0.28 -1.18 0.00 0.00 179.01 178.83 1pey h VAL 22 N 0.88 0.73 0.00 0.32 2.07 -0.65 -0.08 116.25 119.52 1pey h VAL 22 Ca 0.16 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1pey h VAL 22 Cb 0.55 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1pey h VAL 22 CO 0.03 0.02 -0.30 -0.26 0.02 0.00 0.00 177.57 177.08 1pey h PHE 23 N 0.11 0.00 -0.28 1.57 0.04 -1.33 -3.01 116.94 114.05 1pey h PHE 23 Ca 0.18 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.78 1pey h PHE 23 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1pey h PHE 23 CO -0.25 0.09 -0.53 -0.97 -0.60 0.00 0.00 178.31 176.05 1pey h ASN 24 N 0.00 0.95 0.28 2.17 -1.24 -0.43 -2.20 115.58 115.10 1pey h ASN 24 Ca -0.01 -0.54 -0.04 0.00 0.71 0.00 0.00 56.30 56.42 1pey h ASN 24 Cb 1.08 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 1pey h ASN 24 CO 0.01 1.30 -0.21 0.11 -1.29 0.00 0.00 177.43 177.35 1pey h LYS 25 N 0.62 0.00 0.00 6.67 1.57 -1.04 -1.82 116.57 122.58 1pey h LYS 25 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pey h LYS 25 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1pey h LYS 25 CO 0.12 0.21 0.00 0.93 -0.57 0.00 0.00 179.45 180.14 1pey h GLU 26 N 0.00 0.00 0.00 3.15 4.39 -1.35 -3.47 114.58 117.30 1pey h GLU 26 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pey h GLU 26 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1pey h GLU 26 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1pey n GLY 27 N 0.53 0.77 3.85 -3.84 0.00 -0.68 -5.06 105.19 100.75 1pey n GLY 27 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1pey n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pey s TYR 28 N -2.00 3.47 -0.33 1.61 2.02 -0.86 -4.80 117.35 116.46 1pey s TYR 28 Ca 0.00 1.41 -0.19 0.00 -0.37 0.00 0.00 57.07 57.92 1pey s TYR 28 Cb 0.00 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1pey s TYR 28 CO 0.00 -0.57 0.55 -1.14 -1.57 0.00 0.00 175.55 172.82 1pey s GLN 29 N -4.50 3.73 0.19 -0.62 0.74 0.79 -4.44 119.66 115.55 1pey s GLN 29 Ca 0.58 0.00 0.07 0.00 0.05 0.00 0.00 55.36 56.06 1pey s GLN 29 Cb -0.11 -3.77 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1pey s GLN 29 CO 0.41 -0.61 0.08 0.95 -0.55 0.00 0.00 175.29 175.57 1pey s THR 30 N 2.46 4.07 0.03 -0.34 -4.23 -1.26 -0.93 115.64 115.44 1pey s THR 30 Ca 0.21 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1pey s THR 30 Cb -0.15 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 1pey s THR 30 CO 0.13 -0.17 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.66 1pey s PHE 31 N -1.86 0.37 0.04 3.99 0.08 -0.62 -4.95 117.98 115.03 1pey s PHE 31 Ca 0.30 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1pey s PHE 31 Cb -0.09 -0.27 -0.02 0.00 -0.57 0.00 0.00 43.02 42.07 1pey s PHE 31 CO 0.21 -0.29 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.26 1pey s GLN 32 N -2.63 0.89 -0.04 0.44 -0.21 -1.26 -0.54 119.66 116.32 1pey s GLN 32 Ca -0.05 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 1pey s GLN 32 Cb -0.01 -0.90 0.01 0.00 1.00 0.00 0.00 33.01 33.11 1pey s GLN 32 CO -0.05 0.22 0.17 0.00 -2.12 0.00 0.00 175.29 173.50 1pey s ALA 33 N -0.93 -0.41 -0.79 6.09 0.00 -0.67 -4.94 121.76 120.11 1pey s ALA 33 Ca 0.01 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.38 1pey s ALA 33 Cb -0.08 -0.12 -0.20 0.00 0.00 0.00 0.00 23.12 22.73 1pey s ALA 33 CO 0.01 -0.14 0.73 0.00 0.00 0.00 0.00 175.76 176.36 1pey n ALA 34 N 2.30 4.23 -3.37 0.00 0.00 -1.26 -1.92 120.51 120.48 1pey n ALA 34 Ca -0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 1pey n ALA 34 Cb 0.57 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 1pey n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pey s ASN 35 N -2.73 0.46 0.20 0.00 2.20 -1.26 -3.65 114.94 110.16 1pey s ASN 35 Ca 0.06 -1.32 -0.08 0.00 -0.94 0.00 0.00 52.86 50.58 1pey s ASN 35 Cb 0.13 0.77 0.11 0.00 -2.00 0.00 0.00 41.25 40.26 1pey s ASN 35 CO 0.72 -1.51 1.70 1.23 -2.94 0.00 0.00 177.10 176.31 1pey h GLY 36 N 2.05 1.22 0.98 0.45 0.00 -1.96 -2.73 103.07 103.07 1pey h GLY 36 Ca -0.30 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.23 1pey h GLY 36 CO 0.40 0.73 0.26 1.41 0.00 0.00 0.00 176.54 179.34 1pey h LEU 37 N 1.07 0.59 -0.72 3.11 3.38 -1.98 0.38 115.31 121.14 1pey h LEU 37 Ca 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1pey h LEU 37 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1pey h LEU 37 CO 0.01 0.51 0.24 1.56 0.09 0.00 0.00 178.44 180.85 1pey h GLN 38 N 0.62 1.10 0.20 1.13 4.20 -1.99 -0.30 115.11 120.06 1pey h GLN 38 Ca 0.17 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pey h GLN 38 Cb 0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1pey h GLN 38 CO -0.03 0.93 -0.19 0.00 -0.67 0.00 0.00 178.83 178.87 1pey h ALA 39 N 1.12 -0.39 -0.94 3.87 0.00 -1.11 -0.07 119.26 121.74 1pey h ALA 39 Ca 0.23 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1pey h ALA 39 Cb 0.27 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1pey h ALA 39 CO -0.01 -0.74 0.62 -0.07 0.00 0.00 0.00 179.25 179.04 1pey h LEU 40 N -0.42 1.03 -0.03 0.00 4.07 0.09 -1.51 115.31 118.55 1pey h LEU 40 Ca -0.00 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1pey h LEU 40 Cb 0.39 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1pey h LEU 40 CO -0.04 0.72 -0.03 -0.78 -1.08 0.00 0.00 178.44 177.22 1pey h ASP 41 N 1.20 -0.09 -0.24 -0.43 3.58 -0.56 -2.28 116.42 117.60 1pey h ASP 41 Ca 0.37 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.74 1pey h ASP 41 Cb -0.02 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1pey h ASP 41 CO -0.11 -0.04 -0.18 0.40 -2.88 0.00 0.00 179.24 176.43 1pey h ILE 42 N -0.04 1.26 -0.84 2.25 2.04 -0.67 -1.66 117.51 119.86 1pey h ILE 42 Ca 0.02 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1pey h ILE 42 Cb 0.07 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1pey h ILE 42 CO -0.05 0.41 0.53 0.58 0.00 0.00 0.00 178.15 179.61 1pey h VAL 43 N 0.61 1.22 0.02 1.67 2.07 -1.07 0.38 116.25 121.16 1pey h VAL 43 Ca 0.10 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1pey h VAL 43 Cb 0.64 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1pey h VAL 43 CO 0.05 0.23 -0.01 0.74 0.02 0.00 0.00 177.57 178.59 1pey h THR 44 N 1.15 1.30 0.05 2.57 2.02 -1.05 -0.03 112.91 118.91 1pey h THR 44 Ca 0.30 -0.99 -0.25 0.00 0.77 0.00 0.00 66.41 66.24 1pey h THR 44 Cb -0.09 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1pey h THR 44 CO -0.06 0.25 -1.23 0.50 0.37 0.00 0.00 175.52 175.35 1pey h LYS 45 N -0.46 0.11 0.00 6.66 3.64 -1.18 -3.38 116.57 121.96 1pey h LYS 45 Ca -0.00 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.06 1pey h LYS 45 Cb 0.44 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1pey h LYS 45 CO 0.00 1.01 -1.98 0.39 -2.27 0.00 0.00 179.45 176.61 1pey n GLU 46 N -3.37 0.87 -3.76 1.90 -0.58 0.13 -5.03 120.64 110.80 1pey n GLU 46 Ca -0.07 -0.09 -0.34 0.00 -0.42 0.00 0.00 57.16 56.24 1pey n GLU 46 Cb 0.99 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 30.47 1pey