#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hal n TYR 8 N 0.00 0.20 0.27 -2.53 4.01 -1.26 -4.73 117.16 113.12 3hal n TYR 8 Ca 0.00 -0.54 -0.16 0.00 -0.16 0.00 0.00 57.90 57.04 3hal n TYR 8 Cb 0.00 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 3hal n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hal h LYS 9 N 0.79 -0.61 -6.27 -0.72 1.57 -2.03 -3.43 116.57 105.86 3hal h LYS 9 Ca 0.00 0.04 -0.54 0.00 -1.87 0.00 0.00 60.65 58.28 3hal h LYS 9 Cb 0.64 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3hal h LYS 9 CO 0.01 -0.39 -0.29 -0.51 -0.57 0.00 0.00 179.45 177.69 3hal s LEU 10 N -10.04 4.20 0.86 2.94 1.43 -1.26 -5.05 118.68 111.75 3hal s LEU 10 Ca -0.16 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3hal s LEU 10 Cb 0.04 -3.26 0.11 0.00 0.03 0.00 0.00 46.19 43.10 3hal s LEU 10 CO 0.62 -0.06 1.10 -2.84 0.23 0.00 0.00 176.35 175.40 3hal s PRO 11 N -3.29 1.54 0.08 1.29 0.02 -1.26 -4.72 135.00 128.66 3hal s PRO 11 Ca 0.40 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.58 3hal s PRO 11 Cb -0.11 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 3hal s PRO 11 CO 0.29 -2.14 -0.08 0.15 -0.33 0.00 0.00 177.00 174.90 3hal s LYS 12 N -4.83 0.75 -0.05 5.54 -0.14 0.25 -4.05 119.74 117.21 3hal s LYS 12 Ca 0.63 -1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 53.98 3hal s LYS 12 Cb -0.19 -0.29 -0.05 0.00 -1.68 0.00 0.00 37.83 35.62 3hal s LYS 12 CO 0.57 0.02 0.32 -0.51 -0.76 0.00 0.00 175.35 174.99 3hal s LEU 13 N -2.51 4.43 -0.44 3.17 1.43 0.52 -1.15 118.68 124.13 3hal s LEU 13 Ca 0.04 0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 3hal s LEU 13 Cb -0.01 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.86 3hal s LEU 13 CO -0.02 0.33 0.33 -0.76 0.23 0.00 0.00 176.35 176.46 3hal s LEU 14 N -0.95 5.35 -0.17 1.79 1.43 -1.26 0.30 118.68 125.18 3hal s LEU 14 Ca 0.21 -1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 51.83 3hal s LEU 14 Cb -0.15 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3hal s LEU 14 CO 0.10 -0.57 0.36 -0.47 0.23 0.00 0.00 176.35 175.99 3hal s TYR 15 N 1.56 3.44 -0.25 0.29 5.04 -0.17 -1.33 117.35 125.93 3hal s TYR 15 Ca 0.04 0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 55.23 3hal s TYR 15 Cb -0.23 -2.44 -0.04 0.00 0.35 0.00 0.00 41.96 39.61 3hal s TYR 15 CO 0.05 0.15 0.11 0.00 -1.34 0.00 0.00 175.55 174.51 3hal h SER 17 N 8.07 0.00 0.66 0.00 4.64 -1.75 -0.51 113.55 124.65 3hal h SER 17 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3hal h SER 17 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3hal h SER 17 CO 0.59 0.00 -0.46 -1.13 -0.87 0.00 0.00 176.83 174.96 3hal h ASN 18 N 0.00 -1.19 -0.01 4.97 -1.24 -1.86 -3.32 115.58 112.94 3hal h ASN 18 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3hal h ASN 18 Cb 0.43 0.36 0.00 0.00 0.73 0.00 0.00 38.32 39.85 3hal h ASN 18 CO 0.00 -0.68 -0.07 0.61 -1.29 0.00 0.00 177.43 176.00 3hal n GLY 19 N -1.58 -0.49 1.68 1.57 0.00 -1.25 -4.82 105.19 100.31 3hal n GLY 19 Ca -0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 3hal n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hal n GLY 20 N 0.56 0.50 3.64 -0.02 0.00 -0.24 -5.01 105.19 104.62 3hal n GLY 20 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3hal n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hal s HIS 21 N -3.06 2.89 -0.08 1.61 3.76 -0.98 -4.47 115.29 114.96 3hal s HIS 21 Ca 0.06 -0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.73 3hal s HIS 21 Cb -0.03 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 3hal s HIS 21 CO 0.14 0.46 0.40 -0.06 -0.85 0.00 0.00 174.74 174.82 3hal s PHE 22 N -1.27 3.58 0.24 1.40 0.08 0.97 -0.22 117.98 122.76 3hal s PHE 22 Ca 0.24 0.85 -0.31 0.00 0.12 0.00 0.00 56.93 57.84 3hal s PHE 22 Cb -0.11 -2.39 -0.11 0.00 -0.57 0.00 0.00 43.02 39.84 3hal s PHE 22 CO 0.16 0.37 1.53 -1.17 -0.10 0.00 0.00 175.22 176.02 3hal s LEU 23 N -0.07 4.37 -0.05 -0.37 2.96 -0.44 -1.40 118.68 123.67 3hal s LEU 23 Ca 0.23 2.75 0.01 0.00 -0.22 0.00 0.00 54.13 56.90 3hal s LEU 23 Cb -0.15 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.94 3hal s LEU 23 CO 0.10 -0.81 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.66 3hal s ARG 24 N 0.07 1.01 -0.41 1.98 3.52 0.25 -4.46 118.95 120.91 3hal s ARG 24 Ca 0.64 -0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.99 3hal s ARG 24 Cb -0.44 -0.95 0.09 0.00 -1.56 0.00 0.00 34.95 32.09 3hal s ARG 24 CO 0.41 -0.05 0.23 0.42 -0.81 0.00 0.00 175.30 175.50 3hal s ILE 25 N 0.81 3.84 0.64 4.11 1.01 -0.78 -1.79 121.20 129.03 3hal s ILE 25 Ca -0.12 -1.61 -0.13 0.00 0.00 0.00 0.00 60.65 58.78 3hal s ILE 25 Cb -0.14 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3hal s ILE 25 CO 0.01 -0.54 1.06 -0.76 0.00 0.00 0.00 174.94 174.71 3hal s LEU 26 N 1.33 3.33 0.54 2.97 1.43 -0.09 -4.83 118.68 123.35 3hal s LEU 26 Ca 0.04 1.72 0.20 0.00 -1.03 0.00 0.00 54.13 55.05 3hal s LEU 26 Cb -0.23 -4.51 1.42 0.00 0.03 0.00 0.00 46.19 42.90 3hal s LEU 26 CO -0.00 -1.27 2.17 -0.65 0.23 0.00 0.00 176.35 176.83 3hal h PRO 27 N -0.08 0.00 -0.03 1.29 0.11 -1.99 -0.50 132.00 130.81 3hal h PRO 27 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hal h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hal h PRO 27 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3hal n ASP 28 N -4.35 0.34 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.11 3hal n ASP 28 Ca -0.03 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hal n ASP 28 Cb 0.10 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3hal n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hal n GLY 29 N 0.89 0.70 3.76 6.12 0.00 -0.20 -4.98 105.19 111.48 3hal n GLY 29 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3hal n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hal s THR 30 N -2.50 3.28 -0.12 2.61 2.01 -1.25 -0.56 115.64 119.10 3hal s THR 30 Ca 0.00 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.28 3hal s THR 30 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3hal s THR 30 CO 0.00 0.29 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.36 3hal s VAL 31 N -1.18 2.74 0.00 3.82 1.01 -1.26 -0.92 120.40 124.61 3hal s VAL 31 Ca 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3hal s VAL 31 Cb -0.34 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3hal s VAL 31 CO 0.44 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.17 3hal n ASP 32 N 3.51 0.00 -4.38 3.32 5.75 -0.74 -4.35 116.55 119.66 3hal n ASP 32 Ca -0.18 -0.29 -0.21 0.00 -0.01 0.00 0.00 54.79 54.10 3hal n ASP 32 Cb 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3hal n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hal s GLY 33 N -0.29 1.55 0.01 6.12 0.00 0.77 -0.58 107.32 114.91 3hal s GLY 33 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.06 3hal s GLY 33 CO 0.00 -1.74 -0.03 -1.08 0.00 0.00 0.00 173.10 170.24 3hal s THR 34 N -2.50 0.22 -1.82 0.90 -1.32 -0.50 -4.79 115.64 105.84 3hal s THR 34 Ca 0.22 -0.50 0.30 0.00 -1.21 0.00 0.00 61.69 60.50 3hal s THR 34 Cb -0.04 -0.27 0.63 0.00 -1.51 0.00 0.00 72.50 71.31 3hal s THR 34 CO 0.09 -0.18 2.00 0.54 -2.21 0.00 0.00 174.62 174.86 3hal n ARG 35 N 2.34 0.85 -2.90 7.08 1.74 -1.26 -0.02 116.66 124.49 3hal n ARG 35 Ca -0.18 -0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.28 3hal n ARG 35 Cb 0.57 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 3hal n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hal s ASP 36 N -2.29 6.24 0.19 0.55 2.15 -1.26 -4.90 116.67 117.36 3hal s ASP 36 Ca 0.36 -0.76 0.17 0.00 0.43 0.00 0.00 52.55 52.75 3hal s ASP 36 Cb 0.21 -2.41 0.81 0.00 -0.30 0.00 0.00 42.92 41.23 3hal s ASP 36 CO 0.42 -1.28 1.53 -1.14 -0.17 0.00 0.00 175.17 174.52 3hal n ARG 37 N 7.38 0.11 -0.04 4.34 0.63 -1.26 -1.84 116.66 125.98 3hal n ARG 37 Ca -0.02 0.48 0.12 0.00 -0.92 0.00 0.00 57.85 57.51 3hal n ARG 37 Cb 0.46 -1.77 0.27 0.00 0.45 0.00 0.00 32.46 31.86 3hal n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3hal n SER 38 N -1.99 2.52 -4.77 6.15 3.41 -1.26 -4.96 113.62 112.71 3hal n SER 38 Ca 0.01 -1.83 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 3hal n SER 38 Cb 0.11 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 3hal n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hal s ASP 39 N -1.86 6.41 0.09 4.04 -1.08 -0.77 -4.90 116.67 118.61 3hal s ASP 39 Ca 0.33 2.97 0.26 0.00 -0.52 0.00 0.00 52.55 55.59 3hal s ASP 39 Cb 0.20 -2.66 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 3hal s ASP 39 CO 0.31 -0.84 1.81 0.00 0.52 0.00 0.00 175.17 176.96 3hal n GLN 40 N 0.99 0.11 -0.68 4.34 10.64 -1.26 -3.68 117.38 127.83 3hal n GLN 40 Ca 0.03 0.14 0.05 0.00 -1.83 0.00 0.00 57.00 55.39 3hal n GLN 40 Cb 0.39 -1.64 0.30 0.00 -0.86 