#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye n SER 2 N 0.00 4.84 -0.61 2.89 2.88 -1.26 -4.85 113.62 117.51 1cye n SER 2 Ca 0.00 -2.95 0.47 0.00 -1.33 0.00 0.00 58.87 55.06 1cye n SER 2 Cb 0.00 -1.64 0.73 0.00 -0.75 0.00 0.00 64.21 62.55 1cye n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1cye n ASP 3 N 6.53 0.04 0.11 -3.46 2.03 -1.26 -1.38 116.55 119.16 1cye n ASP 3 Ca 0.45 0.99 0.20 0.00 0.52 0.00 0.00 54.79 56.94 1cye n ASP 3 Cb 0.42 -0.49 0.76 0.00 -0.72 0.00 0.00 41.12 41.09 1cye n ASP 3 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1cye h LYS 4 N 0.00 0.00 0.00 -0.67 2.10 -1.91 -2.80 116.57 113.28 1cye h LYS 4 Ca 0.86 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.51 1cye h LYS 4 Cb 3.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.64 1cye h LYS 4 CO -0.09 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 176.51 1cye n GLU 5 N -3.80 0.34 -2.33 0.07 0.28 -0.48 -4.71 120.64 110.01 1cye n GLU 5 Ca 0.06 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.68 1cye n GLU 5 Cb 0.55 -1.05 -0.03 0.00 1.43 0.00 0.00 31.44 32.34 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cye s LEU 6 N -1.10 3.26 -0.44 -1.84 0.20 -1.06 -4.86 118.68 112.84 1cye s LEU 6 Ca 0.02 -0.40 -0.29 0.00 0.69 0.00 0.00 54.13 54.14 1cye s LEU 6 Cb 0.01 -2.55 0.03 0.00 -0.43 0.00 0.00 46.19 43.24 1cye s LEU 6 CO 0.01 -2.07 1.15 -0.75 -0.29 0.00 0.00 176.35 174.41 1cye s LYS 7 N 6.18 3.78 -0.03 1.98 2.20 -1.26 -4.55 119.74 128.04 1cye s LYS 7 Ca 0.51 0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 56.65 1cye s LYS 7 Cb -0.08 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 1cye s LYS 7 CO 0.11 -1.31 0.45 -0.06 -0.36 0.00 0.00 175.35 174.18 1cye s PHE 8 N 4.39 3.67 -0.39 4.03 0.40 -0.39 -1.04 117.98 128.65 1cye s PHE 8 Ca 0.49 1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 57.77 1cye s PHE 8 Cb -0.09 -2.41 0.08 0.00 0.51 0.00 0.00 43.02 41.12 1cye s PHE 8 CO 0.29 0.48 0.18 -1.17 0.70 0.00 0.00 175.22 175.69 1cye s LEU 9 N -0.51 4.91 -0.81 -0.37 0.20 -0.44 0.02 118.68 121.68 1cye s LEU 9 Ca 0.25 -1.67 -0.26 0.00 0.69 0.00 0.00 54.13 53.15 1cye s LEU 9 Cb -0.17 -1.86 0.04 0.00 -0.43 0.00 0.00 46.19 43.77 1cye s LEU 9 CO 0.13 -0.48 1.31 -0.69 -0.29 0.00 0.00 176.35 176.34 1cye s VAL 10 N 1.27 3.79 -0.97 1.68 1.01 0.24 -1.46 120.40 125.96 1cye s VAL 10 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1cye s VAL 10 Cb -0.22 -4.95 0.25 0.00 0.00 0.00 0.00 36.38 31.46 1cye s VAL 10 CO -0.01 -1.87 0.93 -0.69 0.00 0.00 0.00 175.10 173.46 1cye s VAL 11 N 5.49 5.68 -0.08 2.92 1.01 0.53 -0.88 120.40 135.07 1cye s VAL 11 Ca 0.37 -3.05 -0.01 0.00 0.00 0.00 0.00 61.98 59.30 1cye s VAL 11 Cb -0.06 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.89 1cye s VAL 11 CO 0.09 -1.11 -0.02 -0.62 0.00 0.00 0.00 175.10 173.44 1cye s ASP 12 N 1.55 1.66 0.55 3.32 -1.08 -0.35 -0.85 116.67 121.47 1cye s ASP 12 Ca 0.25 -0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.40 1cye s ASP 12 Cb -0.10 -0.54 1.47 0.00 -1.46 0.00 0.00 42.92 42.29 1cye s ASP 12 CO -0.08 -0.16 2.01 -2.24 0.52 0.00 0.00 175.17 175.21 1cye h ASP 13 N 8.16 0.00 -3.78 -0.34 2.03 -1.78 -3.40 116.42 117.30 1cye h ASP 13 Ca -0.24 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.43 1cye h ASP 13 Cb 1.13 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.47 1cye h ASP 13 CO 0.32 0.00 -0.34 0.12 -1.03 0.00 0.00 179.24 178.31 1cye s PHE 14 N -4.86 3.23 0.17 4.15 5.36 -1.26 -4.99 117.98 119.79 1cye s PHE 14 Ca -0.05 0.28 -0.18 0.00 -0.96 0.00 0.00 56.93 56.03 1cye s PHE 14 Cb 0.18 -2.51 0.12 0.00 -0.34 0.00 0.00 43.02 40.47 1cye s PHE 14 CO 0.65 -0.22 1.64 0.66 -1.46 0.00 0.00 175.22 176.50 1cye h SER 15 N 8.26 -0.56 -0.58 6.13 4.64 -2.00 -0.36 113.55 129.08 1cye h SER 15 Ca -0.33 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1cye h SER 15 Cb 1.17 0.33 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 1cye h SER 15 CO 0.61 -0.19 0.34 0.71 -0.87 0.00 0.00 176.83 177.43 1cye h THR 16 N -0.07 1.18 -0.77 2.95 1.35 -1.94 -1.92 112.91 113.69 1cye h THR 16 Ca 0.21 -0.42 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 1cye h THR 16 Cb 0.39 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.18 1cye h THR 16 CO -0.48 0.19 0.35 -0.03 -0.25 0.00 0.00 175.52 175.30 1cye h MET 17 N 0.79 1.12 -0.26 4.72 -1.53 -1.77 -1.43 114.93 116.57 1cye h MET 17 Ca 0.21 -0.18 0.04 0.00 -3.44 0.00 0.00 59.70 56.33 1cye h MET 17 Cb 0.01 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 30.82 1cye h MET 17 CO -0.04 0.88 0.01 0.00 0.14 0.00 0.00 176.91 177.90 1cye h ARG 18 N 1.09 0.08 -0.67 0.39 3.08 -0.60 -2.45 114.38 115.31 1cye h ARG 18 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1cye h ARG 18 Cb 0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1cye h ARG 18 CO -0.03 0.05 0.44 0.00 -1.07 0.00 0.00 179.97 179.36 1cye h ARG 19 N 0.09 0.89 -0.16 0.04 3.08 -0.95 -2.16 114.38 115.21 1cye h ARG 19 Ca 0.12 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1cye h ARG 19 Cb 0.15 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1cye h ARG 19 CO -0.20 0.60 -0.07 0.82 -1.07 0.00 0.00 179.97 180.05 1cye h ILE 20 N 0.91 0.77 -0.70 2.04 2.04 -0.90 -2.48 117.51 119.20 1cye h ILE 20 Ca 0.24 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.11 1cye h ILE 20 Cb -0.09 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1cye h ILE 20 CO -0.05 0.00 0.46 0.58 0.00 0.00 0.00 178.15 179.14 1cye h VAL 21 N -0.05 1.17 -0.28 1.67 2.07 -1.06 -2.46 116.25 117.32 1cye h VAL 21 Ca 0.08 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1cye h VAL 21 Cb 0.17 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1cye h VAL 21 CO -0.19 0.17 -0.19 -0.09 0.02 0.00 0.00 177.57 177.30 1cye h ARG 22 N 0.93 -0.16 -0.93 1.57 2.43 -0.97 -1.31 114.38 115.94 1cye h ARG 22 Ca 0.26 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1cye h ARG 22 Cb -0.10 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1cye h ARG 22 CO -0.06 -0.11 0.60 -0.91 -1.51 0.00 0.00 179.97 177.98 1cye h ASN 23 N -0.16 0.97 0.21 -3.80 2.35 -1.04 -1.31 115.58 112.79 1cye h ASN 23 Ca 0.15 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1cye h ASN 23 Cb 0.39 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1cye h ASN 23 CO -0.38 0.63 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.87 1cye h LEU 24 N 1.11 -0.23 -0.81 1.61 3.38 -0.96 -0.61 115.31 118.79 1cye h LEU 24 Ca 0.39 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.41 1cye h LEU 24 Cb 0.11 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1cye h LEU 24 CO -0.16 -0.17 0.52 -0.07 0.09 0.00 0.00 178.44 178.66 1cye h LEU 25 N -0.28 0.85 -0.29 1.67 3.38 -0.91 -2.15 115.31 117.60 1cye h LEU 25 Ca -0.03 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cye h LEU 25 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1cye h LEU 25 CO 0.05 0.58 0.16 0.50 0.09 0.00 0.00 178.44 179.82 1cye h LYS 26 N 1.00 0.32 -0.98 1.13 1.63 -0.96 -0.51 116.57 118.21 1cye h LYS 26 Ca 0.33 -0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.22 1cye h LYS 26 Cb 0.02 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.50 1cye h LYS 26 CO -0.12 0.21 0.62 1.49 -3.45 0.00 0.00 179.45 178.20 1cye h GLU 27 N 0.33 0.94 0.00 1.90 4.57 -0.62 -0.80 114.58 120.90 1cye h GLU 27 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1cye h GLU 27 Cb 0.01 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1cye h GLU 27 CO -0.06 0.62 0.00 -0.07 -1.18 0.00 0.00 179.01 178.32 1cye h LEU 28 N 0.97 0.00 0.00 1.64 3.38 -0.83 -3.47 115.31 117.00 1cye h LEU 28 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1cye h LEU 28 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cye h LEU 28 CO -0.24 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1cye n GLY 29 N 0.39 1.10 3.14 0.83 0.00 -0.30 -5.07 105.19 105.27 1cye n GLY 29 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1cye n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cye s PHE 30 N -2.00 3.49 0.34 1.61 0.08 -0.25 -4.92 117.98 116.32 1cye s PHE 30 Ca 0.00 -2.61 0.14 0.00 0.12 0.00 0.00 56.93 54.58 1cye s PHE 30 Cb 0.00 -3.31 0.72 0.00 -0.57 0.00 0.00 43.02 39.86 1cye s PHE 30 CO 0.00 -0.86 1.80 -0.91 -0.10 0.00 0.00 175.22 175.15 1cye h ASN 31 N 7.08 0.00 -1.80 1.36 4.21 -1.84 -3.18 115.58 121.42 1cye h ASN 31 Ca 0.02 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.90 1cye h ASN 31 Cb 0.96 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.03 1cye h ASN 31 CO 0.72 0.39 1.15 0.54 -1.29 0.00 0.00 177.43 178.94 1cye s ASN 32 N -6.80 6.51 -0.06 5.81 4.22 -1.26 -4.97 114.94 118.39 1cye s ASN 32 Ca -0.02 -1.58 0.00 0.00 -2.14 0.00 0.00 52.86 49.12 1cye s ASN 32 Cb 0.14 -2.49 0.02 0.00 1.28 0.00 0.00 41.25 40.20 1cye s ASN 32 CO 0.72 -1.35 -0.04 -0.69 -2.04 0.00 0.00 177.10 