#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye s SER 2 N 0.00 6.70 -0.42 0.55 1.04 -1.26 -5.00 113.70 115.30 1cye s SER 2 Ca 0.00 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1cye s SER 2 Cb 0.00 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1cye s SER 2 CO 0.00 -0.49 0.38 -0.62 0.98 0.00 0.00 173.24 173.49 1cye s ASP 3 N 1.46 6.15 0.51 7.02 -1.08 -1.26 -4.97 116.67 124.50 1cye s ASP 3 Ca 0.31 -0.85 0.34 0.00 -0.52 0.00 0.00 52.55 51.84 1cye s ASP 3 Cb -0.15 -2.19 1.82 0.00 -1.46 0.00 0.00 42.92 40.94 1cye s ASP 3 CO 0.09 -0.54 2.05 0.11 0.52 0.00 0.00 175.17 177.40 1cye h LYS 4 N 8.70 0.00 -2.31 4.34 1.79 -1.96 -3.11 116.57 124.02 1cye h LYS 4 Ca -0.27 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.50 1cye h LYS 4 Cb 1.11 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.42 1cye h LYS 4 CO 0.78 0.00 0.21 -1.91 -1.08 0.00 0.00 179.45 177.45 1cye n GLU 5 N -2.74 4.28 -3.10 3.15 0.00 -1.26 -3.71 120.64 117.26 1cye n GLU 5 Ca -0.02 -4.75 -0.39 0.00 0.00 0.00 0.00 57.16 52.00 1cye n GLU 5 Cb 0.09 -2.36 -0.05 0.00 0.00 0.00 0.00 31.44 29.11 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N -3.76 4.47 -0.28 4.31 2.96 -1.18 -4.87 118.68 120.33 1cye s LEU 6 Ca 0.43 1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 55.46 1cye s LEU 6 Cb 0.22 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 1cye s LEU 6 CO -0.11 0.11 0.76 -0.75 -1.32 0.00 0.00 176.35 175.04 1cye s LYS 7 N -0.40 4.05 0.07 1.98 2.20 -1.26 -3.97 119.74 122.42 1cye s LYS 7 Ca 0.34 0.67 0.04 0.00 -0.36 0.00 0.00 55.97 56.66 1cye s LYS 7 Cb -0.20 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1cye s LYS 7 CO 0.21 -0.57 0.01 -0.06 -0.36 0.00 0.00 175.35 174.57 1cye s PHE 8 N 2.81 3.03 -0.28 4.03 0.40 0.38 -1.13 117.98 127.21 1cye s PHE 8 Ca 0.31 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1cye s PHE 8 Cb -0.15 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.89 1cye s PHE 8 CO 0.10 0.48 0.03 -1.17 0.70 0.00 0.00 175.22 175.36 1cye s LEU 9 N -2.17 2.87 -0.58 -0.37 1.98 -0.93 -0.17 118.68 119.32 1cye s LEU 9 Ca 0.25 -1.55 -0.25 0.00 -2.89 0.00 0.00 54.13 49.68 1cye s LEU 9 Cb -0.12 -1.13 0.04 0.00 0.66 0.00 0.00 46.19 45.64 1cye s LEU 9 CO 0.17 -0.34 1.04 -0.69 -1.89 0.00 0.00 176.35 174.64 1cye s VAL 10 N 1.39 4.23 -0.70 1.68 1.01 -0.14 -1.26 120.40 126.62 1cye s VAL 10 Ca 0.04 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1cye s VAL 10 Cb -0.18 -4.63 0.18 0.00 0.00 0.00 0.00 36.38 31.75 1cye s VAL 10 CO -0.14 -1.24 0.60 -0.69 0.00 0.00 0.00 175.10 173.63 1cye s VAL 11 N 4.37 4.91 -0.05 2.92 1.01 0.15 -0.69 120.40 133.01 1cye s VAL 11 Ca 0.34 -2.41 0.00 0.00 0.00 0.00 0.00 61.98 59.91 1cye s VAL 11 Cb -0.11 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1cye s VAL 11 CO 0.20 -0.94 -0.02 -0.62 0.00 0.00 0.00 175.10 173.72 1cye s ASP 12 N 1.99 0.94 0.64 3.32 -1.08 -0.49 -0.83 116.67 121.17 1cye s ASP 12 Ca 0.15 -0.09 0.41 0.00 -0.52 0.00 0.00 52.55 52.49 1cye s ASP 12 Cb -0.17 -0.38 2.25 0.00 -1.46 0.00 0.00 42.92 43.16 1cye s ASP 12 CO -0.05 -0.10 2.33 -2.24 0.52 0.00 0.00 175.17 175.63 1cye h ASP 13 N 7.46 0.00 -3.22 -0.34 2.03 -1.59 -3.39 116.42 117.37 1cye h ASP 13 Ca -0.35 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.33 1cye h ASP 13 Cb 1.14 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.51 1cye h ASP 13 CO 0.42 0.00 -0.53 0.12 -1.03 0.00 0.00 179.24 178.23 1cye s PHE 14 N -4.26 3.35 0.12 4.15 5.36 -1.26 -4.99 117.98 120.44 1cye s PHE 14 Ca -0.05 0.23 -0.32 0.00 -0.96 0.00 0.00 56.93 55.83 1cye s PHE 14 Cb 0.13 -2.09 -0.10 0.00 -0.34 0.00 0.00 43.02 40.62 1cye s PHE 14 CO 0.45 0.28 1.57 0.66 -1.46 0.00 0.00 175.22 176.72 1cye h SER 15 N 6.47 -1.47 -0.48 6.13 4.64 -2.00 -1.60 113.55 125.25 1cye h SER 15 Ca -0.41 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1cye h SER 15 Cb 1.17 0.57 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 1cye h SER 15 CO 0.71 -0.49 0.31 0.74 -0.87 0.00 0.00 176.83 177.24 1cye h THR 16 N -0.61 1.13 -0.74 2.95 2.02 -1.96 -2.64 112.91 113.06 1cye h THR 16 Ca 0.04 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1cye h THR 16 Cb 0.69 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1cye h THR 16 CO -0.35 0.12 0.49 -0.03 0.37 0.00 0.00 175.52 176.12 1cye h MET 17 N 0.64 0.96 -0.33 6.66 -1.53 -1.81 -2.19 114.93 117.33 1cye h MET 17 Ca 0.17 