0.00 0.00 30.24 28.44 3hal n GLN 40 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3hal n HIS 41 N -1.83 1.49 0.26 2.61 8.25 -1.26 -4.27 115.22 120.47 3hal n HIS 41 Ca 0.06 -0.94 0.03 0.00 -0.26 0.00 0.00 57.72 56.61 3hal n HIS 41 Cb 0.34 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 31.04 3hal n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3hal n ILE 42 N -0.20 0.05 -2.75 1.59 -5.35 -1.24 -1.87 119.36 109.58 3hal n ILE 42 Ca 0.27 -0.52 -0.43 0.00 -0.27 0.00 0.00 62.75 61.80 3hal n ILE 42 Cb 1.06 1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 40.04 3hal n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hal s GLN 43 N -0.57 3.59 -0.12 6.28 -0.21 -1.26 -4.43 119.66 122.94 3hal s GLN 43 Ca 0.08 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.74 3hal s GLN 43 Cb 0.06 -3.92 -0.02 0.00 1.00 0.00 0.00 33.01 30.13 3hal s GLN 43 CO 0.08 -1.28 -0.14 -0.51 -2.12 0.00 0.00 175.29 171.33 3hal s LEU 44 N 3.97 2.69 -0.34 2.90 1.43 -0.30 -1.19 118.68 127.84 3hal s LEU 44 Ca 0.40 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 3hal s LEU 44 Cb -0.09 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 3hal s LEU 44 CO 0.28 0.18 0.50 -1.58 0.23 0.00 0.00 176.35 175.96 3hal s GLN 45 N 0.24 3.64 0.07 1.70 2.00 0.12 -0.59 119.66 126.84 3hal s GLN 45 Ca -0.09 -0.16 -0.16 0.00 -2.00 0.00 0.00 55.36 52.95 3hal s GLN 45 Cb -0.15 -3.80 -0.06 0.00 0.80 0.00 0.00 33.01 29.79 3hal s GLN 45 CO 0.05 -0.62 0.51 -0.51 -0.50 0.00 0.00 175.29 174.22 3hal s LEU 46 N 2.36 4.46 0.01 3.68 1.02 -1.26 -0.72 118.68 128.24 3hal s LEU 46 Ca 0.18 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.45 3hal s LEU 46 Cb -0.16 -2.89 -0.01 0.00 0.02 0.00 0.00 46.19 43.15 3hal s LEU 46 CO 0.13 0.25 -0.03 -0.94 0.02 0.00 0.00 176.35 175.78 3hal s SER 47 N -1.27 0.27 -0.10 2.29 1.04 -0.57 -4.77 113.70 110.59 3hal s SER 47 Ca 0.30 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 3hal s SER 47 Cb -0.17 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 3hal s SER 47 CO 0.17 -0.15 0.31 0.00 0.98 0.00 0.00 173.24 174.56 3hal s ALA 48 N -0.81 3.67 0.00 5.32 0.00 -1.26 -0.86 121.76 127.82 3hal s ALA 48 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3hal s ALA 48 Cb -0.06 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3hal s ALA 48 CO -0.00 0.30 0.00 -1.91 0.00 0.00 0.00 175.76 174.15 3hal n GLU 49 N 2.74 0.00 -1.36 0.00 4.07 -0.74 -4.94 120.64 120.41 3hal n GLU 49 Ca -0.14 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.68 3hal n GLU 49 Cb 0.53 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 32.07 3hal n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3hal s SER 50 N -1.00 2.87 -0.02 4.31 0.01 -1.26 -4.86 113.70 113.75 3hal s SER 50 Ca 0.00 0.99 -0.36 0.00 1.31 0.00 0.00 55.95 57.89 3hal s SER 50 Cb 0.00 -1.56 -0.14 0.00 0.21 0.00 0.00 66.02 64.53 3hal s SER 50 CO 0.00 -2.95 1.63 0.52 0.41 0.00 0.00 173.24 172.85 3hal n VAL 51 N -4.03 0.21 -0.96 3.43 0.31 -1.26 -1.23 118.33 114.80 3hal n VAL 51 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3hal n VAL 51 Cb 0.59 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3hal n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hal n GLY 52 N 3.61 0.70 3.62 2.92 0.00 -1.26 -5.02 105.19 109.75 3hal n GLY 52 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3hal n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hal s GLU 53 N -0.18 2.69 0.03 1.61 2.02 -0.37 -1.01 118.70 123.49 3hal s GLU 53 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3hal s GLU 53 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 3hal s GLU 53 CO 0.00 0.63 -0.04 0.14 0.02 0.00 0.00 175.26 176.01 3hal s VAL 54 N -0.96 0.22 0.12 2.63 -7.23 0.25 -1.79 120.40 113.65 3hal s VAL 54 Ca 0.16 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 3hal s VAL 54 Cb -0.11 -0.44 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 3hal s VAL 54 CO 0.06 -0.51 0.33 -0.31 -0.31 0.00 0.00 175.10 174.36 3hal s TYR 55 N -1.62 3.49 -0.22 2.82 2.02 -0.03 -1.27 117.35 122.53 3hal s TYR 55 Ca -0.13 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3hal s TYR 55 Cb -0.09 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.61 3hal s TYR 55 CO -0.01 0.47 -0.05 0.42 -1.57 0.00 0.00 175.55 174.81 3hal s ILE 56 N -1.64 1.44 -0.08 2.71 1.01 -1.26 -1.51 121.20 121.87 3hal s ILE 56 Ca 