n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pey n ARG 47 N -2.36 -1.01 -1.50 3.49 1.74 -0.03 -4.91 116.66 112.10 1pey n ARG 47 Ca -0.14 0.40 -0.34 0.00 -0.77 0.00 0.00 57.85 57.00 1pey n ARG 47 Cb 0.74 -3.74 0.08 0.00 -1.02 0.00 0.00 32.46 28.52 1pey n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pey s PRO 48 N -6.20 2.25 0.07 5.56 0.05 -1.26 -4.96 135.00 130.51 1pey s PRO 48 Ca 0.46 1.72 -0.10 0.00 0.05 0.00 0.00 61.00 63.12 1pey s PRO 48 Cb -0.18 -1.85 -0.26 0.00 0.05 0.00 0.00 34.50 32.25 1pey s PRO 48 CO 0.88 -1.74 1.13 -0.44 0.05 0.00 0.00 177.00 176.89 1pey h ASP 49 N -0.21 0.69 -4.20 6.66 3.32 -1.57 -3.43 116.42 117.68 1pey h ASP 49 Ca -0.48 -0.66 -0.27 0.00 0.02 0.00 0.00 57.03 55.64 1pey h ASP 49 Cb 1.29 -0.22 -0.26 0.00 0.22 0.00 0.00 39.33 40.36 1pey h ASP 49 CO 0.50 1.49 -0.73 -0.22 -1.72 0.00 0.00 179.24 178.56 1pey s LEU 50 N -7.60 2.09 -0.06 1.55 2.96 -0.71 -1.74 118.68 115.16 1pey s LEU 50 Ca -0.07 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1pey s LEU 50 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 46.19 46.62 1pey s LEU 50 CO 0.91 -0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 175.01 1pey s VAL 51 N -0.55 1.53 -0.45 1.68 1.01 -0.30 -0.32 120.40 122.99 1pey s VAL 51 Ca -0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1pey s VAL 51 Cb -0.04 -1.33 0.09 0.00 0.00 0.00 0.00 36.38 35.09 1pey s VAL 51 CO -0.00 0.44 0.33 -0.76 0.00 0.00 0.00 175.10 175.11 1pey s LEU 52 N 0.28 5.46 -0.44 3.92 1.02 -0.09 -1.26 118.68 127.56 1pey s LEU 52 Ca -0.10 -1.52 -0.15 0.00 0.02 0.00 0.00 54.13 52.38 1pey s LEU 52 Cb -0.14 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.05 1pey s LEU 52 CO 0.04 -0.62 0.35 -0.22 0.02 0.00 0.00 176.35 175.92 1pey s LEU 53 N 1.50 5.39 -0.20 1.79 2.96 -0.58 -0.63 118.68 128.92 1pey s LEU 53 Ca 0.04 -1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 1pey s LEU 53 Cb -0.24 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 1pey s LEU 53 CO 0.03 -0.57 1.48 -0.62 -1.32 0.00 0.00 176.35 175.36 1pey s ASP 54 N 2.23 6.61 0.00 3.68 2.15 0.17 -0.45 116.67 131.05 1pey s ASP 54 Ca 0.04 1.66 0.29 0.00 0.43 0.00 0.00 52.55 54.97 1pey s ASP 54 Cb -0.22 -2.54 1.52 0.00 -0.30 0.00 0.00 42.92 41.38 1pey s ASP 54 CO 0.07 -1.06 2.03 0.23 -0.17 0.00 0.00 175.17 176.28 1pey n MET 55 N 7.27 0.49 -3.91 4.34 2.81 0.37 -4.40 117.12 124.09 1pey n MET 55 Ca 0.17 0.01 -0.29 0.00 -1.81 0.00 0.00 57.70 55.78 1pey n MET 55 Cb 0.45 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.33 1pey n MET 55 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pey s LYS 56 N -2.49 2.31 -0.12 0.03 3.01 -1.26 -4.51 119.74 116.70 1pey s LYS 56 Ca 0.30 -3.13 0.01 0.00 -1.01 0.00 0.00 55.97 52.15 1pey s LYS 56 Cb 0.20 -3.37 0.02 0.00 -1.01 0.00 0.00 37.83 33.67 1pey s LYS 56 CO 0.43 -1.24 -0.14 0.42 0.51 0.00 0.00 175.35 175.33 1pey s ILE 57 N -1.11 1.48 0.09 2.17 1.01 -1.26 -4.84 121.20 118.74 1pey s ILE 57 Ca 0.23 -0.61 -0.35 0.00 0.00 0.00 0.00 60.65 59.91 1pey s ILE 57 Cb -0.11 -1.37 -0.15 0.00 0.01 0.00 0.00 42.46 40.85 1pey s ILE 57 CO -0.12 0.44 1.51 -2.65 0.00 0.00 0.00 174.94 174.12 1pey n PRO 58 N 4.38 1.69 -0.27 2.79 -0.02 -1.26 -1.23 135.00 141.09 1pey n PRO 58 Ca -0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1pey n PRO 58 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1pey n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pey n GLY 59 N 3.17 1.71 3.70 -1.23 0.00 -1.26 -5.03 105.19 106.25 1pey n GLY 59 