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.40 1cye h MET 17 Cb -0.06 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.74 1cye h MET 17 CO -0.04 0.64 0.16 0.00 0.14 0.00 0.00 176.91 177.81 1cye h ARG 18 N 0.99 0.32 -0.67 0.39 3.08 -0.93 -2.61 114.38 114.95 1cye h ARG 18 Ca 0.27 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.32 1cye h ARG 18 Cb -0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 1cye h ARG 18 CO -0.06 0.21 0.44 -0.09 -1.07 0.00 0.00 179.97 179.40 1cye h ARG 19 N 0.33 0.86 -0.33 0.04 9.65 -1.36 -2.20 114.38 121.37 1cye h ARG 19 Ca 0.14 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1cye h ARG 19 Cb 0.06 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1cye h ARG 19 CO -0.11 0.57 0.07 0.82 2.80 0.00 0.00 179.97 184.13 1cye h ILE 20 N 0.88 0.85 -0.69 1.20 2.04 -1.07 -1.32 117.51 119.40 1cye h ILE 20 Ca 0.25 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 1cye h ILE 20 Cb -0.07 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1cye h ILE 20 CO -0.07 0.04 0.29 0.58 0.00 0.00 0.00 178.15 178.98 1cye h VAL 21 N 0.19 1.24 -0.08 1.67 2.07 -1.12 -1.02 116.25 119.21 1cye h VAL 21 Ca 0.15 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1cye h VAL 21 Cb 0.16 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1cye h VAL 21 CO -0.19 0.30 -0.18 -0.09 0.02 0.00 0.00 177.57 177.43 1cye h ARG 22 N 0.97 -0.24 -0.86 1.57 2.43 -0.85 -1.13 114.38 116.28 1cye h ARG 22 Ca 0.23 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1cye h ARG 22 Cb 0.19 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1cye h ARG 22 CO -0.02 -0.16 0.57 -0.91 -1.51 0.00 0.00 179.97 177.94 1cye h ASN 23 N -0.25 0.96 0.37 -3.80 2.35 -0.69 -0.64 115.58 113.89 1cye h ASN 23 Ca 0.08 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1cye h ASN 23 Cb 0.36 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1cye h ASN 23 CO -0.23 0.68 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.99 1cye h LEU 24 N 1.13 -0.42 -0.75 1.61 3.38 -0.65 -1.30 115.31 118.31 1cye h LEU 24 Ca 0.32 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1cye h LEU 24 Cb -0.08 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1cye h LEU 24 CO -0.08 -0.17 0.41 -0.07 0.09 0.00 0.00 178.44 178.62 1cye h LEU 25 N -0.67 0.59 -0.37 1.67 3.38 -0.87 -1.99 115.31 117.05 1cye h LEU 25 Ca -0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1cye h LEU 25 Cb 0.48 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1cye h LEU 25 CO 0.08 0.35 0.12 0.50 0.09 0.00 0.00 178.44 179.59 1cye h LYS 26 N 0.72 0.27 -0.75 1.13 3.64 -1.01 -0.95 116.57 119.61 1cye h LYS 26 Ca 0.35 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1cye h LYS 26 Cb 0.30 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1cye h LYS 26 CO -0.23 0.18 0.50 0.93 -2.27 0.00 0.00 179.45 178.56 1cye h GLU 27 N 0.28 0.99 0.00 1.90 5.08 -0.53 -0.65 114.58 121.65 1cye h GLU 27 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1cye h GLU 27 Cb 0.15 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1cye h GLU 27 CO -0.18 0.65 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.40 1cye h LEU 28 N 1.02 0.00 0.00 1.33 3.38 -0.73 -3.47 115.31 116.84 1cye h LEU 28 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cye h LEU 28 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1cye h LEU 28 CO -0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1cye n GLY 29 N 0.30 1.88 3.46 0.83 0.00 -0.25 -5.06 105.19 106.35 1cye n GLY 29 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.03 3.43 -1.20 1.61 0.08 -0.44 -4.72 117.98 114.71 1cye s PHE 30 Ca 0.00 -1.99 0.25 0.00 0.12 0.00 0.00 56.93 55.31 1cye s PHE 30 Cb 0.00 -4.30 1.15 0.00 -0.57 0.00 0.00 43.02 39.29 1cye s PHE 30 CO 0.00 -1.41 1.81 0.09 -0.10 0.00 0.00 175.22 175.61 1cye n ASN 31 N 5.81 0.00 -4.35 1.36 3.02 -1.26 -3.32 115.26 116.52 1cye n ASN 31 Ca 0.34 0.23 -0.45 0.00 -0.03 0.00 0.00 54.58 54.66 1cye n ASN 31 Cb 0.44 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 1cye n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1cye s ASN 32 N -2.80 6.30 0.00 6.41 3.84 -1.25 -4.95 114.94 122.49 1cye s ASN 32 Ca 0.17 -1.78 0.02 0.00 0.21 0.00 0.00 52.86 51.49 1cye s ASN 32 Cb 0.16 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 38.59 1cye s ASN 32 CO 0.41 -0.95 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.01 