0.39 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3hal s ILE 56 Cb -0.12 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 3hal s ILE 56 CO 0.26 -0.06 -0.22 -0.75 0.00 0.00 0.00 174.94 174.18 3hal s LYS 57 N 1.45 2.82 0.02 2.79 2.20 0.11 -0.10 119.74 129.02 3hal s LYS 57 Ca -0.04 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.42 3hal s LYS 57 Cb -0.18 -2.30 -0.06 0.00 -1.51 0.00 0.00 37.83 33.78 3hal s LYS 57 CO -0.07 0.33 1.36 0.45 -0.36 0.00 0.00 175.35 177.06 3hal s SER 58 N -0.01 6.89 0.30 1.43 0.15 0.99 0.13 113.70 123.58 3hal s SER 58 Ca -0.07 2.11 0.08 0.00 0.70 0.00 0.00 55.95 58.77 3hal s SER 58 Cb -0.15 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 62.06 3hal s SER 58 CO 0.05 -0.67 1.70 0.71 1.20 0.00 0.00 173.24 176.23 3hal h THR 59 N 4.77 1.33 0.01 6.45 1.35 -1.48 0.16 112.91 125.50 3hal h THR 59 Ca -0.39 -1.61 -0.23 0.00 -0.55 0.00 0.00 66.41 63.63 3hal h THR 59 Cb 1.19 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3hal h THR 59 CO 0.88 0.47 -0.97 -0.08 -0.25 0.00 0.00 175.52 175.58 3hal h GLU 60 N 0.13 0.40 -0.00 4.72 4.57 -1.81 -3.36 114.58 119.24 3hal h GLU 60 Ca 0.01 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3hal h GLU 60 Cb 0.86 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3hal h GLU 60 CO 0.07 1.12 -0.12 0.25 -1.18 0.00 0.00 179.01 179.15 3hal n THR 61 N -3.73 0.00 -0.98 0.32 -2.24 -1.24 -5.01 114.28 101.41 3hal n THR 61 Ca -0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3hal n THR 61 Cb 0.85 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 3hal n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hal n GLY 62 N 0.84 0.38 3.79 3.38 0.00 0.04 -5.00 105.19 108.62 3hal n GLY 62 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hal n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hal s GLN 63 N -0.61 4.24 -0.11 1.61 -0.21 -1.25 -4.74 119.66 118.57 3hal s GLN 63 Ca 0.00 1.35 -0.10 0.00 0.02 0.00 0.00 55.36 56.63 3hal s GLN 63 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 3hal s GLN 63 CO 0.00 -0.05 0.21 0.71 -2.12 0.00 0.00 175.29 174.05 3hal s TYR 64 N -1.82 3.58 0.29 0.91 1.51 0.60 -0.01 117.35 122.41 3hal s TYR 64 Ca 0.58 0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 56.94 3hal s TYR 64 Cb -0.17 -2.10 -0.12 0.00 -0.11 0.00 0.00 41.96 39.46 3hal s TYR 64 CO 0.22 0.58 1.48 -0.11 -1.11 0.00 0.00 175.55 176.61 3hal n LEU 65 N 2.41 3.86 -4.02 -1.29 7.94 0.86 -1.05 117.00 125.71 3hal n LEU 65 Ca -0.17 1.16 -0.08 0.00 -1.11 0.00 0.00 56.01 55.81 3hal n LEU 65 Cb 0.54 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.87 3hal n LEU 65 CO 0.34 -0.15 -0.22 0.00 -1.11 0.00 0.00 177.39 176.25 3hal s ALA 66 N -0.27 0.32 -0.08 1.96 0.00 0.15 -4.34 121.76 119.51 3hal s ALA 66 Ca 0.63 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3hal s ALA 66 Cb -0.56 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3hal s ALA 66 CO 0.52 -0.48 -0.11 1.41 0.00 0.00 0.00 175.76 177.11 3hal s MET 67 N -3.94 1.61 0.59 0.00 1.75 -0.88 -0.80 119.30 117.62 3hal s MET 67 Ca 0.12 -0.35 -0.08 0.00 -1.25 0.00 0.00 55.69 54.12 3hal s MET 67 Cb 0.06 -1.43 0.13 0.00 2.84 0.00 0.00 34.83 36.43 3hal s MET 67 CO -0.06 -0.06 0.80 -0.40 -0.65 0.00 0.00 175.02 174.64 3hal n ASP 68 N 4.15 0.22 0.00 1.11 5.68 0.10 -4.85 116.55 122.96 3hal n ASP 68 Ca -0.20 -1.39 0.11 0.00 -0.50 0.00 0.00 54.79 52.81 3hal n ASP 68 Cb 0.51 -0.60 0.49 0.00 -1.14 0.00 0.00 41.12 40.38 3hal n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hal n THR 69 N -2.99 0.45 -0.11 2.12 -2.24 -1.26 -1.47 114.28 108.79 3hal n THR 69 Ca 0.10 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 3hal n THR 69 Cb 0.37 -0.74 0.26 0.00 -2.10 0.00 0.00 70.33 68.12 3hal n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hal n ASP 70 N -1.45 3.61 0.00 3.42 8.00 -1.26 -4.96 116.55 123.91 3hal n ASP 70 Ca 0.06 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.58 3hal n ASP 70 Cb 0.24 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3hal n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hal n GLY 71 N 1.42 0.69 3.73 0.44 0.00 -0.54 -4.51 105.19 106.41 3hal n GLY 71 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3hal n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hal s LEU 72 N 0.00 4.35 0.40 0.99 2.96 -1.26 -0.65 118.68 125.47 3hal s LEU 72 Ca 0.00 1.23 -0.24 