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1pey n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pey s MET 60 N -0.27 3.82 -0.59 1.61 0.00 -0.36 -5.05 119.30 118.46 1pey s MET 60 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 55.69 55.23 1pey s MET 60 Cb 0.00 -3.20 0.13 0.00 0.00 0.00 0.00 34.83 31.76 1pey s MET 60 CO 0.00 0.41 0.60 0.34 0.00 0.00 0.00 175.02 176.37 1pey s ASP 61 N -0.01 6.25 0.19 1.11 -1.08 -1.26 -4.66 116.67 117.20 1pey s ASP 61 Ca 0.07 -1.76 -0.17 0.00 -0.52 0.00 0.00 52.55 50.17 1pey s ASP 61 Cb -0.12 -2.24 0.15 0.00 -1.46 0.00 0.00 42.92 39.25 1pey s ASP 61 CO 0.01 -0.92 1.63 1.23 0.52 0.00 0.00 175.17 177.63 1pey h GLY 62 N 9.17 0.20 1.66 2.66 0.00 -1.93 -1.38 103.07 113.46 1pey h GLY 62 Ca -0.25 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1pey h GLY 62 CO 1.04 -0.21 0.18 -2.22 0.00 0.00 0.00 176.54 175.32 1pey h ILE 63 N -0.08 1.11 -0.29 2.60 1.08 -1.93 -2.51 117.51 117.48 1pey h ILE 63 Ca 0.24 -0.28 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 1pey h ILE 63 Cb 0.45 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1pey h ILE 63 CO -0.57 0.12 -0.32 -0.08 -0.69 0.00 0.00 178.15 176.61 1pey h GLU 64 N 0.46 0.73 0.00 2.37 4.57 -1.68 -2.20 114.58 118.83 1pey h GLU 64 Ca 0.12 -0.40 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 1pey h GLU 64 Cb 0.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1pey h GLU 64 CO -0.02 1.02 -0.36 0.82 -1.18 0.00 0.00 179.01 179.30 1pey h ILE 65 N 0.48 1.07 0.05 2.32 1.08 -1.16 -0.64 117.51 120.71 1pey h ILE 65 Ca 0.04 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1pey h ILE 65 Cb 0.90 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1pey h ILE 65 CO 0.08 0.35 -0.02 0.25 -0.69 0.00 0.00 178.15 178.11 1pey h LEU 66 N 0.00 -0.06 -0.21 1.44 6.46 -1.40 -0.90 115.31 120.64 1pey h LEU 66 Ca -0.00 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.47 1pey h LEU 66 Cb 0.71 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 1pey h LEU 66 CO 0.05 0.31 -0.11 0.11 -0.62 0.00 0.00 178.44 178.18 1pey h LYS 67 N -0.43 -0.09 -0.48 1.25 1.57 -0.97 -0.68 116.57 116.73 1pey h LYS 67 Ca -0.01 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1pey h LYS 67 Cb 0.39 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1pey h LYS 67 CO 0.01 -0.06 0.14 0.00 -0.57 0.00 0.00 179.45 178.98 1pey h ARG 68 N -0.09 0.75 -0.60 3.15 3.08 -1.15 -2.12 114.38 117.40 1pey h ARG 68 Ca 0.12 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1pey h ARG 68 Cb 0.27 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1pey h ARG 68 CO -0.27 0.71 0.38 0.52 -1.07 0.00 0.00 179.97 180.24 1pey h MET 69 N 0.65 0.73 -0.66 0.04 2.86 -0.80 -0.24 114.93 117.51 1pey h MET 69 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1pey h MET 69 Cb 0.28 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1pey h MET 69 CO -0.00 0.48 0.39 0.87 1.06 0.00 0.00 176.91 179.71 1pey h LYS 70 N 0.75 0.89 -0.01 1.72 1.79 -0.85 0.16 116.57 121.03 1pey h LYS 70 Ca 0.24 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1pey h LYS 70 Cb -0.01 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1pey h LYS 70 CO -0.09 0.63 -0.01 0.28 -1.08 0.00 0.00 179.45 179.18 1pey h VAL 71 N 0.91 1.44 -0.30 0.50 2.07 -0.69 -0.02 116.25 120.16 1pey h VAL 71 Ca 0.24 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1pey h VAL 71 Cb -0.03 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1pey h VAL 71 CO -0.04 0.35 0.14 0.40 0.02 