1cye s VAL 33 N 1.95 0.62 0.14 -5.21 1.01 -1.26 -0.47 120.40 117.17 1cye s VAL 33 Ca 0.11 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1cye s VAL 33 Cb -0.23 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1cye s VAL 33 CO 0.02 0.10 -0.19 -0.70 0.00 0.00 0.00 175.10 174.33 1cye s GLU 34 N -0.39 1.19 0.01 2.72 -6.30 0.76 -4.93 118.70 111.77 1cye s GLU 34 Ca 0.01 -1.30 0.06 0.00 -2.50 0.00 0.00 54.97 51.25 1cye s GLU 34 Cb -0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 34.13 32.76 1cye s GLU 34 CO -0.00 0.28 -0.19 -1.21 0.02 0.00 0.00 175.26 174.16 1cye s GLU 35 N -2.45 1.37 0.10 4.30 2.02 -1.26 -0.97 118.70 121.81 1cye s GLU 35 Ca 0.12 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1cye s GLU 35 Cb -0.07 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.73 1cye s GLU 35 CO 0.05 0.37 -0.09 0.00 0.02 0.00 0.00 175.26 175.61 1cye s ALA 36 N -0.62 1.12 -0.18 5.21 0.00 0.13 -4.94 121.76 122.48 1cye s ALA 36 Ca 0.06 -1.27 0.11 0.00 0.00 0.00 0.00 51.96 50.86 1cye s ALA 36 Cb -0.08 0.07 -0.18 0.00 0.00 0.00 0.00 23.12 22.93 1cye s ALA 36 CO 0.00 -0.10 -0.02 -0.85 0.00 0.00 0.00 175.76 174.79 1cye n GLU 37 N 0.29 1.05 -4.25 0.00 0.28 -1.26 -1.40 120.64 115.35 1cye n GLU 37 Ca -0.14 0.03 -0.15 0.00 -0.16 0.00 0.00 57.16 56.74 1cye n GLU 37 Cb 0.59 -1.43 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1cye s ASP 38 N -5.37 0.84 0.16 -1.84 -4.77 -1.26 -1.81 116.67 102.61 1cye s ASP 38 Ca -0.15 -1.51 -0.27 0.00 -3.30 0.00 0.00 52.55 47.32 1cye s ASP 38 Cb 0.06 0.41 0.00 0.00 -1.09 0.00 0.00 42.92 42.30 1cye s ASP 38 CO 0.62 -0.90 1.57 1.23 0.70 0.00 0.00 175.17 178.40 1cye h GLY 39 N 2.41 -0.56 0.81 2.12 0.00 -1.45 -1.68 103.07 104.72 1cye h GLY 39 Ca -0.33 0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1cye h GLY 39 CO 0.49 -0.18 -0.21 -2.08 0.00 0.00 0.00 176.54 174.57 1cye h VAL 40 N -0.31 0.56 -0.97 4.60 2.07 -1.89 -2.17 116.25 118.13 1cye h VAL 40 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.83 1cye h VAL 40 Cb 0.58 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1cye h VAL 40 CO -0.59 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 176.79 1cye h ASP 41 N -0.48 0.74 0.10 0.57 3.58 -1.84 -1.26 116.42 117.84 1cye h ASP 41 Ca -0.01 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1cye h ASP 41 Cb 0.42 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1cye h ASP 41 CO -0.02 0.29 -0.05 0.00 -2.88 0.00 0.00 179.24 176.58 1cye h ALA 42 N 1.61 -0.14 -0.47 -0.78 0.00 -0.73 -1.76 119.26 116.98 1cye h ALA 42 Ca 0.54 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.41 1cye h ALA 42 Cb 0.79 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1cye h ALA 42 CO -0.37 -0.48 0.12 -0.07 0.00 0.00 0.00 179.25 178.45 1cye h LEU 43 N -0.33 0.06 0.30 0.00 3.38 -0.65 0.15 115.31 118.21 1cye h LEU 43 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 43 Cb 0.27 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1cye h LEU 43 CO 0.02 0.06 -0.29 0.78 0.09 0.00 0.00 178.44 179.11 1cye h ASN 44 N 0.27 -0.78 -0.95 -0.43 4.21 -1.37 -2.96 115.58 113.56 1cye h ASN 44 Ca 0.23 0.07 0.05 0.00 1.21 0.00 0.00 56.30 57.86 1cye h ASN 44 Cb 0.28 0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 37.69 1cye h ASN 44 CO -0.28 -0.42 0.62 0.11 -1.29 0.00 0.00 177.43 176.18 1cye h LYS 45 N -0.61 1.13 -0.24 0.81 1.57 -0.76 -2.60 116.57 115.87 1cye h LYS 45 Ca -0.01 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1cye h LYS 45 Cb 0.56 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1cye h LYS 45 CO -0.06 0.75 0.17 -0.07 -0.57 0.00 0.00 179.45 179.67 1cye h LEU 46 N 1.16 0.11 -2.58 2.94 3.38 -0.56 -2.42 115.31 117.34 1cye h LEU 46 Ca 0.39 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1cye h LEU 46 Cb 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1cye h LEU 46 CO -0.13 0.07 0.09 1.56 0.09 0.00 0.00 178.44 180.12 1cye h GLN 47 N 0.13 0.00 0.00 1.13 1.08 -1.42 -2.03 115.11 114.00 1cye h GLN 47 Ca 0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1cye h GLN 47 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1cye h GLN 47 CO -0.01 0.00 -0.03 0.00 -0.95 0.00 0.00 178.83 177.84 1cye h ALA 48 N 1.86 1.59 0.00 3.87 0.00 -1.62 -3.49 119.26 121.48 1cye h ALA 48 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cye h ALA 48 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cye h