173.69 1cye s VAL 33 N 4.08 0.57 0.16 3.54 1.01 -1.26 -1.27 120.40 127.23 1cye s VAL 33 Ca 0.38 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1cye s VAL 33 Cb -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1cye s VAL 33 CO -0.07 0.26 0.00 -0.70 0.00 0.00 0.00 175.10 174.59 1cye s GLU 34 N 1.28 2.44 -0.11 2.72 2.12 0.10 -4.96 118.70 122.31 1cye s GLU 34 Ca -0.05 -1.04 0.01 0.00 0.36 0.00 0.00 54.97 54.25 1cye s GLU 34 Cb -0.14 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.87 1cye s GLU 34 CO -0.02 0.47 -0.14 -1.21 -0.54 0.00 0.00 175.26 173.82 1cye s GLU 35 N -2.80 2.11 0.18 4.30 2.02 -1.26 -0.59 118.70 122.65 1cye s GLU 35 Ca 0.27 -0.52 0.11 0.00 0.02 0.00 0.00 54.97 54.86 1cye s GLU 35 Cb -0.10 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1cye s GLU 35 CO 0.19 -0.09 -0.24 0.00 0.02 0.00 0.00 175.26 175.14 1cye s ALA 36 N 1.07 2.47 -1.46 5.21 0.00 -0.06 -4.96 121.76 124.04 1cye s ALA 36 Ca -0.05 -1.61 0.15 0.00 0.00 0.00 0.00 51.96 50.45 1cye s ALA 36 Cb -0.15 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1cye s ALA 36 CO -0.03 0.42 0.84 -0.85 0.00 0.00 0.00 175.76 176.15 1cye n GLU 37 N 0.33 1.67 -3.51 0.00 -0.00 -1.26 -1.21 120.64 116.66 1cye n GLU 37 Ca -0.13 -0.87 -0.10 0.00 -0.00 0.00 0.00 57.16 56.06 1cye n GLU 37 Cb 0.56 -1.25 -0.03 0.00 -0.00 0.00 0.00 31.44 30.72 1cye n GLU 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1cye s ASP 38 N -1.72 -0.42 0.23 -1.84 2.15 -1.26 -3.18 116.67 110.62 1cye s ASP 38 Ca 0.13 0.13 -0.17 0.00 0.43 0.00 0.00 52.55 53.08 1cye s ASP 38 Cb 0.12 0.41 0.26 0.00 -0.30 0.00 0.00 42.92 43.41 1cye s ASP 38 CO 0.35 -0.62 1.54 0.61 -0.17 0.00 0.00 175.17 176.88 1cye n GLY 39 N 0.01 -2.02 0.20 2.66 0.00 -0.79 -1.10 105.19 104.16 1cye n GLY 39 Ca -0.11 1.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.89 1cye n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cye h VAL 40 N 0.00 0.65 -0.94 1.61 2.07 -1.95 -0.95 116.25 116.74 1cye h VAL 40 Ca 0.36 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.98 1cye h VAL 40 Cb 0.61 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1cye h VAL 40 CO -0.99 0.00 0.60 -0.78 0.02 0.00 0.00 177.57 176.42 1cye h ASP 41 N -0.35 0.86 0.79 0.57 3.58 -1.71 -1.60 116.42 118.56 1cye h ASP 41 Ca 0.00 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1cye h ASP 41 Cb 0.33 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.24 1cye h ASP 41 CO -0.04 0.50 -0.38 0.00 -2.88 0.00 0.00 179.24 176.44 1cye h ALA 42 N 1.54 -1.06 -1.00 -0.78 0.00 -0.64 -1.46 119.26 115.86 1cye h ALA 42 Ca 0.44 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.30 1cye h ALA 42 Cb 0.41 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1cye h ALA 42 CO -0.20 -1.04 0.61 1.25 0.00 0.00 0.00 179.25 179.87 1cye h LEU 43 N -1.16 0.75 0.48 0.00 5.85 -0.22 0.44 115.31 121.45 1cye h LEU 43 Ca -0.11 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1cye h LEU 43 Cb 0.82 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1cye h LEU 43 CO 0.18 0.26 -0.23 0.78 -0.34 0.00 0.00 178.44 179.09 1cye h ASN 44 N 0.73 -0.55 -0.88 1.25 -0.26 -1.34 -3.30 115.58 111.23 1cye h ASN 44 Ca 0.57 0.02 0.11 0.00 -0.56 0.00 0.00 56.30 56.44 1cye h ASN 44 Cb 0.94 0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 38.28 1cye h ASN 44 CO -0.37 -0.34 0.57 0.11 -1.06 0.00 0.00 177.43 176.34 1cye h LYS 45 N -0.75 0.78 -0.32 0.81 1.57 -0.36 -2.93 116.57 115.37 1cye h LYS 45 Ca -0.07 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1cye h LYS 45 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1cye h LYS 45 CO 0.11 0.52 0.35 1.25 -0.57 0.00 0.00 179.45 181.10 1cye h LEU 46 N 0.81 0.00 0.00 2.94 5.85 -0.23 0.14 115.31 124.81 1cye h LEU 46 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1cye h LEU 46 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1cye h LEU 46 CO -0.18 0.00 -0.97 0.00 -0.34 0.00 0.00 178.44 176.94 1cye n GLN 47 N -3.77 0.48 -1.77 1.25 1.13 -1.10 -4.40 117.38 109.19 1cye n GLN 47 Ca 0.05 0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 1cye n GLN 47 Cb 0.50 -1.73 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 1cye n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cye n ALA 48 N -2.04 5.62 0.00 -1.58 0.00 0.04 -4.34 120.51 118.22 1cye n ALA 48 Ca 0.01 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.54 1cye n ALA 48 Cb 0.50 