#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsa h LEU 16 N 0.00 0.00 -0.94 -2.67 3.38 -2.00 -2.87 115.31 110.21 3hsa h LEU 16 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hsa h LEU 16 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hsa h LEU 16 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3hsa n GLY 17 N -0.54 0.88 2.30 0.83 0.00 -1.26 -0.75 105.19 106.66 3hsa n GLY 17 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hsa n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hsa n LEU 19 N 0.13 0.00 -0.20 0.99 7.94 -1.09 -2.15 117.00 122.62 3hsa n LEU 19 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hsa n LEU 19 Cb 0.15 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.34 3hsa n LEU 19 CO 0.00 0.00 1.20 0.00 -1.11 0.00 0.00 177.39 177.48 3hsa h ALA 20 N 0.00 1.43 -0.12 1.96 0.00 -1.23 -0.48 119.26 120.82 3hsa h ALA 20 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hsa h ALA 20 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hsa h ALA 20 CO 0.00 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.81 3hsa h ALA 21 N 1.51 0.16 -0.15 0.00 0.00 -1.69 -0.67 119.26 118.42 3hsa h ALA 21 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hsa h ALA 21 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hsa h ALA 21 CO -0.05 -0.28 0.05 1.49 0.00 0.00 0.00 179.25 180.46 3hsa h GLU 22 N 0.07 0.22 0.00 0.00 4.81 -1.76 -3.30 114.58 114.62 3hsa h GLU 22 Ca 0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3hsa h GLU 22 Cb 0.12 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3hsa h GLU 22 CO -0.01 0.33 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.42 3hsa h LEU 23 N 0.07 0.00 -0.97 1.64 3.38 -1.10 -3.40 115.31 114.93 3hsa h LEU 23 Ca 0.05 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.27 3hsa h LEU 23 Cb 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 3hsa h LEU 23 CO -0.00 0.12 0.53 -1.28 0.09 0.00 0.00 178.44 177.90 3hsa h SER 24 N 0.00 0.55 0.46 -0.43 0.87 -1.20 -0.84 113.55 112.96 3hsa h SER 24 Ca -0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hsa h SER 24 Cb 1.03 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3hsa h SER 24 CO 0.02 0.04 0.00 -0.65 -0.53 0.00 0.00 176.83 175.70 3hsa h PRO 25 N 0.49 0.00 -0.29 2.24 0.11 -1.83 -2.65 132.00 130.07 3hsa h PRO 25 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3hsa h PRO 25 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hsa h PRO 25 CO -0.51 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.72 3hsa n ILE 26 N -2.98 0.79 -3.28 4.15 -5.35 -0.34 -4.98 119.36 107.37 3hsa n ILE 26 Ca -0.01 -0.89 -0.32 0.00 -0.27 0.00 0.00 62.75 61.25 3hsa n ILE 26 Cb 0.17 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 38.67 3hsa n ILE 26 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hsa s LEU 27 N -1.00 4.11 0.97 7.28 1.43 -1.00 -5.08 118.68 125.40 3hsa s LEU 27 Ca 0.22 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 3hsa s LEU 27 Cb 0.12 -3.87 0.18 0.00 0.03 0.00 0.00 46.19 42.65 3hsa s LEU 27 CO 0.16 -0.14 1.09 -0.83 0.23 0.00 0.00 176.35 176.86 3hsa s GLY 28 N -2.34 1.61 0.12 -3.19 0.00 -1.26 -4.96 107.32 97.31 3hsa s GLY 28 Ca 0.51 0.07 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 3hsa s GLY 28 CO 0.20 0.60 1.66 -0.55 0.00 0.00 0.00 173.10 175.01 3hsa h ASP 29 N -1.92 0.52 0.02 1.64 3.32 -1.98 -3.01 116.42 115.01 3hsa h ASP 29 Ca -0.51 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.35 3hsa h ASP 29 Cb 1.