0.00 0.00 177.57 178.43 1pey h ILE 72 N -0.53 1.11 -1.13 4.57 2.04 -0.83 -3.39 117.51 119.36 1pey h ILE 72 Ca 0.00 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1pey h ILE 72 Cb 0.57 0.73 -0.22 0.00 -0.74 0.00 0.00 36.82 37.17 1pey h ILE 72 CO 0.00 0.13 -0.44 -0.62 0.00 0.00 0.00 178.15 177.22 1pey s ASP 73 N -6.78 -1.22 0.00 1.72 2.15 0.02 -4.99 116.67 107.58 1pey s ASP 73 Ca -0.07 -0.29 0.17 0.00 0.43 0.00 0.00 52.55 52.79 1pey s ASP 73 Cb 0.17 1.83 1.02 0.00 -0.30 0.00 0.00 42.92 45.63 1pey s ASP 73 CO 0.73 -0.26 1.49 -1.84 -0.17 0.00 0.00 175.17 175.11 1pey n GLU 74 N 5.03 0.74 -0.00 4.34 0.28 -0.03 -2.13 120.64 128.87 1pey n GLU 74 Ca 0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.17 1pey n GLU 74 Cb 0.54 -1.36 -0.09 0.00 1.43 0.00 0.00 31.44 31.96 1pey n GLU 74 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pey n ASN 75 N -0.86 0.91 -4.72 -1.84 3.02 -1.26 -4.96 115.26 105.55 1pey n ASN 75 Ca 0.13 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 1pey n ASN 75 Cb 0.06 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1pey n ASN 75 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pey s ILE 76 N -3.03 4.15 -0.07 2.41 2.07 -0.91 -4.98 121.20 120.84 1pey s ILE 76 Ca 0.07 1.67 -0.02 0.00 -1.41 0.00 0.00 60.65 60.96 1pey s ILE 76 Cb 0.16 -4.07 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1pey s ILE 76 CO 0.86 0.20 0.03 -0.13 -1.91 0.00 0.00 174.94 173.99 1pey s ARG 77 N 0.42 3.03 0.01 3.50 0.52 -0.71 -4.93 118.95 120.79 1pey s ARG 77 Ca 0.53 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1pey s ARG 77 Cb -0.28 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1pey s ARG 77 CO 0.31 0.70 -0.19 0.08 0.02 0.00 0.00 175.30 176.22 1pey s VAL 78 N -0.98 1.49 -0.19 3.52 1.01 -1.26 -1.15 120.40 122.85 1pey s VAL 78 Ca 0.16 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1pey s VAL 78 Cb -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1pey s VAL 78 CO 0.05 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.64 1pey s ILE 79 N -0.59 2.08 0.16 2.22 1.01 -0.39 0.13 121.20 125.81 1pey s ILE 79 Ca 0.07 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1pey s ILE 79 Cb -0.08 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 1pey s ILE 79 CO 0.00 0.45 0.50 0.27 0.00 0.00 0.00 174.94 176.17 1pey s ILE 80 N 1.26 4.96 -0.18 2.92 -4.36 -0.92 -1.52 121.20 123.36 1pey s ILE 80 Ca 0.03 0.54 -0.01 0.00 -0.26 0.00 0.00 60.65 60.94 1pey s ILE 80 Cb -0.14 -3.66 -0.00 0.00 1.25 0.00 0.00 42.46 39.90 1pey s ILE 80 CO -0.12 0.11 -0.11 -0.04 0.24 0.00 0.00 174.94 175.02 1pey s MET 81 N -2.35 3.28 0.52 0.37 -1.94 0.40 -1.67 119.30 117.92 1pey s MET 81 Ca 0.41 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.72 1pey s MET 81 Cb -0.13 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 33.94 1pey s MET 81 CO 0.20 -0.06 0.14 0.95 -0.01 0.00 0.00 175.02 176.24 1pey s THR 82 N 1.04 1.34 0.58 2.05 -4.23 0.31 -0.48 115.64 116.26 1pey s THR 82 Ca -0.00 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.61 1pey s THR 82 Cb -0.15 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 1pey s THR 82 CO -0.02 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 174.97 1pey s ALA 83 N -2.84 3.26 -1.09 3.99 0.00 -1.26 -0.68 121.76 123.14 1pey s ALA 83 Ca 0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 1pey s ALA 83 Cb 0.00 -2.69 -0.13 0.00 0.00 0.00 0.00 23.12 20.31 1pey s ALA 83 CO 0.09 -0.73 1.95 0.98 0.00 0.00 0.00 175.76 178.06 1pey n TYR 