#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3r h TYR -19 N 0.00 -1.01 -0.84 7.33 3.20 -2.04 -0.77 116.97 122.84 1w3r h TYR -19 Ca 0.00 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.10 1w3r h TYR -19 Cb 0.00 0.44 -0.13 0.00 1.54 0.00 0.00 36.73 38.58 1w3r h TYR -19 CO 0.00 -0.46 0.27 -0.92 -1.64 0.00 0.00 178.16 175.41 1w3r h TYR -18 N -0.54 0.43 -0.03 -3.82 3.20 -2.05 0.44 116.97 114.59 1w3r h TYR -18 Ca 0.05 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1w3r h TYR -18 Cb 0.61 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1w3r h TYR -18 CO -0.36 -0.11 -0.08 1.25 -1.64 0.00 0.00 178.16 177.22 1w3r h HIS -17 N 0.30 0.14 -0.42 -3.82 2.76 -1.96 -1.58 115.15 110.57 1w3r h HIS -17 Ca 0.51 -0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.71 1w3r h HIS -17 Cb 0.96 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.80 1w3r h HIS -17 CO -0.22 0.68 -0.18 1.25 -1.30 0.00 0.00 177.93 178.17 1w3r h HIS -16 N -0.44 -0.43 -0.72 5.26 -0.00 -0.22 -0.08 115.15 118.52 1w3r h HIS -16 Ca -0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1w3r h HIS -16 Cb 0.68 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.31 1w3r h HIS -16 CO 0.13 -0.26 0.21 1.25 -0.00 0.00 0.00 177.93 179.26 1w3r h HIS -15 N -0.09 1.16 -0.70 5.26 6.17 -0.18 -0.97 115.15 125.80 1w3r h HIS -15 Ca 0.21 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1w3r h HIS -15 Cb 0.41 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 1w3r h HIS -15 CO -0.43 0.92 0.32 1.25 0.71 0.00 0.00 177.93 180.71 1w3r h HIS -14 N 1.07 1.02 -0.42 5.26 6.17 -0.87 -1.53 115.15 125.86 1w3r h HIS -14 Ca 0.23 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 1w3r h HIS -14 Cb 0.32 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 1w3r h HIS -14 CO 0.03 0.77 0.22 1.25 0.71 0.00 0.00 177.93 180.90 1w3r h HIS -13 N 0.98 0.60 -0.28 5.26 2.76 -0.63 -3.17 115.15 120.67 1w3r h HIS -13 Ca 0.24 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1w3r h HIS -13 Cb 0.14 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1w3r h HIS -13 CO 0.01 0.47 -0.16 0.45 -1.30 0.00 0.00 177.93 177.40 1w3r h HIS -12 N 0.55 0.53 0.29 5.26 3.86 -0.85 -3.51 115.15 121.27 1w3r h HIS -12 Ca 0.15 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1w3r h HIS -12 Cb 0.08 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1w3r h HIS -12 CO -0.02 0.63 -0.14 -0.07 0.86 0.00 0.00 177.93 179.19 1w3r h LEU -11 N 0.45 -0.33 -8.79 2.43 3.38 -1.27 -3.51 115.31 107.67 1w3r h LEU -11 Ca 0.08 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.64 1w3r h LEU -11 Cb 0.54 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.23 1w3r h LEU -11 CO 0.04 0.06 -0.74 -0.94 0.09 0.00 0.00 178.44 176.95 1w3r s SER 2 N -4.75 2.31 0.00 -0.43 1.04 -1.26 -5.11 113.70 105.50 1w3r s SER 2 Ca -0.06 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1w3r s SER 2 Cb 0.01 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1w3r s SER 2 CO 0.17 -0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.66 1w3r n ASP 3 N -0.17 0.00 -0.23 7.02 8.00 -1.26 -2.22 116.55 127.69 1w3r n ASP 3 Ca -0.10 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.42 1w3r n ASP 3 Cb 0.60 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.84 1w3r n ASP 3 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1w3r h PHE 4 N 0.00 0.49 -0.17 1.24 3.57 -2.09 -1.95 116.94 118.02 1w3r h PHE 4 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1w3r h PHE 4 Cb 0.00 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1w3r h PHE 4 CO 0.00 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 176.86 