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3hsa h ASP 29 CO 0.50 0.57 -0.10 0.59 -1.72 0.00 0.00 179.24 179.09 3hsa n ASN 30 N -4.65 1.93 -4.76 6.45 3.02 -1.26 -4.93 115.26 111.05 3hsa n ASN 30 Ca -0.01 -1.55 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 3hsa n ASN 30 Cb 0.16 0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3hsa n ASN 30 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hsa s GLU 31 N -2.13 4.51 0.09 3.52 2.12 -1.14 -5.03 118.70 120.64 3hsa s GLU 31 Ca 0.31 1.88 0.04 0.00 0.36 0.00 0.00 54.97 57.56 3hsa s GLU 31 Cb 0.20 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3hsa s GLU 31 CO 0.38 0.07 -0.12 -1.83 -0.54 0.00 0.00 175.26 173.22 3hsa s GLU 32 N -1.64 0.86 0.01 4.30 -1.05 -1.26 -4.80 118.70 115.13 3hsa s GLU 32 Ca 0.47 -1.11 -0.26 0.00 -0.15 0.00 0.00 54.97 53.91 3hsa s GLU 32 Cb -0.33 -0.66 -0.04 0.00 -0.44 0.00 0.00 34.13 32.65 3hsa s GLU 32 CO 0.43 0.12 0.82 -0.51 0.95 0.00 0.00 175.26 177.07 3hsa s LEU 33 N -2.26 4.40 -0.01 1.83 1.02 -1.26 -0.87 118.68 121.53 3hsa s LEU 33 Ca 0.04 1.46 -0.00 0.00 0.02 0.00 0.00 54.13 55.65 3hsa s LEU 33 Cb -0.05 -3.31 -0.00 0.00 0.02 0.00 0.00 46.19 42.85 3hsa s LEU 33 CO 0.01 -0.09 -0.01 0.00 0.02 0.00 0.00 176.35 176.28 3hsa n GLN 34 N 3.33 0.02 -3.80 1.70 6.02 -0.35 -4.93 117.38 119.37 3hsa n GLN 34 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 3hsa n GLN 34 Cb 0.51 -0.82 -0.08 0.00 1.02 0.00 0.00 30.24 30.86 3hsa n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hsa s LEU 35 N -5.44 1.09 -0.02 1.08 1.43 -0.86 -5.02 118.68 110.94 3hsa s LEU 35 Ca -0.01 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3hsa s LEU 35 Cb 0.00 1.12 0.00 0.00 0.03 0.00 0.00 46.19 47.35 3hsa s LEU 35 CO 0.01 -0.50 0.09 0.00 0.23 0.00 0.00 176.35 176.18 3hsa s ALA 36 N -1.91 -0.21 0.00 4.21 0.00 -1.26 -0.54 121.76 122.05 3hsa s ALA 36 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3hsa s ALA 36 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3hsa s ALA 36 CO 0.00 -0.10 0.00 0.66 0.00 0.00 0.00 175.76 176.32 3hsa n TYR 37 N 2.43 0.00 0.35 0.00 4.02 -0.05 -4.99 117.16 118.92 3hsa n TYR 37 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.58 3hsa n TYR 37 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.83 3hsa n TYR 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hsa h VAL 40 N 0.00 0.00 -0.01 -0.72 2.07 -2.00 0.15 116.25 115.74 3hsa h VAL 40 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hsa h VAL 40 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hsa h VAL 40 CO 0.00 0.00 -0.17 -2.11 0.02 0.00 0.00 177.57 175.31 3hsa n ARG 41 N -4.55 1.68 -4.46 1.57 1.85 -1.26 -5.04 116.66 106.45 3hsa n ARG 41 Ca -0.11 -0.77 -0.24 0.00 -1.00 0.00 0.00 57.85 55.73 3hsa n ARG 41 Cb 0.37 -1.14 -0.10 0.00 -1.05 0.00 0.00 32.46 30.54 3hsa n ARG 41 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hsa s ASP 42 N -1.33 3.71 -0.10 2.89 1.01 -1.26 -4.69 116.67 116.90 3hsa s ASP 42 Ca 0.10 -1.01 0.03 0.00 0.71 0.00 0.00 52.55 52.38 3hsa s ASP 42 Cb 0.09 -0.36 0.01 0.00 1.01 0.00 0.00 42.92 43.66 3hsa s ASP 42 CO 0.24 0.00 -0.21 -0.22 0.21 0.00 0.00 175.17 175.20 3hsa s LEU 43 N -3.54 1.98 -0.41 1.23 2.96 -0.12 -4.98 118.68 115.80 3hsa s LEU 43 Ca 0.31 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 3hsa s LEU 43 Cb -0.04 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.42 3hsa s LEU 43 CO 0.16 0.11 0.25 -0.36 -1.32 0.00 0.00 176.35 175.19 3hsa s PHE 44 N 0.54 3.29 -0.34 5.38 0.40 0.51 -1.16 117.98 126.60 3hsa s PHE 44 Ca -0.15 -1.28 -0.08 0.00 -0.60 0.00 0.00 56.93 54.82 3hsa s PHE 44 Cb -0.17 -2.79 0.03 0.00 0.51 0.00 0.00 43.02 40.59 3hsa s PHE 44 CO 0.05 -0.78 0.14 0.08 0.70 0.00 0.00 175.22 175.42 3hsa s VAL 45 N 1.49 4.16 -0.40 -0.44 1.01 -0.29 -0.87 120.40 125.07 3hsa s VAL 45 Ca 0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3hsa s VAL 45 Cb -0.22 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3hsa s VAL 45 CO 0.04 -0.14 0.54 -0.36 0.00 0.00 0.00 175.10 175.18 3hsa s PHE 46 N 1.49 3.14 0.58 5.22 0.40 0.30 -0.23 117.98 128.88 3hsa s PHE 46 Ca 0.01 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 3hsa s PHE 46 Cb -0.19 -3.07 0.08 0.00 0.51 0.00 0.00 43.02 40.35 3hsa s PHE 46 CO 0.04 -0.70 0.80 0.95 0.70 0.00 0.00 175.22 177.02 3hsa s THR 47 N 2.48 2.30 -1.56 0.64 -4.23 -1.26 -1.21 115.64 112.81 3hsa s THR 47 Ca 0.18 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3hsa s THR 47 Cb -0.15 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3hsa s THR 47 CO 0.15 0.00 0.12 -1.54 -0.54 0.00 0.00 174.62 172.82 3hsa n SER 48 N -2.33 0.07 -4.51 3.99 3.41 -0.04 -4.79 113.62 109.42 3hsa n SER 48 Ca 0.14 -0.32 -0.33 0.00 -0.26 0.00 0.00 58.87 58.10 3hsa n SER 48 Cb 0.61 -0.04 0.13 0.00 -0.26 0.00 0.00 64.21 64.65 3hsa n SER 48 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hsa n ARG 50 N -0.09 -0.23 -3.18 4.33 1.85 -1.26 -5.01 116.66 113.07 3hsa n ARG 50 Ca 0.00 -0.01 -0.40 0.00 -1.00 0.00 0.00 57.85 56.44 3hsa n ARG 50 Cb 0.02 -2.04 -0.06 0.00 -1.05 0.00 0.00 32.46 29.32 3hsa n ARG 50 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3hsa s LEU 51 N -2.82 4.15 -0.31 2.89 2.96 0.04 -4.53 118.68 121.06 3hsa s LEU 51 Ca 0.62 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3hsa s LEU 51 Cb -0.24 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.65 3hsa s LEU 51 CO 0.63 -0.23 0.12 -0.63 -1.32 0.00 0.00 176.35 174.92 3hsa s ILE 52 N 1.77 4.31 -0.28 6.68 1.01 0.68 0.09 121.20 135.46 3hsa s ILE 52 Ca 0.26 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 3hsa s ILE 52 Cb -0.16 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 3hsa s ILE 52 CO 0.10 0.05 0.71 -0.76 0.00 0.00 0.00 174.94 175.04 3hsa s LEU 53 N 1.56 4.09 -0.24 2.97 1.02 0.32 -1.13 118.68 127.27 3hsa s LEU 53 Ca 0.03 0.68 -0.05 0.00 0.02 0.00 0.00 54.13 54.82 3hsa s LEU 53 Cb -0.17 -2.97 -0.01 0.00 0.02 0.00 0.00 46.19 43.05 3hsa s LEU 53 CO 0.05 -0.50 0.00 -0.63 0.02 0.00 0.00 176.35 175.29 3hsa s ILE 54 N 2.73 3.69 0.00 -0.59 1.01 -0.31 -0.54 121.20 127.18 3hsa s ILE 54 Ca 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3hsa s ILE 54 Cb -0.15 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3hsa s ILE 54 CO 0.10 0.35 0.00 -0.67 0.00 0.00 0.00 174.94 174.72 3hsa n ASP 55 N 4.84 0.00 -2.52 3.58 -0.08 -0.49 -0.94 116.55 120.93 3hsa n ASP 55 Ca -0.17 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.13 3hsa n ASP 55 Cb 0.50 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.97 3hsa n ASP 55 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3hsa