0.00 -0.22 0.00 0.00 54.13 54.90 3hal s LEU 72 Cb 0.00 -3.09 -0.09 0.00 0.50 0.00 0.00 46.19 43.51 3hal s LEU 72 CO 0.00 -0.07 1.06 -0.76 -1.32 0.00 0.00 176.35 175.26 3hal s LEU 73 N 0.53 4.15 0.22 -0.68 1.43 -1.26 -0.72 118.68 122.34 3hal s LEU 73 Ca 0.37 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 3hal s LEU 73 Cb -0.18 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 41.87 3hal s LEU 73 CO 0.19 -0.50 0.44 -0.72 0.23 0.00 0.00 176.35 175.99 3hal s TYR 74 N -1.63 0.28 -0.16 0.29 1.13 0.02 -4.22 117.35 113.06 3hal s TYR 74 Ca 0.58 -0.64 -0.12 0.00 -1.41 0.00 0.00 57.07 55.48 3hal s TYR 74 Cb -0.23 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.76 3hal s TYR 74 CO 0.28 -0.92 0.23 0.20 -2.51 0.00 0.00 175.55 172.83 3hal s GLY 75 N -2.98 2.16 -0.09 5.49 0.00 0.27 -0.67 107.32 111.51 3hal s GLY 75 Ca 0.19 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3hal s GLY 75 CO 0.05 0.23 -0.14 -0.45 0.00 0.00 0.00 173.10 172.79 3hal s SER 76 N 0.19 4.00 0.36 1.64 0.15 -0.21 -4.79 113.70 115.04 3hal s SER 76 Ca 0.14 -0.26 0.11 0.00 0.70 0.00 0.00 55.95 56.64 3hal s SER 76 Cb -0.12 -1.19 0.68 0.00 -1.71 0.00 0.00 66.02 63.67 3hal s SER 76 CO 0.02 0.26 1.82 1.56 1.20 0.00 0.00 173.24 178.11 3hal h GLN 77 N 5.97 0.10 -6.56 5.44 1.08 -1.89 0.17 115.11 119.43 3hal h GLN 77 Ca -0.37 -0.04 -0.65 0.00 -1.45 0.00 0.00 58.65 56.15 3hal h GLN 77 Cb 1.18 -0.01 -0.16 0.00 -0.05 0.00 0.00 27.48 28.44 3hal h GLN 77 CO 0.53 0.42 -0.76 0.95 -0.95 0.00 0.00 178.83 179.02 3hal s THR 78 N -4.30 3.06 -1.42 -0.54 -4.23 -1.26 -4.75 115.64 102.21 3hal s THR 78 Ca -0.04 -1.57 -0.14 0.00 -1.18 0.00 0.00 61.69 58.77 3hal s THR 78 Cb 0.14 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.58 3hal s THR 78 CO 0.74 -0.01 2.13 -0.81 -0.54 0.00 0.00 174.62 176.13 3hal n PRO 79 N 0.40 2.99 -1.34 3.99 -0.05 -1.26 -4.78 135.00 134.95 3hal n PRO 79 Ca -0.13 -2.80 -0.20 0.00 -0.05 0.00 0.00 63.50 60.32 3hal n PRO 79 Cb 0.54 -3.25 0.14 0.00 -0.05 0.00 0.00 33.50 30.88 3hal n PRO 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3hal n SER 80 N 5.96 0.09 0.26 3.54 3.41 -1.26 -4.87 113.62 120.75 3hal n SER 80 Ca 0.50 -1.34 0.14 0.00 -0.26 0.00 0.00 58.87 57.90 3hal n SER 80 Cb 0.39 -0.71 0.65 0.00 -0.26 0.00 0.00 64.21 64.29 3hal n SER 80 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3hal h GLU 81 N 0.00 0.00 0.00 4.33 4.11 -1.99 -0.79 114.58 120.24 3hal h GLU 81 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3hal h GLU 81 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3hal h GLU 81 CO 0.21 0.12 0.00 0.39 0.07 0.00 0.00 179.01 179.80 3hal n GLU 82 N -3.35 0.10 0.00 1.06 4.71 -1.26 -3.17 120.64 118.72 3hal n GLU 82 Ca -0.01 0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.42 3hal n GLU 82 Cb 0.32 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.35 3hal n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hal s LEU 84 N -2.16 4.35 0.06 0.00 1.43 -1.19 -4.51 118.68 116.65 3hal s LEU 84 Ca 0.26 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 3hal s LEU 84 Cb 0.19 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3hal s LEU 84 CO 0.39 -0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.39 3hal s PHE 85 N 0.43 1.73 -0.38 0.29 0.08 -0.40 -1.42 117.98 118.32 3hal s PHE 85 Ca 0.34 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 3hal s PHE 85 Cb -0.18 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.27 3hal s PHE 85 CO 0.17 0.12 0.53 -0.51 -0.10 0.00 0.00 175.22 175.43 3hal s LEU 86 N -1.39 4.46 -0.23 -0.37 1.43 0.93 -0.58 118.68 122.92 3hal s LEU 86 Ca 0.06 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 3hal s LEU 86 Cb -0.09 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3hal s LEU 86 CO 0.02 -0.56 0.59 -0.70 0.23 0.00 0.00 176.35 175.93 3hal s GLU 87 N 2.45 4.14 -0.08 1.70 2.12 -0.18 -1.36 118.70 127.49 3hal s GLU 87 Ca 0.19 0.50 0.04 0.00 0.36 0.00 0.00 54.97 56.06 3hal s GLU 87 Cb -0.15 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3hal s GLU 87 CO 0.15 -0.31 -0.21 1.03 -0.54 0.00 0.00 175.26 175.38 3hal s ARG 88 N 2.16 2.50 0.07 4.30 1.81 -0.62 -4.84 118.95 124.33 3hal s ARG 88 Ca 0.26 -0.75 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 3hal s ARG 88 Cb -0.16 -1.98 -0.05 0.00 -0.45 0.00 0.00 34.95 32.31 3hal s ARG 88 CO 0.09 0.19 0.95 -1.17 -0.68 0.00 0.00 