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1cye n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 49 N 3.94 0.65 1.37 0.00 0.00 -1.26 -4.93 105.19 104.95 1cye n GLY 49 Ca 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1cye n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cye n GLY 50 N 0.00 0.00 3.70 -0.02 0.00 -1.26 -4.93 105.19 102.68 1cye n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cye n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cye s TYR 51 N -0.57 3.54 -1.77 1.61 1.51 -1.26 -4.33 117.35 116.09 1cye s TYR 51 Ca 0.00 1.38 0.19 0.00 -1.01 0.00 0.00 57.07 57.63 1cye s TYR 51 Cb 0.00 -2.97 0.47 0.00 -0.11 0.00 0.00 41.96 39.35 1cye s TYR 51 CO 0.00 -0.06 1.39 0.41 -1.11 0.00 0.00 175.55 176.18 1cye n GLY 52 N 3.17 2.22 3.60 0.71 0.00 -0.21 -4.93 105.19 109.76 1cye n GLY 52 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1cye n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cye s PHE 53 N -1.11 -0.49 -0.23 1.61 2.19 -1.04 -4.62 117.98 114.29 1cye s PHE 53 Ca 0.37 1.05 0.01 0.00 0.33 0.00 0.00 56.93 58.70 1cye s PHE 53 Cb 0.20 0.39 0.06 0.00 -1.31 0.00 0.00 43.02 42.36 1cye s PHE 53 CO 0.27 -0.32 -0.08 0.08 1.83 0.00 0.00 175.22 177.00 1cye s VAL 54 N -0.37 1.73 -0.43 3.12 1.01 -0.29 -1.33 120.40 123.84 1cye s VAL 54 Ca -0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1cye s VAL 54 Cb -0.03 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.55 1cye s VAL 54 CO -0.01 -0.03 0.20 -0.51 0.00 0.00 0.00 175.10 174.75 1cye s ILE 55 N 1.31 3.07 0.01 2.22 2.07 -0.53 -0.17 121.20 129.18 1cye s ILE 55 Ca -0.06 -2.33 0.08 0.00 -1.41 0.00 0.00 60.65 56.93 1cye s ILE 55 Cb -0.19 -3.12 -0.02 0.00 0.13 0.00 0.00 42.46 39.26 1cye s ILE 55 CO -0.06 -0.70 -0.25 -0.55 -1.91 0.00 0.00 174.94 171.46 1cye s SER 56 N 1.32 2.99 0.06 4.50 0.15 0.18 -0.35 113.70 122.56 1cye s SER 56 Ca 0.11 -0.51 -0.31 0.00 0.70 0.00 0.00 55.95 55.94 1cye s SER 56 Cb -0.22 -0.30 -0.06 0.00 -1.71 0.00 0.00 66.02 63.73 1cye s SER 56 CO -0.05 0.28 1.28 -0.62 1.20 0.00 0.00 173.24 175.33 1cye s ASP 57 N -0.89 6.98 0.32 5.45 -1.08 -0.03 0.10 116.67 127.52 1cye s ASP 57 Ca 0.10 2.10 0.06 0.00 -0.52 0.00 0.00 52.55 54.29 1cye s ASP 57 Cb -0.10 -2.58 0.71 0.00 -1.46 0.00 0.00 42.92 39.49 1cye s ASP 57 CO 0.00 -0.56 1.84 -0.25 0.52 0.00 0.00 175.17 176.73 1cye h TRP 58 N 6.95 0.99 -3.55 -5.34 2.91 -1.09 -2.65 115.95 114.16 1cye h TRP 58 Ca -0.41 0.03 -0.71 0.00 1.13 0.00 0.00 58.89 58.93 1cye h TRP 58 Cb 1.21 -0.31 -0.26 0.00 -0.51 0.00 0.00 29.16 29.29 1cye h TRP 58 CO 0.68 0.35 -0.51 1.21 -1.03 0.00 0.00 178.44 179.14 1cye s ASN 59 N -5.67 5.67 -0.03 2.65 2.47 -1.26 -0.58 114.94 118.18 1cye s ASN 59 Ca -0.11 -1.17 -0.01 0.00 0.42 0.00 0.00 52.86 51.99 1cye s ASN 59 Cb 0.23 -2.00 0.03 0.00 -1.45 0.00 0.00 41.25 38.06 1cye s ASN 59 CO 0.80 -0.43 0.04 -0.04 -3.72 0.00 0.00 177.10 173.75 1cye s MET 60 N 1.50 -0.01 -0.05 0.43 -1.94 -1.26 -4.63 119.30 113.34 1cye s MET 60 Ca 0.02 0.24 -0.30 0.00 -1.71 0.00 0.00 55.69 53.94 1cye s MET 60 Cb -0.20 -0.37 -0.07 0.00 2.01 0.00 0.00 34.83 36.20 1cye s MET 60 CO 0.05 -0.22 1.84 -1.25 -0.01 0.00 0.00 175.02 175.42 1cye s PRO 61 N 1.46 4.02 0.00 2.03 0.04 -1.26 -2.71 135.00 138.58 1cye s PRO 61 Ca -0.04 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1cye s PRO 61 Cb -0.13 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1cye s PRO 61 CO -0.03 -1.06 0.00 0.09 0.04 0.00 0.00 177.00 176.04 1cye n ASN 62 N 7.89 0.00 -4.11 6.66 3.02 -1.26 -4.84 115.26 122.63 1cye n ASN 62 Ca 0.20 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 1cye n ASN 62 Cb 0.43 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1cye s MET 63 N 0.00 2.39 0.99 3.52 1.75 -1.25 -5.04 119.30 121.66 1cye s MET 63 Ca 0.00 -2.27 -0.11 0.00 -1.25 0.00 0.00 55.69 52.06 1cye s MET 63 Cb 0.00 -3.70 0.18 0.00 2.84 0.00 0.00 34.83 34.15 1cye s MET 63 CO 0.00 -1.14 1.09 -0.40 -0.65 0.00 0.00 175.02 173.92 1cye n ASP 64 N 3.90 -0.25 -0.05 1.11 5.68 -1.10 -1.88 116.55 123.96 1cye n ASP 64 Ca 0.04 0.27 -0.08 0.00 -0.50 0.00 0.00 54.79 54.52 1cye n ASP 64 Cb 0.39 -1.42 -0.02 0.00 -1.14 0.00 0.00 41.12 38.94 1cye n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cye h GLY 65 N -2.10 -0.21 1.18 6.12 0.00 -0.46 0.60 103.07 108.19 1cye h GLY 65 Ca -0.48 0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.20 1cye h GLY 65 CO 0.43 -0.20 0.53 -2.00 0.00 0.00 0.00 176.54 175.29 