n GLN 57 N 0.00 0.05 0.00 -0.67 -0.06 -1.26 -2.33 117.38 113.11 3hsa n GLN 57 Ca 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 57.00 54.67 3hsa n GLN 57 Cb 0.00 0.60 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 3hsa n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hsa n GLY 58 N -0.50 1.38 0.27 1.69 0.00 -1.26 -3.98 105.19 102.79 3hsa n GLY 58 Ca 0.03 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 3hsa n GLY 58 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hsa h VAL 59 N 0.00 1.27 0.00 1.61 -1.51 -2.10 -3.42 116.25 112.10 3hsa h VAL 59 Ca 0.00 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 3hsa h VAL 59 Cb 0.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3hsa h VAL 59 CO 0.00 0.43 0.00 0.35 -1.23 0.00 0.00 177.57 177.12 3hsa n THR 60 N -4.13 0.00 -3.75 7.19 -2.24 -1.26 -5.35 114.28 104.74 3hsa n THR 60 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 3hsa n THR 60 Cb 0.41 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 3hsa n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hsa s GLY 61 N 0.00 -0.02 -0.18 3.38 0.00 -1.26 -4.80 107.32 104.45 3hsa s GLY 61 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.25 3hsa s GLY 61 CO 0.00 1.00 0.45 0.14 0.00 0.00 0.00 173.10 174.69 3hsa s VAL 64 N 1.19 -0.01 0.01 1.40 1.01 -1.26 -4.79 120.40 117.96 3hsa s VAL 64 Ca -0.09 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3hsa s VAL 64 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3hsa s VAL 64 CO -0.06 0.01 -0.24 -0.94 0.00 0.00 0.00 175.10 173.88 3hsa s SER 65 N 0.69 3.31 -0.31 3.32 1.04 -0.98 -4.94 113.70 115.82 3hsa s SER 65 Ca -0.04 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.94 3hsa s SER 65 Cb -0.05 -0.41 0.09 0.00 0.10 0.00 0.00 66.02 65.75 3hsa s SER 65 CO -0.05 0.29 0.00 -0.31 0.98 0.00 0.00 173.24 174.15 3hsa s TYR 66 N -0.75 3.43 -0.43 5.02 1.51 -1.26 -1.40 117.35 123.48 3hsa s TYR 66 Ca 0.12 -2.67 -0.16 0.00 -1.01 0.00 0.00 57.07 53.35 3hsa s TYR 66 Cb -0.10 -2.49 0.03 0.00 -0.11 0.00 0.00 41.96 39.29 3hsa s TYR 66 CO 0.01 -0.92 0.35 -1.58 -1.11 0.00 0.00 175.55 172.30 3hsa s HIS 67 N 1.03 3.23 -0.25 2.71 2.46 0.30 -4.93 115.29 119.83 3hsa s HIS 67 Ca 0.04 -0.62 -0.22 0.00 0.47 0.00 0.00 55.06 54.73 3hsa s HIS 67 Cb -0.19 -2.77 -0.01 0.00 -0.13 0.00 0.00 32.58 29.48 3hsa s HIS 67 CO -0.08 -0.66 0.70 -1.12 -2.47 0.00 0.00 174.74 171.11 3hsa s SER 68 N 1.90 6.66 -0.33 9.88 0.01 -1.26 -0.52 113.70 130.05 3hsa s SER 68 Ca 0.06 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.16 3hsa s SER 68 Cb -0.20 -2.37 0.10 0.00 0.21 0.00 0.00 66.02 63.76 3hsa s SER 68 CO 0.10 -0.43 0.05 -0.63 0.41 0.00 0.00 173.24 172.74 3hsa s ILE 69 N 2.63 1.95 0.44 1.44 1.01 0.11 -4.99 121.20 123.80 3hsa s ILE 69 Ca 0.29 -2.07 -0.25 0.00 0.00 0.00 0.00 60.65 58.62 3hsa s ILE 69 Cb -0.15 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 3hsa s ILE 69 CO 0.08 -0.57 1.28 -2.65 0.00 0.00 0.00 174.94 173.09 3hsa n PRO 70 N 4.40 1.89 -0.07 2.79 -0.02 -1.26 -0.78 135.00 141.95 3hsa n PRO 70 Ca 0.01 0.68 -0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3hsa n PRO 70 Cb 0.42 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3hsa n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hsa n TYR 71 N -0.35 0.00 0.00 6.00 4.01 -1.26 -3.84 117.16 121.72 3hsa