84 N -2.57 2.27 0.00 0.00 4.19 -1.20 -4.57 117.16 115.27 1pey n TYR 84 Ca 0.04 -1.26 0.00 0.00 3.31 0.00 0.00 57.90 59.99 1pey n TYR 84 Cb 0.57 -2.47 0.00 0.00 0.49 0.00 0.00 39.34 37.92 1pey n TYR 84 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1pey n GLY 85 N 5.68 -0.95 0.98 2.98 0.00 -1.26 -5.08 105.19 107.54 1pey n GLY 85 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1pey n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pey n GLU 86 N 0.00 -0.14 -0.28 1.61 -0.58 -1.26 -5.00 120.64 114.99 1pey n GLU 86 Ca 0.00 0.22 -0.03 0.00 -0.42 0.00 0.00 57.16 56.93 1pey n GLU 86 Cb 0.00 -0.21 0.14 0.00 -0.57 0.00 0.00 31.44 30.80 1pey n GLU 86 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1pey h LEU 87 N 2.00 1.01 -0.23 -4.62 8.10 -2.01 -1.69 115.31 117.87 1pey h LEU 87 Ca 0.00 -0.09 -0.10 0.00 0.11 0.00 0.00 57.88 57.80 1pey h LEU 87 Cb 0.15 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.11 1pey h LEU 87 CO 0.00 0.82 -0.26 0.44 -4.11 0.00 0.00 178.44 175.32 1pey h ASP 88 N 1.14 0.62 -0.19 0.17 3.32 -1.98 -1.34 116.42 118.16 1pey h ASP 88 Ca 0.29 -0.49 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1pey h ASP 88 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1pey h ASP 88 CO -0.05 0.99 0.11 -0.03 -1.72 0.00 0.00 179.24 178.54 1pey h MET 89 N 0.27 0.22 -0.42 3.56 4.05 -1.95 0.21 114.93 120.87 1pey h MET 89 Ca 0.03 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1pey h MET 89 Cb 0.83 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 1pey h MET 89 CO 0.06 0.14 0.17 0.82 0.23 0.00 0.00 176.91 178.33 1pey h ILE 90 N 0.22 1.20 -0.92 1.77 2.04 -1.29 -0.66 117.51 119.87 1pey h ILE 90 Ca 0.07 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pey h ILE 90 Cb -0.00 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1pey h ILE 90 CO -0.04 0.22 0.59 -0.61 0.00 0.00 0.00 178.15 178.32 1pey h GLN 91 N 0.53 1.23 -0.31 2.37 5.75 -0.98 0.31 115.11 124.00 1pey h GLN 91 Ca 0.14 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1pey h GLN 91 Cb 0.19 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1pey h GLN 91 CO -0.01 0.83 -0.05 1.49 -2.65 0.00 0.00 178.83 178.44 1pey h GLU 92 N 1.26 0.58 -0.17 1.69 4.81 -0.60 -1.36 114.58 120.79 1pey h GLU 92 Ca 0.34 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1pey h GLU 92 Cb -0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1pey h GLU 92 CO -0.07 0.75 -0.34 0.66 -0.73 0.00 0.00 179.01 179.28 1pey h SER 93 N 0.36 0.35 -0.20 1.04 4.64 -0.78 -1.64 113.55 117.32 1pey h SER 93 Ca 0.08 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1pey h SER 93 Cb 0.52 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1pey h SER 93 CO 0.03 0.68 0.05 0.50 -0.87 0.00 0.00 176.83 177.21 1pey h LYS 94 N 0.30 0.32 0.00 4.77 3.64 -0.81 0.28 116.57 125.07 1pey h LYS 94 Ca 0.04 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1pey h LYS 94 Cb 0.75 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1pey h LYS 94 CO 0.06 0.45 -0.05 0.93 -2.27 0.00 0.00 179.45 178.57 1pey h GLU 95 N 0.14 0.00 -0.01 1.90 5.08 -0.94 -0.49 114.58 120.26 1pey h GLU 95 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1pey h GLU 95 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pey h GLU 95 CO 0.00 0.05 -0.02 1.28 -1.00 0.00 0.00 179.01 179.32 1pey n LEU 96 N -4.28 1.06 0.00 1.33 4.77 -0.64 -4.92 117.00 114.31 1pey n LEU 96 Ca -0.03 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1pey n LEU 96 