1cye h LEU 66 N -0.27 0.90 -0.30 3.11 5.85 -1.84 -0.78 115.31 121.98 1cye h LEU 66 Ca 0.14 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1cye h LEU 66 Cb 0.49 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1cye h LEU 66 CO -0.41 0.64 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.82 1cye h GLU 67 N 1.06 0.83 -0.60 1.25 4.81 -1.61 -3.00 114.58 117.31 1cye h GLU 67 Ca 0.30 -0.49 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1cye h GLU 67 Cb -0.08 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1cye h GLU 67 CO -0.07 1.12 0.31 1.25 -0.73 0.00 0.00 179.01 180.89 1cye h LEU 68 N 0.60 0.45 -0.51 1.64 5.85 -0.19 -1.55 115.31 121.59 1cye h LEU 68 Ca 0.03 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1cye h LEU 68 Cb 1.04 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1cye h LEU 68 CO 0.10 0.29 -0.19 0.25 -0.34 0.00 0.00 178.44 178.56 1cye h LEU 69 N 0.59 -0.67 -0.41 2.25 6.46 -1.09 -1.66 115.31 120.77 1cye h LEU 69 Ca 0.27 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 1cye h LEU 69 Cb 0.19 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1cye h LEU 69 CO -0.19 -0.22 0.26 0.11 -0.62 0.00 0.00 178.44 177.78 1cye h LYS 70 N -0.07 0.55 0.00 1.25 1.57 -1.18 0.76 116.57 119.45 1cye h LYS 70 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1cye h LYS 70 Cb 0.44 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1cye h LYS 70 CO -0.56 0.38 0.00 1.79 -0.57 0.00 0.00 179.45 180.49 1cye h THR 71 N 0.55 0.00 0.00 -0.16 1.35 -0.41 0.11 112.91 114.34 1cye h THR 71 Ca 0.15 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1cye h THR 71 Cb -0.04 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1cye h THR 71 CO -0.03 0.00 -0.37 -0.38 -0.25 0.00 0.00 175.52 174.49 1cye n ILE 72 N -2.35 0.67 -0.27 6.82 5.41 -0.70 -4.27 119.36 124.67 1cye n ILE 72 Ca -0.01 0.35 0.04 0.00 1.00 0.00 0.00 62.75 64.14 1cye n ILE 72 Cb 0.08 -1.89 0.18 0.00 -0.71 0.00 0.00 39.64 37.30 1cye n ILE 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1cye h ARG 73 N -0.45 0.58 0.00 0.38 9.65 -0.75 -1.03 114.38 122.76 1cye h ARG 73 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1cye h ARG 73 Cb 0.37 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1cye h ARG 73 CO 0.00 0.39 -0.44 0.00 2.80 0.00 0.00 179.97 182.71 1cye n ALA 74 N -2.43 3.33 -2.56 2.80 0.00 0.36 -4.58 120.51 117.43 1cye n ALA 74 Ca 0.14 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1cye n ALA 74 Cb 0.36 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1cye n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cye s ASP 75 N -3.10 6.43 0.57 0.00 -1.08 -0.42 -4.94 116.67 114.14 1cye s ASP 75 Ca 0.11 0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 1cye s ASP 75 Cb 0.17 -2.36 0.30 0.00 -1.46 0.00 0.00 42.92 39.57 1cye s ASP 75 CO 0.68 -0.76 1.11 1.23 0.52 0.00 0.00 175.17 177.94 1cye h GLY 76 N 9.76 0.00 0.00 2.66 0.00 -1.87 -0.37 103.07 113.26 1cye h GLY 76 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.65 1cye h GLY 76 CO 0.90 0.00 -2.42 0.00 0.00 0.00 0.00 176.54 175.03 1cye n ALA 77 N -1.51 1.20 0.22 3.60 0.00 -1.26 -4.74 120.51 118.01 1cye n ALA 77 Ca -0.00 -1.07 0.09 0.00 0.00 0.00 0.00 53.44 52.45 1cye n ALA 77 Cb 0.81 0.14 0.47 0.00 0.00 0.00 0.00 19.45 20.87 1cye n ALA 77 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1cye h MET 78 N -0.99 0.00 -1.99 0.00 2.86 -1.49 -3.40 114.93 109.92 1cye h MET 78 Ca -0.65 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 1cye h MET 78 Cb 1.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.22 1cye h MET 78 CO -0.39 0.26 0.00 0.45 1.06 0.00 0.00 176.91 178.29 1cye n SER 79 N -3.53 0.00 0.00 1.22 2.88 -0.25 -2.24 113.62 111.70 1cye n SER 79 Ca -0.01 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1cye n SER 79 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1cye n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cye n ALA 80 N 1.85 1.95 -1.95 -1.46 0.00 -1.26 -4.98 120.51 114.66 1cye n ALA 80 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1cye n ALA 80 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N -4.30 4.13 0.32 0.00 1.43 -0.95 -4.97 118.68 114.34 1cye s LEU 81 Ca 0.00 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.90 1cye s LEU 81 Cb 0.00 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 1cye s LEU 81 CO 0.00 -1.14 1.45 -2.16 0.23 0.00 0.00 176.35 174.73 