n TYR 71 Ca 0.07 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3hsa n TYR 71 Cb 0.41 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 3hsa n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsa n ALA 73 N 2.27 0.00 -2.67 -0.72 0.00 -1.26 -4.77 120.51 113.36 3hsa n ALA 73 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3hsa n ALA 73 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3hsa n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsa s ILE 74 N 0.00 4.01 -0.14 0.00 1.01 -1.25 -0.67 121.20 124.15 3hsa s ILE 74 Ca 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 60.65 60.72 3hsa s ILE 74 Cb 0.00 -4.85 -0.15 0.00 0.01 0.00 0.00 42.46 37.46 3hsa s ILE 74 CO 0.00 -1.72 0.74 1.33 0.00 0.00 0.00 174.94 175.29 3hsa n VAL 75 N 6.24 0.76 -3.54 2.92 0.24 -0.86 -4.95 118.33 119.15 3hsa n VAL 75 Ca 0.06 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.34 61.65 3hsa n VAL 75 Cb 0.48 -0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 3hsa n VAL 75 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3hsa s HIS 76 N -3.15 -0.40 0.13 6.34 -3.43 -1.24 -5.05 115.29 108.49 3hsa s HIS 76 Ca -0.04 0.16 -0.18 0.00 -0.80 0.00 0.00 55.06 54.21 3hsa s HIS 76 Cb 0.10 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.87 3hsa s HIS 76 CO 0.83 -0.81 0.45 -0.59 -2.00 0.00 0.00 174.74 172.61 3hsa s PHE 77 N -3.55 -0.28 -0.07 0.38 -0.71 -1.26 -1.14 117.98 111.35 3hsa s PHE 77 Ca 0.05 -0.02 -0.19 0.00 -1.04 0.00 0.00 56.93 55.73 3hsa s PHE 77 Cb -0.02 0.33 0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3hsa s PHE 77 CO -0.08 -0.74 0.44 -1.14 -1.34 0.00 0.00 175.22 172.37 3hsa s GLN 78 N -3.79 0.71 -0.08 1.99 0.74 -1.26 -5.02 119.66 112.95 3hsa s GLN 78 Ca 0.03 0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.65 3hsa s GLN 78 Cb 0.01 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3hsa s GLN 78 CO -0.12 -0.18 -0.19 0.08 -0.55 0.00 0.00 175.29 174.33 3hsa s VAL 79 N -0.78 1.68 -0.06 1.34 1.01 -1.26 -4.34 120.40 117.99 3hsa s VAL 79 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3hsa s VAL 79 Cb -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3hsa s VAL 79 CO 0.04 0.47 -0.16 -0.70 0.00 0.00 0.00 175.10 174.76 3hsa s GLU 80 N 0.36 1.86 0.14 2.72 2.12 -0.47 -4.98 118.70 120.46 3hsa s GLU 80 Ca -0.14 -0.56 0.10 0.00 0.36 0.00 0.00 54.97 54.73 3hsa s GLU 80 Cb -0.16 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3hsa s GLU 80 CO 0.06 0.16 -0.21 0.95 -0.54 0.00 0.00 175.26 175.68 3hsa s THR 81 N 0.30 2.63 -0.06 -1.70 -4.23 -1.26 -0.55 115.64 110.76 3hsa s THR 81 Ca -0.09 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3hsa s THR 81 Cb -0.14 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3hsa s THR 81 CO 0.03 0.03 -0.11 0.00 -0.54 0.00 0.00 174.62 174.03 3hsa s ALA 82 N -1.29 1.14 0.00 3.99 0.00 -0.45 -4.97 121.76 120.18 3hsa s ALA 82 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3hsa s ALA 82 Cb -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3hsa s ALA 82 CO 0.10 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3hsa n GLY 83 N 3.78 0.64 0.33 0.00 0.00 -1.26 -2.26 105.19 106.42 3hsa n GLY 83 Ca -0.23 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 3hsa n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hsa n THR 84 N 0.63 1.23 -4.51 2.61 -1.04 -1.26 -4.95 114.28 