1w3r n TYR 5 N -4.96 0.20 -2.36 0.41 4.02 -0.94 -4.98 117.16 108.54 1w3r n TYR 5 Ca 0.11 -0.10 -0.25 0.00 -0.01 0.00 0.00 57.90 57.65 1w3r n TYR 5 Cb 0.32 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.69 1w3r n TYR 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1w3r s ASP 6 N -1.77 5.17 0.26 7.72 1.01 -0.74 -5.01 116.67 123.32 1w3r s ASP 6 Ca 0.34 0.46 -0.31 0.00 0.71 0.00 0.00 52.55 53.75 1w3r s ASP 6 Cb 0.21 -1.28 -0.13 0.00 1.01 0.00 0.00 42.92 42.73 1w3r s ASP 6 CO 0.31 -1.32 1.43 -2.65 0.21 0.00 0.00 175.17 173.14 1w3r n PRO 7 N -2.69 2.18 -3.92 8.23 -0.02 -1.26 -5.02 135.00 132.50 1w3r n PRO 7 Ca 0.07 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1w3r n PRO 7 Cb 0.59 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1w3r n PRO 7 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1w3r s ARG 8 N -0.61 0.66 0.06 -0.52 1.70 -1.26 -5.13 118.95 113.85 1w3r s ARG 8 Ca 0.66 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.78 1w3r s ARG 8 Cb -0.61 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 1w3r s ARG 8 CO 0.51 -0.18 1.08 -1.21 -1.08 0.00 0.00 175.30 174.43 1w3r s GLU 9 N -3.04 4.52 -0.06 3.89 0.41 -1.26 -5.07 118.70 118.10 1w3r s GLU 9 Ca -0.01 1.61 0.03 0.00 -0.41 0.00 0.00 54.97 56.18 1w3r s GLU 9 Cb 0.01 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.99 1w3r s GLU 9 CO -0.07 -0.10 -0.14 -0.98 -0.49 0.00 0.00 175.26 173.49 1w3r s ARG 10 N 0.75 1.83 -0.15 1.61 1.04 -1.26 -5.10 118.95 117.67 1w3r s ARG 10 Ca 0.54 -0.49 -0.29 0.00 -1.04 0.00 0.00 55.73 54.45 1w3r s ARG 10 Cb -0.26 -1.50 -0.02 0.00 -2.04 0.00 0.00 34.95 31.13 1w3r s ARG 10 CO 0.30 0.08 1.37 0.34 -0.04 0.00 0.00 175.30 177.34 1w3r s ASP 11 N 0.52 6.84 0.27 -2.89 -1.08 -1.26 -4.91 116.67 114.17 1w3r s ASP 11 Ca -0.13 1.79 0.21 0.00 -0.52 0.00 0.00 52.55 53.89 1w3r s ASP 11 Cb -0.15 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.79 1w3r s ASP 11 CO 0.04 -0.83 1.63 -0.81 0.52 0.00 0.00 175.17 175.71 1w3r n PRO 12 N 6.81 0.14 0.15 4.34 -0.04 -1.26 -2.33 135.00 142.81 1w3r n PRO 12 Ca 0.15 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 1w3r n PRO 12 Cb 0.44 -1.89 0.38 0.00 -0.04 0.00 0.00 33.50 32.40 1w3r n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w3r h SER 13 N 0.00 0.00 -3.89 3.54 4.64 -2.06 -3.46 113.55 112.31 1w3r h SER 13 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1w3r h SER 13 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1w3r h SER 13 CO 0.00 0.00 0.47 -0.69 -0.87 0.00 0.00 176.83 175.74 1w3r s VAL 14 N -3.20 3.45 0.08 0.95 1.01 -0.99 -4.98 120.40 116.72 1w3r s VAL 14 Ca 0.08 1.28 -0.37 0.00 0.00 0.00 0.00 61.98 62.97 1w3r s VAL 14 Cb 0.10 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.56 1w3r s VAL 14 CO 0.58 0.17 1.21 -0.24 0.00 0.00 0.00 175.10 176.83 1w3r n SER 15 N 0.50 1.05 -0.92 3.32 2.88 -1.26 -4.90 113.62 114.29 1w3r n SER 15 Ca 0.02 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 1w3r n SER 15 Cb 0.47 -1.11 0.22 0.00 -0.75 0.00 0.00 64.21 63.04 1w3r n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1w3r n ARG 16 N 2.07 2.23 -1.96 -1.46 5.12 -1.26 -4.99 116.66 116.42 1w3r n ARG 16 Ca 0.18 -1.82 -0.40 0.00 -1.93 0.00 0.00 57.85 53.88 1w3r n ARG 16 Cb 0.17 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1w3r n ARG 16 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1w3r s ARG 17 N -1.82 3.87 0.97 5.56 0.52 -1.26 -4.99 118.95 121.80 1w3r s ARG 17 Ca 0.33 2.26 -0.12 0.00 -0.52 0.00 0.00 55.73 57.69 1w3r s ARG 17 Cb 0.21 -2.73 0.17 0.00 0.52 0.00 0.00 34.95 33.13 1w3r s ARG 17 CO 0.31 -0.61 1.08 -1.25 0.02 0.00 0.00 