1cye s PRO 82 N 4.50 4.21 -0.30 1.29 0.04 -1.26 -4.86 135.00 138.62 1cye s PRO 82 Ca 0.78 2.42 -0.02 0.00 0.04 0.00 0.00 61.00 64.22 1cye s PRO 82 Cb -0.32 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1cye s PRO 82 CO 0.32 -0.43 -0.01 0.08 0.04 0.00 0.00 177.00 177.00 1cye s VAL 83 N -0.65 2.95 -0.39 -0.36 1.01 -1.26 -1.14 120.40 120.56 1cye s VAL 83 Ca 0.55 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1cye s VAL 83 Cb -0.44 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1cye s VAL 83 CO 0.53 -0.09 0.21 -0.22 0.00 0.00 0.00 175.10 175.53 1cye s LEU 84 N 1.25 4.85 -0.44 3.92 2.96 0.76 -1.13 118.68 130.86 1cye s LEU 84 Ca -0.05 -1.29 -0.28 0.00 -0.22 0.00 0.00 54.13 52.30 1cye s LEU 84 Cb -0.20 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1cye s LEU 84 CO -0.01 -0.45 1.05 -0.04 -1.32 0.00 0.00 176.35 175.58 1cye s MET 85 N 1.45 3.75 -0.71 1.98 -1.94 -0.27 -0.65 119.30 122.92 1cye s MET 85 Ca 0.02 0.55 -0.20 0.00 -1.71 0.00 0.00 55.69 54.34 1cye s MET 85 Cb -0.21 -3.87 0.10 0.00 2.01 0.00 0.00 34.83 32.86 1cye s MET 85 CO 0.04 -1.22 0.91 0.08 -0.01 0.00 0.00 175.02 174.82 1cye s VAL 86 N 4.05 4.62 -0.13 -6.03 1.01 0.11 -0.43 120.40 123.61 1cye s VAL 86 Ca 0.44 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1cye s VAL 86 Cb -0.09 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1cye s VAL 86 CO 0.26 -1.35 -0.00 0.28 0.00 0.00 0.00 175.10 174.29 1cye s THR 87 N 3.16 4.24 -1.17 3.92 -1.32 -0.32 -0.42 115.64 123.72 1cye s THR 87 Ca 0.21 -0.25 0.22 0.00 -1.21 0.00 0.00 61.69 60.66 1cye s THR 87 Cb -0.16 -2.83 0.27 0.00 -1.51 0.00 0.00 72.50 68.26 1cye s THR 87 CO 0.04 0.54 1.73 0.00 -2.21 0.00 0.00 174.62 174.71 1cye n ALA 88 N 2.89 2.08 -3.43 11.08 0.00 -1.26 -1.75 120.51 130.12 1cye n ALA 88 Ca -0.18 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1cye n ALA 88 Cb 0.53 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 1cye n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1cye s GLU 89 N -2.83 0.41 -1.38 0.00 -1.05 -1.26 -4.87 118.70 107.73 1cye s GLU 89 Ca 0.15 -0.59 -0.08 0.00 -0.15 0.00 0.00 54.97 54.29 1cye s GLU 89 Cb 0.15 -0.88 0.09 0.00 -0.44 0.00 0.00 34.13 33.05 1cye s GLU 89 CO 0.38 -1.10 2.32 0.00 0.95 0.00 0.00 175.26 177.81 1cye n ALA 90 N 4.82 6.38 -2.49 -0.84 0.00 -1.26 -4.75 120.51 122.37 1cye n ALA 90 Ca 0.03 -4.03 -0.29 0.00 0.00 0.00 0.00 53.44 49.14 1cye n ALA 90 Cb 0.44 -3.03 -0.11 0.00 0.00 0.00 0.00 19.45 16.75 1cye n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1cye s LYS 91 N 0.38 1.79 0.19 0.00 -2.85 -1.26 -5.00 119.74 112.99 1cye s LYS 91 Ca 0.52 -1.19 -0.09 0.00 -1.00 0.00 0.00 55.97 54.21 1cye s LYS 91 Cb 0.15 -2.11 0.26 0.00 -2.06 0.00 0.00 37.83 34.07 1cye s LYS 91 CO -0.06 0.48 1.13 1.17 0.10 0.00 0.00 175.35 178.17 1cye n LYS 92 N 0.76 -0.11 0.10 1.78 4.81 -1.26 -1.28 118.16 122.95 1cye n LYS 92 Ca -0.15 1.12 -0.14 0.00 -0.87 0.00 0.00 58.31 58.27 1cye n LYS 92 Cb 0.53 -1.67 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 1cye n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cye h GLU 93 N 0.00 -0.62 -0.84 1.64 4.22 -1.97 -0.22 114.58 116.80 1cye h GLU 93 Ca 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.77 1cye h GLU 93 Cb 0.48 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1cye h GLU 93 CO -0.73 -0.41 0.48 -0.91 -2.18 0.00 0.00 179.01 175.26 1cye h ASN 94 N -0.64 1.02 0.01 1.04 4.21 -1.48 -2.10 115.58 117.64 1cye h ASN 94 Ca 0.03 -0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.47 1cye h ASN 94 Cb 0.68 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1cye h ASN 94 CO -0.26 0.81 -0.08 0.40 -1.29 0.00 0.00 177.43 177.01 1cye h ILE 95 N 1.16 0.80 0.19 2.81 2.04 -0.74 0.37 117.51 124.14 1cye h ILE 95 Ca 0.30 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.17 1cye h ILE 95 Cb -0.01 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1cye h ILE 95 CO -0.05 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.17 1cye h ILE 96 N -0.14 0.31 -0.30 -0.67 2.04 -0.84 -0.54 117.51 117.37 1cye h ILE 96 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1cye h ILE 96 Cb 0.17 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1cye h ILE 96 CO -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.97 1cye h ALA 97 N 0.01 0.15 0.22 1.87 0.00 -1.18 -0.74 119.26 119.59 1cye h ALA 97 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cye h ALA 97 Cb 