ALA 48 CO -0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1cye n GLY 49 N -1.26 -0.66 3.56 0.00 0.00 -0.77 -4.99 105.19 101.08 1cye n GLY 49 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.69 2.67 3.59 -0.02 0.00 -1.26 -4.95 105.19 104.52 1cye n GLY 50 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.53 1.25 -0.97 1.61 2.02 -1.26 -4.24 117.35 115.23 1cye s TYR 51 Ca 0.00 0.69 0.17 0.00 -0.37 0.00 0.00 57.07 57.56 1cye s TYR 51 Cb 0.00 -3.92 0.74 0.00 -0.40 0.00 0.00 41.96 38.38 1cye s TYR 51 CO 0.00 -3.70 1.65 0.41 -1.57 0.00 0.00 175.55 172.34 1cye n GLY 52 N 5.75 2.73 3.64 0.71 0.00 -0.29 -4.84 105.19 112.89 1cye n GLY 52 Ca 0.30 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.04 -0.25 -0.23 1.61 2.19 -1.20 -4.36 117.98 113.71 1cye s PHE 53 Ca 0.51 0.59 0.02 0.00 0.33 0.00 0.00 56.93 58.38 1cye s PHE 53 Cb 0.34 0.43 0.05 0.00 -1.31 0.00 0.00 43.02 42.54 1cye s PHE 53 CO 0.23 -0.13 -0.09 0.08 1.83 0.00 0.00 175.22 177.13 1cye s VAL 54 N -0.02 1.79 -0.51 3.12 1.01 0.52 -2.20 120.40 124.12 1cye s VAL 54 Ca 0.05 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 1cye s VAL 54 Cb -0.04 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.51 1cye s VAL 54 CO -0.10 0.03 0.44 -0.63 0.00 0.00 0.00 175.10 174.84 1cye s ILE 55 N 1.30 5.09 -0.12 2.22 1.01 -0.38 -0.67 121.20 129.64 1cye s ILE 55 Ca -0.05 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.24 1cye s ILE 55 Cb -0.18 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1cye s ILE 55 CO -0.07 -0.76 -0.22 -0.55 0.00 0.00 0.00 174.94 173.34 1cye s SER 56 N 3.15 3.18 0.11 3.58 0.15 0.32 0.32 113.70 124.52 1cye s SER 56 Ca 0.04 -0.55 -0.30 0.00 0.70 0.00 0.00 55.95 55.83 1cye s SER 56 Cb -0.28 -1.44 -0.07 0.00 -1.71 0.00 0.00 66.02 62.53 1cye s SER 56 CO 0.04 0.13 1.18 -0.62 1.20 0.00 0.00 173.24 175.17 1cye s ASP 57 N 0.51 7.12 0.23 5.45 -1.08 -0.01 0.01 116.67 128.91 1cye s ASP 57 Ca -0.14 2.08 -0.06 0.00 -0.52 0.00 0.00 52.55 53.91 1cye s ASP 57 Cb -0.17 -2.59 0.36 0.00 -1.46 0.00 0.00 42.92 39.06 1cye s ASP 57 CO 0.05 -0.40 1.77 -0.25 0.52 0.00 0.00 175.17 176.86 1cye h TRP 58 N 6.10 0.62 -2.87 -5.34 2.91 -1.15 -2.96 115.95 113.26 1cye h TRP 58 Ca -0.43 0.03 -0.69 0.00 1.13 0.00 0.00 58.89 58.93 1cye h TRP 58 Cb 1.21 -0.17 -0.19 0.00 -0.51 0.00 0.00 29.16 29.51 1cye h TRP 58 CO 0.65 0.20 0.20 1.21 -1.03 0.00 0.00 178.44 179.67 1cye s ASN 59 N -5.47 6.20 -0.01 2.65 2.47 -1.26 -1.09 114.94 118.44 1cye s ASN 59 Ca -0.13 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.74 1cye s ASN 59 Cb 0.19 -2.32 0.01 0.00 -1.45 0.00 0.00 41.25 37.67 1cye s ASN 59 CO 0.76 -1.15 0.01 -0.04 -3.72 0.00 0.00 177.10 172.96 1cye s MET 60 N 2.85 0.00 0.49 0.43 -1.94 -1.26 -4.51 119.30 115.37 1cye s MET 60 Ca 0.14 0.05 -0.23 0.00 -1.71 0.00 0.00 55.69 53.93 1cye s MET 60 Cb -0.22 -0.08 -0.07 0.00 2.01 0.00 0.00 34.83 36.47 1cye s MET 60 CO 0.06 -0.04 1.33 -1.25 -0.01 0.00 0.00 175.02 175.10 1cye s PRO 61 N 0.29 3.48 0.00 2.03 0.04 -1.26 -3.08 135.00 136.50 1cye s PRO 61 Ca -0.02 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1cye s PRO 61 Cb -0.04 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1cye s PRO 61 CO -0.01 -0.90 0.00 0.09 0.04 0.00 0.00 177.00 176.23 1cye n ASN 62 N -0.59 0.00 -4.07 6.66 3.02 -1.26 -4.41 115.26 114.61 1cye n ASN 62 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 1cye n ASN 62 Cb 0.45 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.74 1.19 3.52 1.75 -1.26 -5.05 119.30 121.19 1cye s MET 63 Ca 0.00 -1.84 -0.16 0.00 -1.25 0.00 0.00 55.69 52.44 1cye s MET 63 Cb 0.00 -3.38 0.28 0.00 2.84 0.00 0.00 34.83 34.58 1cye s MET 63 CO 0.00 -0.99 1.04 0.16 -0.65 0.00 0.00 175.02 174.58 1cye s ASP 64 N 1.33 0.89 0.13 1.11 1.47 -1.18 -1.44 116.67 118.99 1cye s ASP 64 Ca 0.09 1.09 -0.26 0.00 1.18 0.00 0.00 52.55 54.65 1cye s ASP 64 Cb -0.21 -1.65 -0.03 0.00 -0.34 0.00 0.00 42.92 40.69 1cye s ASP 64 CO -0.06 -4.19 1.61 1.23 0.68 0.00 0.00 175.17 174.44 1cye h GLY 65 N -2.62 -0.46 0.96 2.12 0.00 -0.93 -0.14 103.07 102.00 1cye h GLY 65 Ca -0.53 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.20 1cye h GLY 65 CO 0.45 -0.22 0.66 -2.00 0.00 0.00 0.00 176.54 175.42 1cye h LEU 66 N -0.42 1.12 -0.59 3.11 5.85 -1.86 -1.45 115.31 121.07 1cye h LEU 66 Ca 0.08 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1cye h LEU 66 