175.30 174.68 3hal s LEU 89 N 0.28 4.46 0.00 2.53 2.96 -1.26 -1.30 118.68 126.36 3hal s LEU 89 Ca -0.13 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 3hal s LEU 89 Cb -0.16 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 3hal s LEU 89 CO 0.06 -0.11 0.00 1.21 -1.32 0.00 0.00 176.35 176.19 3hal n GLU 90 N 3.08 2.46 -2.35 1.98 4.07 1.00 -4.95 120.64 125.93 3hal n GLU 90 Ca 0.03 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.77 3hal n GLU 90 Cb 0.50 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.86 3hal n GLU 90 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 3hal s GLU 91 N -0.45 3.71 -1.14 5.31 1.03 -1.26 -3.59 118.70 122.31 3hal s GLU 91 Ca 0.00 1.62 0.00 0.00 0.03 0.00 0.00 54.97 56.62 3hal s GLU 91 Cb 0.00 -2.26 0.00 0.00 -0.80 0.00 0.00 34.13 31.07 3hal s GLU 91 CO 0.00 -0.56 0.00 0.09 -1.33 0.00 0.00 175.26 173.46 3hal n ASN 92 N -0.74 -4.12 0.00 0.83 3.02 -1.26 -2.64 115.26 110.35 3hal n ASN 92 Ca 0.09 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3hal n ASN 92 Cb 0.50 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 3hal n ASN 92 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3hal n HIS 93 N -3.32 0.00 -2.45 3.10 8.25 -1.24 -4.97 115.22 114.59 3hal n HIS 93 Ca -0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.94 3hal n HIS 93 Cb 0.50 -1.23 -0.04 0.00 1.12 0.00 0.00 29.99 30.33 3hal n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3hal s TYR 94 N -1.54 3.38 0.21 4.41 2.02 -1.08 -4.59 117.35 120.15 3hal s TYR 94 Ca 0.00 1.65 0.09 0.00 -0.37 0.00 0.00 57.07 58.44 3hal s TYR 94 Cb 0.00 -3.27 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 3hal s TYR 94 CO 0.00 -0.75 -0.06 -0.80 -1.57 0.00 0.00 175.55 172.38 3hal s ASN 95 N -1.12 4.41 0.24 2.29 0.01 0.68 -0.00 114.94 121.44 3hal s ASN 95 Ca 0.51 -0.58 0.09 0.00 -0.71 0.00 0.00 52.86 52.17 3hal s ASN 95 Cb -0.29 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 3hal s ASN 95 CO 0.37 0.07 -0.02 0.42 -1.51 0.00 0.00 177.10 176.43 3hal s THR 96 N -1.91 3.45 -0.20 1.60 -4.23 -0.42 -0.52 115.64 113.41 3hal s THR 96 Ca 0.27 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3hal s THR 96 Cb -0.08 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 71.01 3hal s THR 96 CO 0.17 -0.29 0.01 -0.31 -0.54 0.00 0.00 174.62 173.66 3hal s TYR 97 N -2.13 1.36 -0.18 3.99 2.02 -1.26 -1.59 117.35 119.57 3hal s TYR 97 Ca 0.30 -1.08 -0.09 0.00 -0.37 0.00 0.00 57.07 55.83 3hal s TYR 97 Cb -0.07 -1.16 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3hal s TYR 97 CO 0.19 -0.65 0.11 0.99 -1.57 0.00 0.00 175.55 174.62 3hal s THR 98 N 1.74 5.26 -0.09 -0.71 2.01 -0.47 -0.45 115.64 122.94 3hal s THR 98 Ca -0.02 0.13 -0.37 0.00 0.31 0.00 0.00 61.69 61.75 3hal s THR 98 Cb -0.18 -3.37 -0.14 0.00 0.01 0.00 0.00 72.50 68.82 3hal s THR 98 CO -0.08 0.48 1.71 -0.24 -0.69 0.00 0.00 174.62 175.80 3hal n SER 99 N 3.23 2.75 -0.08 3.53 2.88 -0.22 -0.05 113.62 125.66 3hal n SER 99 Ca -0.17 1.05 -0.11 0.00 -1.33 0.00 0.00 58.87 58.31 3hal n SER 99 Cb 0.53 -1.27 -0.05 0.00 -0.75 0.00 0.00 64.21 62.67 3hal n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hal h LYS 100 N 7.31 0.40 -0.86 -1.46 3.64 -1.57 -0.72 116.57 123.32 3hal h LYS 100 Ca -0.47 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 58.86 3hal h LYS 100 Cb 1.30 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 3hal h LYS 100 CO 0.92 0.58 0.56 -0.22 -2.27 0.00 0.00 179.45 179.02 3hal h LYS 101 N 0.17 0.90 -0.50 1.90 3.64 -1.79 -2.77 116.57 118.12 3hal h LYS 101 Ca 0.07 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 3hal h LYS 101 Cb 0.40 -0.20 -0.16 0.00 -0.41 0.00 0.00 32.23 31.85 3hal h LYS 101 CO 0.01 0.59 0.05 0.72 -2.27 0.00 0.00 179.45 178.55 3hal n HIS 102 N -4.50 1.57 0.19 1.91 8.25 -1.15 -4.73 115.22 116.76 3hal n HIS 102 Ca 0.13 -1.73 0.03 0.00 -0.26 0.00 0.00 57.72 55.90 3hal n HIS 102 Cb 0.23 -0.60 0.39 0.00 1.12 0.00 0.00 29.99 31.13 3hal n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hal h ALA 103 N 1.07 1.38 0.00 -1.41 0.00 -0.82 -2.27 119.26 117.21 3hal h ALA 103 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hal h ALA 103 Cb 1.