0.59 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cye h ALA 97 CO -0.15 -0.50 -0.10 0.00 0.00 0.00 0.00 179.25 178.50 1cye h ALA 98 N 1.23 -0.29 -0.24 0.00 0.00 -0.66 -1.56 119.26 117.74 1cye h ALA 98 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cye h ALA 98 Cb 0.28 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1cye h ALA 98 CO -0.34 -0.61 0.15 0.00 0.00 0.00 0.00 179.25 178.46 1cye h ALA 99 N 0.35 0.30 -0.55 0.00 0.00 -0.84 -1.10 119.26 117.42 1cye h ALA 99 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1cye h ALA 99 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1cye h ALA 99 CO 0.05 -0.23 0.17 1.96 0.00 0.00 0.00 179.25 181.19 1cye h GLN 100 N 0.31 0.82 0.00 0.00 4.20 -1.09 -1.97 115.11 117.38 1cye h GLN 100 Ca 0.09 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1cye h GLN 100 Cb -0.03 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1cye h GLN 100 CO -0.02 0.71 -0.10 0.00 -0.67 0.00 0.00 178.83 178.75 1cye h ALA 101 N 1.39 1.01 0.00 3.87 0.00 -1.04 -3.47 119.26 121.02 1cye h ALA 101 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cye h ALA 101 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1cye h ALA 101 CO -0.01 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1cye n GLY 102 N 0.17 1.83 3.65 0.00 0.00 -0.74 -4.69 105.19 105.41 1cye n GLY 102 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye s ALA 103 N -2.00 3.55 0.44 4.61 0.00 -0.45 -4.76 121.76 123.15 1cye s ALA 103 Ca 0.00 0.77 0.19 0.00 0.00 0.00 0.00 51.96 52.91 1cye s ALA 103 Cb 0.00 -3.75 1.15 0.00 0.00 0.00 0.00 23.12 20.52 1cye s ALA 103 CO 0.00 -1.48 2.02 0.77 0.00 0.00 0.00 175.76 177.06 1cye h SER 104 N 9.61 0.00 -5.83 0.00 0.02 -1.46 -3.43 113.55 112.45 1cye h SER 104 Ca -0.36 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 60.93 1cye h SER 104 Cb 1.16 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.59 1cye h SER 104 CO 0.97 0.17 0.88 -0.83 -1.14 0.00 0.00 176.83 176.87 1cye s GLY 105 N -4.19 -0.36 -0.12 -3.77 0.00 -0.77 -4.77 107.32 93.33 1cye s GLY 105 Ca -0.04 0.59 -0.10 0.00 0.00 0.00 0.00 44.72 45.17 1cye s GLY 105 CO 0.66 1.44 0.32 -2.52 0.00 0.00 0.00 173.10 173.00 1cye s TYR 106 N -2.26 -0.38 -0.09 1.90 -0.85 -1.26 -1.11 117.35 113.31 1cye s TYR 106 Ca 0.18 0.89 0.02 0.00 -0.52 0.00 0.00 57.07 57.64 1cye s TYR 106 Cb 0.04 0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.52 1cye s TYR 106 CO -0.04 -0.20 -0.14 0.54 -1.52 0.00 0.00 175.55 174.19 1cye s VAL 107 N 0.47 1.37 0.22 -3.49 0.11 0.43 -4.91 120.40 114.60 1cye s VAL 107 Ca -0.02 -0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 58.14 1cye s VAL 107 Cb -0.04 -1.25 -0.09 0.00 -1.53 0.00 0.00 36.38 33.47 1cye s VAL 107 CO -0.02 0.41 0.90 0.54 -3.33 0.00 0.00 175.10 173.60 1cye s VAL 108 N 0.80 4.15 -0.13 2.04 0.11 -1.26 -1.18 120.40 124.94 1cye s VAL 108 Ca -0.11 1.99 -0.15 0.00 -2.93 0.00 0.00 61.98 60.78 1cye s VAL 108 Cb -0.16 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.37 1cye s VAL 108 CO 0.02 0.51 0.36 -1.59 -3.33 0.00 0.00 175.10 171.06 1cye s LYS 109 N -1.17 4.21 0.40 1.54 -2.85 -0.72 -2.98 119.74 118.18 1cye s LYS 109 Ca 0.40 0.24 -0.16 0.00 -1.00 0.00 0.00 55.97 55.44 1cye s LYS 109 Cb -0.25 -3.40 -0.09 0.00 -2.06 0.00 0.00 37.83 32.03 1cye s LYS 109 CO 0.31 0.29 0.85 -1.25 0.10 0.00 0.00 175.35 175.64 1cye s PRO 110 N 0.27 4.00 0.07 1.78 0.04 -1.26 -4.82 135.00 135.08 1cye s PRO 110 Ca 0.20 0.79 0.03 0.00 0.04 0.00 0.00 61.00 62.07 1cye s PRO 110 Cb -0.14 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1cye s PRO 110 CO 0.07 -0.01 -0.10 -0.59 0.04 0.00 0.00 177.00 176.41 1cye s PHE 111 N -2.24 0.90 0.50 0.56 -0.71 -1.16 -5.17 117.98 110.66 1cye s PHE 111 Ca 0.56 -0.57 0.07 0.00 -1.04 0.00 0.00 56.93 55.96 1cye s PHE 111 Cb -0.10 -0.51 0.04 0.00 -1.21 0.00 0.00 43.02 41.24 1cye s PHE 111 CO 0.22 -0.04 0.68 0.95 -1.34 0.00 0.00 175.22 175.69 1cye s THR 112 N -1.83 2.67 0.25 -4.49 -4.23 -1.26 -4.92 115.64 101.84 1cye s THR 112 Ca -0.03 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1cye s THR 112 Cb -0.07 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.27 1cye s THR 112 CO 0.00 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.91 1cye h ALA 113 N 0.38 1.27 -0.39 3.99 0.00 -1.99 0.21 119.26 122.73 1cye h ALA 113 Ca -0.37 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1cye h ALA 113 