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1cye h LEU 66 CO -0.31 0.79 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.42 1cye h GLU 67 N 1.31 1.04 -0.46 1.25 4.81 -1.73 -2.70 114.58 118.10 1cye h GLU 67 Ca 0.38 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1cye h GLU 67 Cb -0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1cye h GLU 67 CO -0.10 1.06 0.30 1.25 -0.73 0.00 0.00 179.01 180.79 1cye h LEU 68 N 0.93 0.54 -0.66 1.64 5.85 -0.29 -2.73 115.31 120.60 1cye h LEU 68 Ca 0.15 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1cye h LEU 68 Cb 0.64 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1cye h LEU 68 CO 0.04 0.40 0.22 0.25 -0.34 0.00 0.00 178.44 179.01 1cye h LEU 69 N 0.63 0.17 -0.23 2.25 5.85 -1.02 -1.14 115.31 121.81 1cye h LEU 69 Ca 0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1cye h LEU 69 Cb -0.05 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1cye h LEU 69 CO -0.04 0.08 0.15 0.11 -0.34 0.00 0.00 178.44 178.40 1cye h LYS 70 N 0.37 0.30 -0.76 1.25 1.57 -1.29 -0.65 116.57 117.36 1cye h LYS 70 Ca 0.35 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1cye h LYS 70 Cb 0.49 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1cye h LYS 70 CO -0.37 0.22 0.42 1.79 -0.57 0.00 0.00 179.45 180.94 1cye h THR 71 N 0.30 1.22 0.29 -0.16 1.35 -0.94 0.12 112.91 115.09 1cye h THR 71 Ca 0.08 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1cye h THR 71 Cb -0.02 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 1cye h THR 71 CO -0.02 0.25 -0.14 0.40 -0.25 0.00 0.00 175.52 175.76 1cye h ILE 72 N 1.06 0.70 -0.93 6.82 2.04 -0.84 -2.41 117.51 123.96 1cye h ILE 72 Ca 0.27 -0.68 0.12 0.00 1.00 0.00 0.00 64.86 65.57 1cye h ILE 72 Cb 0.02 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 1cye h ILE 72 CO -0.04 0.13 0.55 0.03 0.00 0.00 0.00 178.15 178.82 1cye h ARG 73 N -0.78 0.83 -0.03 2.37 2.47 -0.82 -1.24 114.38 117.19 1cye h ARG 73 Ca -0.04 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 1cye h ARG 73 Cb 0.51 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1cye h ARG 73 CO 0.06 0.55 -0.46 0.00 0.56 0.00 0.00 179.97 180.68 1cye h ALA 74 N 1.53 1.18 -1.46 0.04 0.00 -0.97 -3.41 119.26 116.16 1cye h ALA 74 Ca 0.47 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 54.34 1cye h ALA 74 Cb 0.51 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1cye h ALA 74 CO -0.29 0.60 1.07 0.34 0.00 0.00 0.00 179.25 180.97 1cye s ASP 75 N -6.89 6.40 0.00 0.00 2.15 -0.47 -4.95 116.67 112.90 1cye s ASP 75 Ca -0.03 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.65 1cye s ASP 75 Cb 0.14 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1cye s ASP 75 CO 0.75 -1.46 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1cye n GLY 76 N 5.94 0.00 0.29 2.66 0.00 -1.26 -0.43 105.19 112.38 1cye n GLY 76 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1cye n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye h ALA 77 N 0.00 1.00 0.00 4.61 0.00 -1.92 -2.68 119.26 120.26 1cye h ALA 77 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1cye h ALA 77 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1cye h ALA 77 CO 0.00 0.24 -0.10 0.52 0.00 0.00 0.00 179.25 179.91 1cye h MET 78 N 0.90 0.00 -0.37 0.00 2.86 -0.99 -2.64 114.93 114.69 1cye h MET 78 Ca 0.31 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 1cye h MET 78 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1cye h MET 78 CO -0.13 0.10 0.40 0.66 1.06 0.00 0.00 176.91 179.00 1cye h SER 79 N 0.00 0.00 1.07 1.22 4.64 -1.19 -1.04 113.55 118.26 1cye h SER 79 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1cye h SER 79 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1cye h SER 79 CO 0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.82 1cye h ALA 80 N 1.55 1.00 -2.33 5.18 0.00 -1.67 -3.43 119.26 119.56 1cye h ALA 80 Ca 0.17 -0.14 -0.66 0.00 0.00 0.00 0.00 54.91 54.28 1cye h ALA 80 Cb 0.97 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 1cye h ALA 80 CO -0.00 0.19 -0.04 -0.48 0.00 0.00 0.00 179.25 178.92 1cye s LEU 81 N -6.55 4.57 0.38 0.00 0.05 -0.39 -5.03 118.68 111.70 1cye s LEU 81 Ca 0.01 -0.35 -0.24 0.00 0.05 0.00 0.00 54.13 53.61 1cye s LEU 81 Cb 0.09 -2.57 -0.13 0.00 -2.05 0.00 0.00 46.19 41.53 1cye s LEU 81 CO 0.62 -0.62 0.70 -0.81 -0.55 0.00 0.00 176.35 175.69 1cye n PRO 82 N 5.88 0.78 -4.18 1.48 -0.04 -1.26 -4.71 