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1pey n LEU 96 CO 0.33 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1pey n GLY 97 N 1.14 0.56 3.57 -0.72 0.00 -0.19 -5.05 105.19 104.50 1pey n GLY 97 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1pey n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pey n ALA 98 N -1.83 -0.47 -0.05 4.61 0.00 0.93 -4.75 120.51 118.96 1pey n ALA 98 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1pey n ALA 98 Cb 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 17.40 1pey n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pey h LEU 99 N 1.72 0.49 0.00 0.00 4.07 -0.64 -3.43 115.31 117.52 1pey h LEU 99 Ca -0.40 -0.55 0.12 0.00 0.08 0.00 0.00 57.88 57.13 1pey h LEU 99 Cb 1.35 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 1pey h LEU 99 CO 0.59 0.95 0.32 1.07 -1.08 0.00 0.00 178.44 180.29 1pey n THR 100 N -4.41 0.00 -4.03 0.22 5.66 -1.26 -5.06 114.28 105.40 1pey n THR 100 Ca -0.07 -0.10 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 1pey n THR 100 Cb 0.46 0.24 -0.10 0.00 -1.55 0.00 0.00 70.33 69.38 1pey n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1pey s HIS 101 N -3.14 0.38 0.00 1.09 -3.43 -1.26 -2.17 115.29 106.76 1pey s HIS 101 Ca 0.11 -0.80 0.01 0.00 -0.80 0.00 0.00 55.06 53.58 1pey s HIS 101 Cb -0.01 -0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.85 1pey s HIS 101 CO 0.00 -0.30 -0.04 -0.06 -2.00 0.00 0.00 174.74 172.34 1pey s PHE 102 N -2.82 0.37 0.09 0.38 0.08 -0.67 -4.98 117.98 110.43 1pey s PHE 102 Ca -0.03 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 1pey s PHE 102 Cb -0.00 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 1pey s PHE 102 CO -0.06 -0.03 0.33 0.00 -0.10 0.00 0.00 175.22 175.37 1pey s ALA 103 N -0.32 3.82 0.10 5.36 0.00 -1.26 -0.53 121.76 128.93 1pey s ALA 103 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1pey s ALA 103 Cb -0.03 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1pey s ALA 103 CO -0.00 0.67 0.33 0.15 0.00 0.00 0.00 175.76 176.91 1pey s LYS 104 N -2.32 3.59 0.28 0.00 1.02 0.14 -3.19 119.74 119.27 1pey s LYS 104 Ca 0.36 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1pey s LYS 104 Cb -0.13 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.16 1pey s LYS 104 CO 0.22 0.53 1.19 -1.25 -0.92 0.00 0.00 175.35 175.12 1pey s PRO 105 N -2.42 4.52 0.36 -1.68 0.04 -1.26 -3.27 135.00 131.29 1pey s PRO 105 Ca 0.37 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1pey s PRO 105 Cb -0.13 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1pey s PRO 105 CO 0.23 0.02 0.51 -0.59 0.04 0.00 0.00 177.00 177.22 1pey s PHE 106 N -0.97 3.14 -0.50 0.56 -0.12 -1.19 -5.06 117.98 113.83 1pey s PHE 106 Ca 0.47 -0.13 -0.21 0.00 -0.05 0.00 0.00 56.93 57.02 1pey s PHE 106 Cb -0.35 -2.06 0.04 0.00 -0.63 0.00 0.00 43.02 40.03 1pey s PHE 106 CO 0.44 -0.08 0.73 0.34 -0.05 0.00 0.00 175.22 176.60 1pey s ASP 107 N -4.18 6.29 0.21 1.98 -1.08 -1.26 -4.95 116.67 113.68 1pey s ASP 107 Ca 0.46 -0.59 -0.12 0.00 -0.52 0.00 0.00 52.55 51.77 1pey s ASP 107 Cb -0.10 -2.34 0.27 0.00 -1.46 0.00 0.00 42.92 39.29 1pey s ASP 107 CO 0.32 -0.97 1.64 0.40 0.52 0.00 0.00 175.17 177.08 1pey h ILE 108 N 5.92 0.41 -0.59 4.11 1.08 -2.00 -0.43 117.51 126.01 1pey h ILE 108 Ca -0.27 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1pey h ILE 108 Cb 1.09 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1pey h ILE 108 CO 0.99 0.01 0.37 0.44 -0.69 0.00 0.00 178.15 179.27 1pey h ASP 109 N 