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3hal h ALA 103 CO 0.57 0.43 -0.14 1.05 0.00 0.00 0.00 179.25 181.16 3hal h GLU 104 N 0.00 0.00 -0.23 0.00 9.09 -1.85 -0.44 114.58 121.16 3hal h GLU 104 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hal h GLU 104 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3hal h GLU 104 CO 0.04 0.14 0.00 1.63 0.05 0.00 0.00 179.01 180.88 3hal n LYS 105 N -3.48 2.07 -3.80 1.06 5.02 -0.86 -4.98 118.16 113.18 3hal n LYS 105 Ca -0.01 -1.60 -0.25 0.00 -2.02 0.00 0.00 58.31 54.43 3hal n LYS 105 Cb 0.30 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3hal n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hal n ASN 106 N 0.84 -2.04 -4.57 4.39 3.02 -0.17 -4.94 115.26 111.79 3hal n ASN 106 Ca 0.17 -0.84 -0.43 0.00 -0.03 0.00 0.00 54.58 53.45 3hal n ASN 106 Cb 0.46 -3.84 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 3hal n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3hal s TRP 107 N -3.61 2.87 0.24 3.10 0.52 -1.20 -4.75 118.94 116.10 3hal s TRP 107 Ca 0.19 0.42 -0.06 0.00 0.02 0.00 0.00 56.10 56.68 3hal s TRP 107 Cb -0.10 -4.12 -0.06 0.00 -1.15 0.00 0.00 33.47 28.04 3hal s TRP 107 CO 0.83 -1.19 0.50 -0.06 0.02 0.00 0.00 176.95 177.05 3hal s PHE 108 N 4.00 3.46 0.16 -1.98 0.08 -1.26 -1.06 117.98 121.38 3hal s PHE 108 Ca 0.39 0.66 -0.31 0.00 0.12 0.00 0.00 56.93 57.79 3hal s PHE 108 Cb -0.09 -2.10 -0.11 0.00 -0.57 0.00 0.00 43.02 40.15 3hal s PHE 108 CO 0.27 0.27 1.71 0.08 -0.10 0.00 0.00 175.22 177.45 3hal s VAL 109 N -1.91 2.41 -0.05 -0.44 1.01 0.40 -4.32 120.40 117.50 3hal s VAL 109 Ca 0.44 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 3hal s VAL 109 Cb -0.11 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3hal s VAL 109 CO 0.26 0.01 0.34 -0.83 0.00 0.00 0.00 175.10 174.89 3hal s GLY 110 N 1.75 -0.21 -0.06 4.51 0.00 -1.26 -4.37 107.32 107.68 3hal s GLY 110 Ca 0.75 0.59 0.06 0.00 0.00 0.00 0.00 44.72 46.12 3hal s GLY 110 CO 0.33 0.40 -0.24 1.08 0.00 0.00 0.00 173.10 174.67 3hal s LEU 111 N -0.84 2.04 0.94 0.66 1.43 -0.71 -0.70 118.68 121.49 3hal s LEU 111 Ca -0.09 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3hal s LEU 111 Cb -0.04 -1.31 0.15 0.00 0.03 0.00 0.00 46.19 45.03 3hal s LEU 111 CO 0.03 0.22 1.10 -0.54 0.23 0.00 0.00 176.35 177.39 3hal s LYS 112 N -0.08 0.93 0.57 1.70 1.02 0.72 -4.52 119.74 120.08 3hal s LYS 112 Ca -0.05 0.57 0.33 0.00 0.02 0.00 0.00 55.97 56.84 3hal s LYS 112 Cb -0.14 -1.79 1.70 0.00 -0.52 0.00 0.00 37.83 37.08 3hal s LYS 112 CO 0.04 -2.40 2.14 0.87 -0.92 0.00 0.00 175.35 175.08 3hal h LYS 113 N -1.66 0.00 -0.33 1.68 1.57 -1.87 -1.32 116.57 114.63 3hal h LYS 113 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3hal h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hal h LYS 113 CO 0.58 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3hal n ASN 114 N -3.38 2.06 0.00 0.86 0.23 -1.26 -4.61 115.26 109.16 3hal n ASN 114 Ca -0.02 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3hal n ASN 114 Cb 0.20 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3hal n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hal n GLY 115 N 1.15 1.57 3.82 4.83 0.00 -0.50 -4.98 105.19 111.09 3hal n GLY 115 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3hal n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hal s SER 116 N -3.07 6.39 0.29 1.61 0.01 -1.26 -0.16 113.70 117.50 3hal s SER 116 Ca 0.00 1.71 -0.30 0.00 1.31 0.00 0.00 55.95 58.67 3hal s SER 116 Cb 0.00 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 3hal s SER 116 CO 0.00 -0.75 1.50 0.00 0.41 0.00 0.00 173.24 174.40 3hal s LYS 118 N -0.73 3.06 0.56 0.00 2.20 0.12 -4.64 119.74 120.31 3hal s LYS 118 Ca 0.64 -0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 55.09 3hal s LYS 118 Cb -0.55 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 31.69 3hal s LYS 118 CO 0.51 -0.97 1.33 1.03 -0.36 0.00 0.00 175.35 176.90 3hal s ARG 119 N 2.09 3.09 0.18 4.03 0.52 -1.26 -4.03 118.95 123.57 3hal s ARG 119 Ca 0.10 2.17 -0.20 0.00 -0.52 0.00 0.00 55.73 57.29 3hal s ARG 119 Cb -0.19 -2.20 0.12 0.00 0.52 0.00 0.00 34.95 33.20 3hal s ARG 119 CO 0.11 -1.21 1.38 0.41 0.02 0.00 0.00 175.30 176.01 3hal n GLY 120 N 0.73 -1.99 0.35 -3.53 0.00 0.18 -0.07 105.19 100.85 3hal n GLY 120 Ca 0.11 1.02 0.18 0.00 0.00 0.00 0.00 46.02 47.33 3hal n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hal h PRO 121 N 0.00 0.00 -0.02 1.61 0.11 -1.85 -0.90 132.00 130.95 3hal h PRO 121 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3hal h PRO 121 