135.00 132.95 1cye n PRO 82 Ca -0.04 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 1cye n PRO 82 Cb 0.48 -1.61 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1cye n PRO 82 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cye s VAL 83 N -1.33 2.48 -0.26 0.52 1.01 -1.26 -0.35 120.40 121.20 1cye s VAL 83 Ca 0.63 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1cye s VAL 83 Cb -0.64 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1cye s VAL 83 CO 0.58 0.51 -0.01 -0.22 0.00 0.00 0.00 175.10 175.96 1cye s LEU 84 N 1.22 3.39 -0.41 3.92 2.96 0.16 -0.83 118.68 129.09 1cye s LEU 84 Ca 0.03 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 52.93 1cye s LEU 84 Cb -0.14 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1cye s LEU 84 CO -0.08 -0.14 0.77 -0.04 -1.32 0.00 0.00 176.35 175.55 1cye s MET 85 N 1.40 3.57 -0.71 1.98 -1.94 -0.54 -0.52 119.30 122.55 1cye s MET 85 Ca 0.01 0.08 -0.19 0.00 -1.71 0.00 0.00 55.69 53.88 1cye s MET 85 Cb -0.17 -3.87 0.11 0.00 2.01 0.00 0.00 34.83 32.91 1cye s MET 85 CO -0.02 -0.97 0.88 0.08 -0.01 0.00 0.00 175.02 174.97 1cye s VAL 86 N 3.16 4.73 -0.17 -6.03 1.01 0.10 -0.32 120.40 122.90 1cye s VAL 86 Ca 0.30 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1cye s VAL 86 Cb -0.13 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1cye s VAL 86 CO 0.20 -1.30 -0.03 0.28 0.00 0.00 0.00 175.10 174.25 1cye s THR 87 N 2.84 3.86 0.34 3.92 -1.32 -0.73 -0.51 115.64 124.04 1cye s THR 87 Ca 0.20 -0.36 0.12 0.00 -1.21 0.00 0.00 61.69 60.43 1cye s THR 87 Cb -0.17 -2.70 0.34 0.00 -1.51 0.00 0.00 72.50 68.46 1cye s THR 87 CO 0.02 0.48 1.75 0.00 -2.21 0.00 0.00 174.62 174.66 1cye h ALA 88 N 6.90 1.93 -3.41 11.08 0.00 -1.85 -2.86 119.26 131.04 1cye h ALA 88 Ca -0.32 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1cye h ALA 88 Cb 1.19 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 1cye h ALA 88 CO 0.62 -0.36 -0.58 -2.00 0.00 0.00 0.00 179.25 176.93 1cye s GLU 89 N -5.68 0.13 -1.15 0.00 2.12 -1.26 -4.26 118.70 108.59 1cye s GLU 89 Ca -0.10 0.20 -0.21 0.00 0.36 0.00 0.00 54.97 55.22 1cye s GLU 89 Cb 0.26 0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.74 1cye s GLU 89 CO 0.80 -0.04 1.62 0.00 -0.54 0.00 0.00 175.26 177.10 1cye s ALA 90 N 0.22 2.92 -0.17 6.30 0.00 -1.26 -4.95 121.76 124.82 1cye s ALA 90 Ca -0.01 -2.54 -0.09 0.00 0.00 0.00 0.00 51.96 49.32 1cye s ALA 90 Cb -0.02 -4.59 -0.05 0.00 0.00 0.00 0.00 23.12 18.46 1cye s ALA 90 CO -0.01 -3.58 0.13 0.15 0.00 0.00 0.00 175.76 172.45 1cye s LYS 91 N 4.76 3.89 0.27 0.00 1.02 -1.26 -5.02 119.74 123.40 1cye s LYS 91 Ca 0.52 -0.20 -0.06 0.00 0.02 0.00 0.00 55.97 56.24 1cye s LYS 91 Cb 0.02 -3.31 0.49 0.00 -0.52 0.00 0.00 37.83 34.50 1cye s LYS 91 CO -0.00 0.47 1.49 1.17 -0.92 0.00 0.00 175.35 177.56 1cye n LYS 92 N 2.95 -0.08 0.14 1.68 4.81 -1.26 -1.12 118.16 125.28 1cye n LYS 92 Ca -0.17 1.48 -0.13 0.00 -0.87 0.00 0.00 58.31 58.61 1cye n LYS 92 Cb 0.53 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 33.28 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cye h GLU 93 N 0.00 -0.34 -0.62 1.64 3.07 -1.99 -0.72 114.58 115.62 1cye h GLU 93 Ca 0.48 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.42 1cye h GLU 93 Cb 0.78 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.71 1cye h GLU 93 CO -0.97 -0.23 0.32 -0.91 -1.40 0.00 0.00 179.01 175.83 1cye h ASN 94 N -0.35 0.45 0.52 1.42 4.21 -1.49 0.34 115.58 120.69 1cye h ASN 94 Ca -0.01 0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 1cye h ASN 94 Cb 0.32 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1cye h ASN 94 CO -0.02 0.29 -0.31 0.40 -1.29 0.00 0.00 177.43 176.51 1cye h ILE 95 N 0.59 0.36 -0.06 2.81 2.04 -0.77 0.44 117.51 122.93 1cye h ILE 95 Ca 0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.17 1cye h ILE 95 Cb 0.21 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1cye h ILE 95 CO -0.20 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.28 1cye h ILE 96 N -0.79 0.80 -0.39 -0.67 2.04 -0.82 -1.64 117.51 116.05 1cye h ILE 96 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1cye h ILE 96 Cb 0.64 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1cye h ILE 96 CO 0.07 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.27 1cye h ALA 97 N 0.94 0.40 -0.15 1.87 0.00 -0.80 -0.74 119.26 120.78 1cye h ALA 97 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1cye