0.04 0.69 -0.31 1.72 3.32 -1.99 -1.01 116.42 118.89 1pey h ASP 109 Ca 0.32 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 1pey h ASP 109 Cb 0.51 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1pey h ASP 109 CO -0.61 0.52 0.01 -0.08 -1.72 0.00 0.00 179.24 177.36 1pey h GLU 110 N 0.81 0.54 -0.20 3.56 4.81 -1.52 -0.60 114.58 121.97 1pey h GLU 110 Ca 0.22 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1pey h GLU 110 Cb -0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1pey h GLU 110 CO -0.04 0.67 0.08 0.82 -0.73 0.00 0.00 179.01 179.80 1pey h ILE 111 N 0.34 1.16 -0.19 2.32 1.08 -1.03 -0.79 117.51 120.40 1pey h ILE 111 Ca 0.09 -0.49 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1pey h ILE 111 Cb 0.41 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1pey h ILE 111 CO 0.01 0.16 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.43 1pey h ARG 112 N 0.18 -0.09 -0.79 2.37 2.43 -1.11 -0.74 114.38 116.62 1pey h ARG 112 Ca 0.07 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1pey h ARG 112 Cb 0.18 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1pey h ARG 112 CO -0.01 -0.06 0.40 -0.44 -1.51 0.00 0.00 179.97 178.35 1pey h ASP 113 N -0.10 1.01 0.01 -3.80 3.32 -0.99 -2.43 116.42 113.45 1pey h ASP 113 Ca 0.11 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1pey h ASP 113 Cb 0.26 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pey h ASP 113 CO -0.25 0.84 -0.02 0.00 -1.72 0.00 0.00 179.24 178.09 1pey h ALA 114 N 1.21 -0.02 -0.05 3.45 0.00 -0.35 -1.76 119.26 121.74 1pey h ALA 114 Ca 0.27 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1pey h ALA 114 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pey h ALA 114 CO -0.04 -0.52 -0.44 -0.39 0.00 0.00 0.00 179.25 177.86 1pey h VAL 115 N -0.03 1.32 0.00 0.00 -1.51 -1.04 -0.67 116.25 114.32 1pey h VAL 115 Ca 0.01 -1.57 -0.06 0.00 -1.23 0.00 0.00 66.70 63.85 1pey h VAL 115 Cb 0.04 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 1pey h VAL 115 CO -0.01 0.46 -0.27 0.11 -1.23 0.00 0.00 177.57 176.62 1pey h LYS 116 N 0.10 0.00 0.03 5.19 1.57 -1.27 1.17 116.57 123.35 1pey h LYS 116 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1pey h LYS 116 Cb 0.82 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1pey h LYS 116 CO 0.06 0.27 -0.57 -0.22 -0.57 0.00 0.00 179.45 178.42 1pey h LYS 117 N 0.00 0.34 0.00 3.15 3.64 -0.66 -2.72 116.57 120.32 1pey h LYS 117 Ca -0.00 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1pey h LYS 117 Cb 0.76 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1pey h LYS 117 CO 0.04 1.10 -0.56 1.88 -2.27 0.00 0.00 179.45 179.64 1pey h TYR 118 N -0.25 0.00 -2.04 1.91 0.05 -0.91 -3.38 116.97 112.34 1pey h TYR 118 Ca -0.08 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.15 1pey h TYR 118 Cb 1.32 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.67 1pey h TYR 118 CO 0.17 0.29 -1.03 -0.11 -1.05 0.00 0.00 178.16 176.43 1pey n LEU 119 N -3.06 1.00 -4.69 3.88 7.94 0.40 -5.07 117.00 117.41 1pey n LEU 119 Ca 0.01 -4.90 -0.40 0.00 -1.11 0.00 0.00 56.01 49.61 1pey n LEU 119 Cb 0.66 0.40 0.03 0.00 0.53 0.00 0.00 43.42 45.05 1pey n LEU 119 CO 0.39 2.12 0.81 -0.81 -1.11 0.00 0.00 177.39 178.78 1pey n PRO 120 N 1.07 1.58 0.00 1.96 -0.04 -1.02 -4.51 135.00 134.04 1pey n PRO 120 Ca 0.23 0.57 0.15 0.00 -0.04 0.00 0.00 63.50 64.41 1pey n PRO 120 Cb 0.53 -2.36 0.67 0.00 -0.04 0.00 0.00 33.50 32.30 1pey n PRO 120 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35