106.98 3hsa n THR 84 Ca 0.00 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 3hsa n THR 84 Cb 0.00 -1.85 -0.10 0.00 -1.82 0.00 0.00 70.33 66.56 3hsa n THR 84 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3hsa s PHE 85 N -2.44 3.02 0.10 -1.42 0.08 -1.26 -5.10 117.98 110.97 3hsa s PHE 85 Ca -0.29 0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3hsa s PHE 85 Cb 0.11 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3hsa s PHE 85 CO 0.38 0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 172.42 3hsa n ASP 86 N 2.12 -5.49 -4.32 1.36 2.03 -1.26 -5.15 116.55 105.84 3hsa n ASP 86 Ca -0.18 1.31 -0.25 0.00 0.52 0.00 0.00 54.79 56.19 3hsa n ASP 86 Cb 0.53 -3.71 -0.13 0.00 -0.72 0.00 0.00 41.12 37.10 3hsa n ASP 86 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3hsa s ASP 88 N -0.32 2.76 -0.06 1.67 1.01 -0.96 -5.00 116.67 115.77 3hsa s ASP 88 Ca 0.00 -0.70 -0.05 0.00 0.71 0.00 0.00 52.55 52.51 3hsa s ASP 88 Cb 0.00 -0.16 0.02 0.00 1.01 0.00 0.00 42.92 43.79 3hsa s ASP 88 CO 0.00 0.09 0.15 0.00 0.21 0.00 0.00 175.17 175.62 3hsa s ALA 89 N -1.13 -0.34 -0.03 5.23 0.00 -1.26 -1.34 121.76 122.89 3hsa s ALA 89 Ca 0.09 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3hsa s ALA 89 Cb -0.10 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3hsa s ALA 89 CO 0.05 -0.09 -0.04 -2.00 0.00 0.00 0.00 175.76 173.69 3hsa s GLU 90 N 0.28 0.59 0.27 0.00 2.12 0.28 -0.48 118.70 121.76 3hsa s GLU 90 Ca -0.02 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.26 3hsa s GLU 90 Cb -0.03 -0.63 0.05 0.00 0.26 0.00 0.00 34.13 33.78 3hsa s GLU 90 CO -0.01 -0.03 0.37 -0.11 -0.54 0.00 0.00 175.26 174.93 3hsa n LEU 91 N 3.74 0.00 0.00 2.70 7.94 -1.26 -1.36 117.00 128.75 3hsa n LEU 91 Ca -0.22 -1.10 0.00 0.00 -1.11 0.00 0.00 56.01 53.58 3hsa n LEU 91 Cb 0.53 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.28 3hsa n LEU 91 CO 0.24 -0.61 0.00 0.18 -1.11 0.00 0.00 177.39 176.09 3hsa n LEU 93 N 0.00 0.00 -4.68 -1.96 4.77 -0.40 -4.19 117.00 110.54 3hsa n LEU 93 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.68 3hsa n LEU 93 Cb 0.27 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 3hsa n LEU 93 CO 0.17 0.00 0.03 0.26 -1.33 0.00 0.00 177.39 176.52 3hsa s TRP 94 N 0.00 3.38 -0.18 -1.77 0.51 -0.29 -0.09 118.94 120.49 3hsa s TRP 94 Ca 0.00 0.54 -0.09 0.00 -2.12 0.00 0.00 56.10 54.44 3hsa s TRP 94 Cb 0.00 -2.45 -0.05 0.00 -0.81 0.00 0.00 33.47 30.17 3hsa s TRP 94 CO 0.00 0.05 0.11 0.42 -0.51 0.00 0.00 176.95 177.02 3hsa s ILE 95 N 1.11 5.23 0.10 2.03 -1.09 -1.26 -2.02 121.20 125.29 3hsa s ILE 95 Ca 0.17 0.12 -0.36 0.00 -2.23 0.00 0.00 60.65 58.35 3hsa s ILE 95 Cb -0.14 -3.36 -0.17 0.00 -1.58 0.00 0.00 42.46 37.21 3hsa s ILE 95 CO 0.07 0.47 1.18 -0.24 -1.23 0.00 0.00 174.94 175.19 3hsa n SER 96 N 3.28 1.00 0.00 3.58 2.88 0.15 -1.56 113.62 122.94 3hsa n SER 96 Ca -0.17 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3hsa n SER 96 Cb 0.52 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 3hsa n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsa n GLY 97 N 2.10 1.85 3.46 0.46 0.00 -1.26 -5.03 105.19 106.78 3hsa n GLY 97 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3hsa n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hsa s GLN 98 N -0.38 3.67 0.21 1.61 -1.52 -0.60 -5.02 119.66 117.62 3hsa s GLN 98 Ca 0.00 -0.49 -0.04 0.00 -1.95 0.00 0.00 55.36 52.88 3hsa s GLN 98 Cb 0.00 -3.20 0.18 0.00 -0.22 0.00 0.00 33.01 29.77 3hsa s GLN 98 CO 0.00 -0.05 1.61 1.25 -0.25 0.00 0.00 175.29 177.85 3hsa h HIS 99 N 7.74 0.85 -3.25 0.91 -0.00 -1.96 -3.42 115.15 116.02 3hsa h HIS 99 Ca -0.37 -0.21 -0.57 0.00 -0.00 0.00 0.00 60.37 59.22 3hsa h HIS 99 Cb 1.18 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 28.34 3hsa h HIS 99 CO 0.62 0.93 -0.05 -1.21 -0.00 0.00 0.00 177.93 178.23 3hsa s GLU 100 N -4.51 4.15 0.55 5.26 0.41 -1.26 -5.07 118.70 118.23 3hsa s GLU 100 Ca -0.09 0.69 -0.13 0.00 -0.41 0.00 0.00 54.97 55.03 3hsa s GLU 100 Cb 0.13 -3.17 -0.06 0.00 -1.78 0.00 0.00 34.13 29.24 3hsa s GLU 100 CO 0.84 0.61 0.98 -1.25 -0.49 0.00 0.00 175.26 175.94 3hsa s PRO 101 N -1.28 3.75 0.29 0.39 0.04 -1.26 -4.71 135.00 132.22 3hsa s PRO 101 Ca 0.31 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 3hsa s PRO 101 Cb -0.19 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 3hsa s PRO 101 CO 0.19 -0.39 1.29 -0.51 0.04 0.00 0.00 177.00 177.62 3hsa s LEU 102 N -4.60 4.44 0.34 -3.56 1.43 0.87 -4.85 118.68 112.75 3hsa s LEU 102 Ca 0.56 2.56 0.04 0.00 -1.03 0.00 0.00 54.13 56.26 3hsa s LEU 102 Cb -0.10 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 3hsa s LEU 102 CO 0.42 -0.49 0.05 -0.69 0.23 0.00 0.00 176.35 175.87 3hsa s VAL 103 N -0.74 1.32 -0.04 -1.59 1.01 -1.26 -1.28 120.40 117.82 3hsa s VAL 103 Ca 0.51 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.56 3hsa s VAL 103 Cb -0.38 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3hsa s VAL 103 CO 0.47 0.00 -0.25 -1.61 0.00 0.00 0.00 175.10 173.70 3hsa s GLU 105 N -3.86 2.38 -0.27 2.72 2.02 -1.26 -5.00 118.70 115.43 3hsa s GLU 105 Ca 0.36 -0.92 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 3hsa s GLU 105 Cb 0.09 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 3hsa s GLU 105 CO 0.16 0.45 0.17 -0.51 0.02 0.00 0.00 175.26 175.55 3hsa s LEU 106 N -0.34 3.97 -1.15 1.80 1.43 0.37 -4.60 118.68 120.17 3hsa s LEU 106 Ca 0.02 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 3hsa s LEU 106 Cb -0.12 -2.10 0.25 0.00 0.03 0.00 0.00 46.19 44.25 3hsa s LEU 106 CO 0.02 -0.03 1.26 0.54 0.23 0.00 0.00 176.35 178.37 3hsa n ARG 108 N 4.93 3.58 0.00 1.70 1.74 -1.26 -4.35 116.66 123.00 3hsa n ARG 108 Ca -0.14 -4.27 0.00 0.00 -0.77 0.00 0.00 57.85 52.66 3hsa n ARG 108 Cb 0.52 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 3hsa n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hsa n GLY 109 N 2.95 0.29 3.91 -0.13 0.00 -1.26 -5.16 105.19 105.78 3hsa n GLY 109 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 3hsa n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsa s THR 110 N 0.00 5.19 -0.97 2.61 2.01 -1.26 -5.02 115.64 118.20 3hsa s THR 110 Ca 0.00 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 3hsa s THR 110 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.89 3hsa s THR 110 CO 0.00 -0.02 1.52 -0.62 -0.69 0.00 0.00 174.62 174.81 3hsa s ASP 111 N -2.66 6.24 0.13 3.53 2.15 -1.26 -4.85 116.67 119.94 3hsa s ASP 111 Ca 0.40 -1.20 -0.17 0.00 0.43 0.00 0.00 52.55 52.01 3hsa s ASP 111 Cb -0.12 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 3hsa s ASP 111 CO 0.26 -1.75 1.69 0.58 -0.17 0.00 0.00 175.17 175.78 3hsa h VAL 112 N 6.79 1.17 0.14 1.11 2.07 -1.95 -2.65 116.25 122.94 3hsa h