h ALA 97 Cb 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cye h ALA 97 CO -0.12 -0.35 0.07 0.00 0.00 0.00 0.00 179.25 178.85 1cye h ALA 98 N 1.31 0.17 -0.22 0.00 0.00 -0.59 -2.32 119.26 117.61 1cye h ALA 98 Ca 0.19 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1cye h ALA 98 Cb 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1cye h ALA 98 CO -0.27 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 178.71 1cye h ALA 99 N 1.08 0.26 -0.79 0.00 0.00 -0.69 -1.76 119.26 117.36 1cye h ALA 99 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1cye h ALA 99 Cb 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1cye h ALA 99 CO -0.05 -0.30 0.45 1.96 0.00 0.00 0.00 179.25 181.30 1cye h GLN 100 N 0.23 0.75 -0.00 0.00 4.20 -0.88 -2.14 115.11 117.27 1cye h GLN 100 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1cye h GLN 100 Cb 0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1cye h GLN 100 CO -0.06 0.49 -0.01 0.00 -0.67 0.00 0.00 178.83 178.58 1cye n ALA 101 N -2.37 2.65 0.00 3.87 0.00 -0.90 -4.91 120.51 118.85 1cye n ALA 101 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1cye n ALA 101 Cb 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1cye n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 102 N 1.08 1.21 3.69 0.00 0.00 -0.80 -4.31 105.19 106.06 1cye n GLY 102 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 3.72 0.16 4.61 0.00 -0.69 -4.78 121.76 122.79 1cye s ALA 103 Ca 0.00 1.30 0.26 0.00 0.00 0.00 0.00 51.96 53.52 1cye s ALA 103 Cb 0.00 -3.71 1.08 0.00 0.00 0.00 0.00 23.12 20.49 1cye s ALA 103 CO 0.00 -1.11 1.89 0.77 0.00 0.00 0.00 175.76 177.31 1cye h SER 104 N 8.23 0.00 0.00 0.00 0.02 -1.32 -3.43 113.55 117.05 1cye h SER 104 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1cye h SER 104 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1cye h SER 104 CO 0.93 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 1cye n GLY 105 N 0.03 -1.63 3.09 -3.77 0.00 -1.12 -4.80 105.19 96.99 1cye n GLY 105 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1cye n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cye s TYR 106 N -2.03 -0.37 -0.17 1.61 1.13 -1.26 -1.46 117.35 114.79 1cye s TYR 106 Ca 0.00 0.85 -0.01 0.00 -1.41 0.00 0.00 57.07 56.50 1cye s TYR 106 Cb 0.00 0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1cye s TYR 106 CO 0.00 -0.24 -0.13 0.54 -2.51 0.00 0.00 175.55 173.21 1cye s VAL 107 N 1.23 2.82 -0.08 -3.49 0.11 0.57 -4.92 120.40 116.64 1cye s VAL 107 Ca -0.09 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 1cye s VAL 107 Cb -0.10 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1cye s VAL 107 CO -0.09 0.49 1.10 -0.69 -3.33 0.00 0.00 175.10 172.59 1cye s VAL 108 N 1.03 4.53 0.00 2.04 1.01 -1.25 -1.77 120.40 125.98 1cye s VAL 108 Ca -0.01 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 1cye s VAL 108 Cb -0.15 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1cye s VAL 108 CO -0.03 0.00 0.43 -1.59 0.00 0.00 0.00 175.10 173.92 1cye s LYS 109 N 2.08 3.99 -0.07 2.72 -2.85 -1.08 -2.77 119.74 121.76 1cye s LYS 109 Ca 0.52 0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 55.65 1cye s LYS 109 Cb -0.21 -3.24 -0.03 0.00 -2.06 0.00 0.00 37.83 32.29 1cye s LYS 109 CO 0.20 0.64 1.15 -1.25 0.10 0.00 0.00 175.35 176.19 1cye s PRO 110 N -0.95 4.37 0.02 1.78 0.04 -1.26 -4.62 135.00 134.37 1cye s PRO 110 Ca 0.25 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1cye s PRO 110 Cb -0.17 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1cye s PRO 110 CO 0.14 -0.41 -0.04 -0.59 0.04 0.00 0.00 177.00 176.13 1cye s PHE 111 N 2.14 2.94 0.48 0.56 -0.71 -1.12 -5.13 117.98 117.14 1cye s PHE 111 Ca 0.54 -0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.48 1cye s PHE 111 Cb -0.23 -1.61 0.03 0.00 -1.21 0.00 0.00 43.02 40.00 1cye s PHE 111 CO 0.21 0.41 0.66 0.95 -1.34 0.00 0.00 175.22 176.11 1cye s THR 112 N -1.06 2.79 0.31 -4.49 -4.23 -1.26 -4.91 115.64 102.80 1cye s THR 112 Ca 0.19 -0.89 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1cye s THR 112 Cb -0.11 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.13 1cye s THR 112 CO 0.09 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.00 1cye h ALA 113 N 0.40 1.68 -0.28 3.99 0.00 -1.99 0.58 119.26 123.64 1cye h ALA 113 Ca -0.39 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1cye