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1cye h ALA 113 CO 0.44 0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.93 1cye h ALA 114 N 1.47 0.51 -0.47 0.00 0.00 -1.95 0.66 119.26 119.48 1cye h ALA 114 Ca 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1cye h ALA 114 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1cye h ALA 114 CO -0.24 0.22 0.27 1.15 0.00 0.00 0.00 179.25 180.65 1cye h THR 115 N 0.49 1.16 -0.24 0.00 2.02 -1.77 -0.58 112.91 113.99 1cye h THR 115 Ca 0.12 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1cye h THR 115 Cb 0.36 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1cye h THR 115 CO 0.01 0.16 0.15 0.25 0.37 0.00 0.00 175.52 176.46 1cye h LEU 116 N 0.62 0.28 -0.75 2.58 7.12 -0.69 -2.69 115.31 121.78 1cye h LEU 116 Ca 0.17 -0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1cye h LEU 116 Cb 0.02 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.02 1cye h LEU 116 CO -0.03 0.23 0.44 -0.08 -0.13 0.00 0.00 178.44 178.86 1cye h GLU 117 N 0.31 0.77 -0.66 1.25 4.22 -0.44 -1.69 114.58 118.34 1cye h GLU 117 Ca 0.09 -0.05 0.11 0.00 0.08 0.00 0.00 59.36 59.59 1cye h GLU 117 Cb -0.01 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 28.98 1cye h GLU 117 CO -0.02 0.51 0.23 0.93 -2.18 0.00 0.00 179.01 178.48 1cye h GLU 118 N 0.79 0.37 -0.38 1.92 5.08 -0.77 -1.34 114.58 120.25 1cye h GLU 118 Ca 0.34 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 118 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1cye h GLU 118 CO -0.19 0.25 -0.16 0.87 -1.00 0.00 0.00 179.01 178.78 1cye h LYS 119 N 0.39 0.78 -0.06 2.33 6.56 -1.28 -2.99 116.57 122.29 1cye h LYS 119 Ca 0.35 -0.33 0.04 0.00 -1.06 0.00 0.00 60.65 59.64 1cye h LYS 119 Cb 0.48 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.07 1cye h LYS 119 CO -0.36 0.95 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.68 1cye h LEU 120 N 0.58 -0.69 -0.27 2.94 3.38 -0.72 -2.77 115.31 117.75 1cye h LEU 120 Ca 0.09 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1cye h LEU 120 Cb 0.70 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1cye h LEU 120 CO 0.05 -0.29 -0.27 0.78 0.09 0.00 0.00 178.44 178.80 1cye h ASN 121 N -0.33 -0.88 -0.61 -0.43 4.21 -1.24 -2.05 115.58 114.25 1cye h ASN 121 Ca 0.08 0.15 0.13 0.00 1.21 0.00 0.00 56.30 57.87 1cye h ASN 121 Cb 0.44 0.41 -0.10 0.00 -1.12 0.00 0.00 38.32 37.95 1cye h ASN 121 CO -0.25 -0.30 -0.02 0.50 -1.29 0.00 0.00 177.43 176.07 1cye h LYS 122 N -0.27 0.09 0.00 0.81 3.64 -1.36 -1.12 116.57 118.37 1cye h LYS 122 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1cye h LYS 122 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1cye h LYS 122 CO -0.43 0.06 -0.00 0.82 -2.27 0.00 0.00 179.45 177.63 1cye h ILE 123 N 0.10 1.12 -0.72 2.00 2.04 -1.12 -2.73 117.51 118.19 1cye h ILE 123 Ca 0.31 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1cye h ILE 123 Cb 0.50 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1cye h ILE 123 CO -0.54 0.09 0.46 -0.26 0.00 0.00 0.00 178.15 177.90 1cye h PHE 124 N -0.15 0.86 0.00 1.37 0.04 -0.75 -1.40 116.94 116.91 1cye h PHE 124 Ca -0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1cye h PHE 124 Cb 0.15 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1cye h PHE 124 CO -0.03 0.49 -0.27 0.93 -0.60 0.00 0.00 178.31 178.84 1cye h GLU 125 N 0.90 0.00 0.00 1.51 3.07 -1.06 -2.70 114.58 116.30 1cye h GLU 125 Ca 0.29 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.87 1cye h GLU 125 Cb 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 1cye h GLU 125 CO -0.11 0.27 -1.88 0.36 -1.40 0.00 0.00 179.01 176.25 1cye n LYS 126 N -3.93 0.51 0.00 2.33 2.85 -0.76 -4.84 118.16 114.32 1cye n LYS 126 Ca -0.02 0.22 0.05 0.00 -1.05 0.00 0.00 58.31 57.51 1cye n LYS 126 Cb 0.34 -1.37 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 1cye n LYS 126 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1cye n LEU 127 N -4.20 1.31 0.00 -5.58 -0.00 -0.60 -5.12 117.00 102.80 1cye n LEU 127 Ca -0.37 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 54.83 1cye n LEU 127 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 1cye n LEU 127 CO 0.08 0.26 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 1cye n GLY 128 N 0.81 -1.78 0.00 1.47 0.00 -1.02 -5.01 105.19 99.66 1cye n GLY 128 Ca 0.04 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.11 1cye n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47