VAL 112 Ca 0.13 -0.51 -0.25 0.00 0.82 0.00 0.00 66.70 66.89 3hsa h VAL 112 Cb 1.02 0.87 0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3hsa h VAL 112 CO 1.38 0.18 -1.05 0.58 0.02 0.00 0.00 177.57 178.68 3hsa h VAL 113 N 0.42 1.38 -0.36 2.57 2.07 -2.00 -3.23 116.25 117.10 3hsa h VAL 113 Ca 0.12 -2.48 0.02 0.00 0.82 0.00 0.00 66.70 65.19 3hsa h VAL 113 Cb 0.15 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3hsa h VAL 113 CO -0.01 0.73 0.18 1.23 0.02 0.00 0.00 177.57 179.72 3hsa h GLY 114 N -0.03 0.49 1.36 2.17 0.00 -1.97 -2.66 103.07 102.43 3hsa h GLY 114 Ca -0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3hsa h GLY 114 CO 0.20 0.10 0.07 1.19 0.00 0.00 0.00 176.54 178.10 3hsa h ILE 115 N 0.38 1.23 0.00 2.60 6.09 -1.60 0.43 117.51 126.63 3hsa h ILE 115 Ca 0.15 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 3hsa h ILE 115 Cb 0.06 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.12 3hsa h ILE 115 CO -0.10 0.32 0.00 0.00 -3.07 0.00 0.00 178.15 175.30 3hsa n GLN 116 N -4.25 0.28 0.00 2.19 6.02 -1.00 -0.83 117.38 119.79 3hsa n GLN 116 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3hsa n GLN 116 Cb 0.26 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3hsa n GLN 116 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hsa n THR 118 N 0.59 0.00 -0.14 5.09 -1.04 0.14 -1.34 114.28 117.57 3hsa n THR 118 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3hsa n THR 118 Cb 0.10 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.66 3hsa n THR 118 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hsa h ILE 119 N 0.00 0.77 -0.43 12.58 2.04 -1.23 -1.54 117.51 129.70 3hsa h ILE 119 Ca 0.00 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3hsa h ILE 119 Cb 0.00 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3hsa h ILE 119 CO 0.00 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.31 3hsa h ALA 120 N 1.34 0.48 -0.68 1.87 0.00 -1.46 0.17 119.26 120.99 3hsa h ALA 120 Ca 0.22 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3hsa h ALA 120 Cb 0.28 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3hsa h ALA 120 CO -0.28 -0.29 0.38 -0.09 0.00 0.00 0.00 179.25 178.97 3hsa h ARG 121 N 0.26 0.67 0.09 0.00 2.43 -1.60 -1.50 114.38 114.71 3hsa h ARG 121 Ca 0.20 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.03 3hsa h ARG 121 Cb 0.23 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hsa h ARG 121 CO -0.24 0.44 -1.64 1.88 -1.51 0.00 0.00 179.97 178.90 3hsa h TYR 122 N 0.69 0.33 0.01 2.20 0.05 -1.03 -2.72 116.97 116.49 3hsa h TYR 122 Ca 0.31 -0.24 -0.19 0.00 0.05 0.00 0.00 58.73 58.66 3hsa h TYR 122 Cb 0.22 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3hsa h TYR 122 CO -0.08 1.35 -0.87 0.00 -1.05 0.00 0.00 178.16 177.51 3hsa h ALA 123 N 0.55 0.54 0.00 3.88 0.00 -0.95 -3.24 119.26 120.04 3hsa h ALA 123 Ca -0.28 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 3hsa h ALA 123 Cb 2.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3hsa h ALA 123 CO 0.13 0.95 -1.29 1.28 0.00 0.00 0.00 179.25 180.32 3hsa n LEU 124 N -3.62 0.67 0.00 0.00 4.77 -0.57 -5.03 117.00 113.22 3hsa n LEU 124 Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3hsa n LEU 124 Cb 0.81 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3hsa n LEU 124 CO 0.47 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05