h ALA 113 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1cye h ALA 113 CO 0.46 0.03 0.07 0.00 0.00 0.00 0.00 179.25 179.82 1cye h ALA 114 N 1.59 0.37 -0.30 0.00 0.00 -1.95 0.74 119.26 119.70 1cye h ALA 114 Ca 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1cye h ALA 114 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1cye h ALA 114 CO -0.28 0.02 0.09 1.15 0.00 0.00 0.00 179.25 180.22 1cye h THR 115 N 0.28 1.21 -0.06 0.00 2.02 -1.72 -1.09 112.91 113.55 1cye h THR 115 Ca 0.09 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1cye h THR 115 Cb 0.27 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1cye h THR 115 CO -0.00 0.22 -0.10 0.25 0.37 0.00 0.00 175.52 176.26 1cye h LEU 116 N 0.32 -0.31 -0.29 2.58 5.85 -0.64 -2.75 115.31 120.06 1cye h LEU 116 Ca 0.10 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1cye h LEU 116 Cb 0.26 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1cye h LEU 116 CO -0.00 -0.14 0.13 -0.08 -0.34 0.00 0.00 178.44 178.00 1cye h GLU 117 N -0.15 0.27 -0.78 1.25 4.81 -0.64 -1.99 114.58 117.36 1cye h GLU 117 Ca 0.06 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.45 1cye h GLU 117 Cb 0.23 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.42 1cye h GLU 117 CO -0.15 0.18 0.02 1.49 -0.73 0.00 0.00 179.01 179.82 1cye h GLU 118 N 0.28 0.10 -0.07 1.92 4.81 -0.91 -0.28 114.58 120.43 1cye h GLU 118 Ca 0.13 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1cye h GLU 118 Cb 0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1cye h GLU 118 CO -0.10 0.07 -0.14 0.87 -0.73 0.00 0.00 179.01 178.98 1cye h LYS 119 N 0.11 0.21 -0.59 1.92 1.79 -1.19 -3.20 116.57 115.62 1cye h LYS 119 Ca 0.43 -0.14 0.07 0.00 -2.18 0.00 0.00 60.65 58.83 1cye h LYS 119 Cb 0.77 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.38 1cye h LYS 119 CO -0.68 0.73 0.28 -0.07 -1.08 0.00 0.00 179.45 178.63 1cye h LEU 120 N -0.27 0.37 0.09 2.94 3.38 -0.61 -2.70 115.31 118.50 1cye h LEU 120 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1cye h LEU 120 Cb 0.73 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1cye h LEU 120 CO 0.03 0.24 -0.34 0.78 0.09 0.00 0.00 178.44 179.24 1cye h ASN 121 N 0.52 -0.99 -0.51 -0.43 4.21 -1.14 -2.66 115.58 114.58 1cye h ASN 121 Ca 0.28 0.12 0.09 0.00 1.21 0.00 0.00 56.30 57.99 1cye h ASN 121 Cb 0.24 0.38 -0.07 0.00 -1.12 0.00 0.00 38.32 37.75 1cye h ASN 121 CO -0.22 -0.42 0.09 0.50 -1.29 0.00 0.00 177.43 176.10 1cye h LYS 122 N -0.55 0.22 -0.63 0.81 3.64 -1.48 -2.64 116.57 115.94 1cye h LYS 122 Ca 0.04 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1cye h LYS 122 Cb 0.59 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1cye h LYS 122 CO -0.22 0.15 0.35 0.82 -2.27 0.00 0.00 179.45 178.28 1cye h ILE 123 N 0.23 0.98 -0.69 2.00 2.04 -1.17 -1.20 117.51 119.69 1cye h ILE 123 Ca 0.26 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1cye h ILE 123 Cb 0.35 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1cye h ILE 123 CO -0.34 0.12 0.46 -0.26 0.00 0.00 0.00 178.15 178.13 1cye h PHE 124 N 0.65 0.85 0.00 1.37 0.04 -1.17 0.08 116.94 118.76 1cye h PHE 124 Ca 0.28 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.96 1cye h PHE 124 Cb 0.15 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.03 1cye h PHE 124 CO -0.08 0.52 -0.41 1.49 -0.60 0.00 0.00 178.31 179.23 1cye h GLU 125 N 0.90 0.27 0.00 1.51 4.81 -1.40 -2.50 114.58 118.18 1cye h GLU 125 Ca 0.26 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1cye h GLU 125 Cb -0.04 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1cye h GLU 125 CO -0.06 1.01 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.94 1cye h LYS 126 N -0.35 0.00 -0.10 1.92 3.64 -0.75 -2.15 116.57 118.79 1cye h LYS 126 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1cye h LYS 126 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1cye h LYS 126 CO 0.08 0.06 0.00 1.28 -2.27 0.00 0.00 179.45 178.60 1cye n LEU 127 N -4.33 1.87 -1.43 5.20 4.32 -0.03 -4.97 117.00 117.64 1cye n LEU 127 Ca -0.03 -0.70 -0.16 0.00 -0.02 0.00 0.00 56.01 55.11 1cye n LEU 127 Cb 0.14 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 41.84 1cye n LEU 127 CO 0.34 0.35 -0.17 0.61 -1.22 0.00 0.00 177.39 177.29 1cye n GLY 128 N 1.20 0.93 0.00 -0.72 0.00 -0.81 -5.07 105.19 100.72 1cye n GLY 128 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35