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3hal h PRO 121 CO -0.87 0.00 -0.16 0.54 -0.21 0.00 0.00 178.00 177.30 3hal n ARG 122 N -3.68 1.66 -2.62 1.05 5.12 0.89 -4.92 116.66 114.17 3hal n ARG 122 Ca 0.02 -1.25 -0.26 0.00 -1.93 0.00 0.00 57.85 54.43 3hal n ARG 122 Cb 0.38 -1.47 0.02 0.00 -1.16 0.00 0.00 32.46 30.22 3hal n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hal s THR 123 N -2.20 4.20 -0.23 0.55 -4.23 -0.34 -4.96 115.64 108.43 3hal s THR 123 Ca 0.27 -0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 3hal s THR 123 Cb 0.20 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 70.51 3hal s THR 123 CO 0.41 -0.58 0.84 -2.28 -0.54 0.00 0.00 174.62 172.47 3hal s HIS 124 N -2.80 -0.64 0.24 3.99 5.04 -1.26 -4.89 115.29 114.96 3hal s HIS 124 Ca 0.50 1.46 -0.31 0.00 -1.54 0.00 0.00 55.06 55.17 3hal s HIS 124 Cb -0.10 0.34 -0.14 0.00 0.04 0.00 0.00 32.58 32.72 3hal s HIS 124 CO 0.43 -0.36 1.34 0.98 -2.34 0.00 0.00 174.74 174.79 3hal n TYR 125 N 2.10 1.99 0.00 3.88 9.36 -1.26 -2.07 117.16 131.16 3hal n TYR 125 Ca -0.14 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3hal n TYR 125 Cb 0.56 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 3hal n TYR 125 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hal n GLY 126 N 2.01 1.59 3.80 2.98 0.00 -1.26 -5.07 105.19 109.24 3hal n GLY 126 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3hal n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hal s GLN 127 N -0.85 3.77 0.51 1.61 -0.21 -0.88 -4.94 119.66 118.67 3hal s GLN 127 Ca 0.00 1.34 0.30 0.00 0.02 0.00 0.00 55.36 57.02 3hal s GLN 127 Cb 0.00 -2.09 1.11 0.00 1.00 0.00 0.00 33.01 33.03 3hal s GLN 127 CO 0.00 -0.46 1.89 0.87 -2.12 0.00 0.00 175.29 175.48 3hal h LYS 128 N 1.45 0.00 0.00 2.91 1.57 -1.96 -3.25 116.57 117.29 3hal h LYS 128 Ca -0.49 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 3hal h LYS 128 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3hal h LYS 128 CO 0.59 0.06 -0.10 0.00 -0.57 0.00 0.00 179.45 179.43 3hal h ALA 129 N 1.94 1.49 -0.07 3.86 0.00 -1.92 -2.64 119.26 121.92 3hal h ALA 129 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hal h ALA 129 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hal h ALA 129 CO 0.01 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.82 3hal n ILE 130 N -3.92 0.06 -3.51 0.00 -5.35 -1.23 -1.74 119.36 103.67 3hal n ILE 130 Ca -0.02 -0.53 -0.39 0.00 -0.27 0.00 0.00 62.75 61.55 3hal n ILE 130 Cb 0.19 1.43 -0.10 0.00 -1.74 0.00 0.00 39.64 39.42 3hal n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hal s LEU 131 N -1.94 4.06 -0.10 7.28 1.43 -0.99 -4.26 118.68 124.14 3hal s LEU 131 Ca 0.29 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3hal s LEU 131 Cb 0.20 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3hal s LEU 131 CO 0.30 -0.11 -0.22 -0.36 0.23 0.00 0.00 176.35 176.19 3hal s PHE 132 N 1.88 2.40 -0.33 0.29 0.40 0.32 -3.42 117.98 119.52 3hal s PHE 132 Ca 0.10 -1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 55.27 3hal s PHE 132 Cb -0.16 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 3hal s PHE 132 CO 0.11 -0.44 0.25 -1.17 0.70 0.00 0.00 175.22 174.66 3hal s LEU 133 N 0.50 4.43 -0.05 -0.37 2.96 0.78 -0.23 118.68 126.71 3hal s LEU 133 Ca -0.16 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 3hal s LEU 133 Cb -0.17 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3hal s LEU 133 CO 0.06 -0.22 1.37 -2.84 -1.32 0.00 0.00 176.35 173.40 3hal s PRO 134 N 1.76 4.28 0.15 0.98 0.02 -1.26 -1.00 135.00 139.93 3hal s PRO 134 Ca 0.07 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.06 3hal s PRO 134 Cb -0.17 -3.65 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 3hal s PRO 134 CO 0.11 -0.60 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.53 3hal s LEU 135 N 2.74 2.86 0.56 -5.54 1.43 0.15 -4.90 118.68 115.97 3hal s LEU 135 Ca 0.62 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 3hal s LEU 135 Cb -0.29 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3hal s LEU 135 CO 0.24 0.13 1.12 -2.84 0.23 0.00 0.00 176.35 175.24 3hal s PRO 136 N -2.55 3.28 0.00 1.29 0.02 -1.26 -0.36 135.00 135.42 3hal s PRO 136 Ca 0.22 1.57 0.26 0.00 0.02 0.00 0.00 61.00 63.06 3hal s PRO 136 Cb -0.09 -2.00 0.58 0.00 0.02 0.00 0.00 34.50 33.01 3hal s PRO 136 CO 0.13 -0.90 1.48 1.33 -0.33 0.00 0.00 177.00 178.71