175.30 174.85 1w3r s PRO 18 N -2.31 0.61 -1.58 3.54 0.04 -1.26 -4.12 135.00 129.91 1w3r s PRO 18 Ca 0.58 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.33 1w3r s PRO 18 Cb -0.40 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.52 1w3r s PRO 18 CO 0.52 -2.70 0.84 1.04 0.04 0.00 0.00 177.00 176.74 1w3r n GLN 19 N -4.20 -4.26 -1.42 4.56 6.02 -1.26 -1.57 117.38 115.25 1w3r n GLN 19 Ca 0.06 0.49 -0.15 0.00 -0.01 0.00 0.00 57.00 57.40 1w3r n GLN 19 Cb 0.55 -5.30 -0.06 0.00 1.02 0.00 0.00 30.24 26.45 1w3r n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1w3r n ASN 20 N -2.68 -5.42 -4.77 1.08 3.02 -1.26 -4.87 115.26 100.36 1w3r n ASN 20 Ca 0.05 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.63 1w3r n ASN 20 Cb 0.51 -4.20 0.04 0.00 -0.61 0.00 0.00 39.78 35.52 1w3r n ASN 20 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w3r s ARG 21 N -3.19 2.87 0.23 3.52 0.52 -0.61 -1.71 118.95 120.59 1w3r s ARG 21 Ca 0.00 1.50 0.09 0.00 -0.52 0.00 0.00 55.73 56.80 1w3r s ARG 21 Cb 0.00 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 1w3r s ARG 21 CO 0.00 -1.21 -0.14 -0.65 0.02 0.00 0.00 175.30 173.31 1w3r s GLN 22 N -3.85 1.44 0.77 3.54 -1.52 0.36 -4.67 119.66 115.74 1w3r s GLN 22 Ca 0.70 -1.66 -0.11 0.00 -1.95 0.00 0.00 55.36 52.34 1w3r s GLN 22 Cb -0.23 -1.27 0.06 0.00 -0.22 0.00 0.00 33.01 31.35 1w3r s GLN 22 CO 0.38 0.20 1.09 -1.54 -0.25 0.00 0.00 175.29 175.17 1w3r s SER 23 N -3.38 4.50 0.34 5.90 1.04 -1.26 -4.61 113.70 116.23 1w3r s SER 23 Ca 0.25 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.54 1w3r s SER 23 Cb -0.01 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.20 1w3r s SER 23 CO 0.09 -2.04 1.90 0.44 0.98 0.00 0.00 173.24 174.62 1w3r h ASP 24 N -1.12 0.56 -0.78 7.02 3.32 -1.99 -1.85 116.42 121.57 1w3r h ASP 24 Ca -0.44 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1w3r h ASP 24 Cb 1.23 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1w3r h ASP 24 CO 0.51 0.56 0.35 -0.08 -1.72 0.00 0.00 179.24 178.86 1w3r h GLU 25 N 0.59 1.15 -0.73 3.56 4.57 -1.99 -1.69 114.58 120.04 1w3r h GLU 25 Ca 0.14 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1w3r h GLU 25 Cb 0.23 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1w3r h GLU 25 CO -0.00 0.91 0.22 2.35 -1.18 0.00 0.00 179.01 181.31 1w3r h TRP 26 N 1.12 1.17 -0.23 0.92 7.01 -1.78 -1.79 115.95 122.36 1w3r h TRP 26 Ca 0.27 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1w3r h TRP 26 Cb 0.16 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 1w3r h TRP 26 CO 0.02 0.92 0.06 0.82 -2.79 0.00 0.00 178.44 177.47 1w3r h ILE 27 N 1.08 1.20 -0.41 2.65 2.04 -1.11 -1.51 117.51 121.46 1w3r h ILE 27 Ca 0.23 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1w3r h ILE 27 Cb 0.31 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1w3r h ILE 27 CO -0.01 0.21 0.08 -0.09 0.00 0.00 0.00 178.15 178.34 1w3r h ARG 28 N 0.20 0.21 -0.28 2.37 2.43 -1.20 -0.78 114.38 117.33 1w3r h ARG 28 Ca 0.07 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1w3r h ARG 28 Cb 0.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1w3r h ARG 28 CO -0.00 0.14 -0.29 0.93 -1.51 0.00 0.00 179.97 179.24 1w3r h GLU 29 N 0.21 0.57 -0.45 0.20 4.39 -1.18 -0.69 114.58 117.62 1w3r h GLU 29 Ca 0.20 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1w3r h GLU 29 Cb 0.24 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1w3r h GLU 29 CO -0.26 0.79 0.09 1.25 -1.16 0.00 0.00 179.01 179.73 1w3r h LEU 30 N 0.49 0.69 -1.06 1.33 6.46 -0.93 -2.15 115.31 120.14 1w3r h LEU 30 Ca 0.06 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 1w3r h LEU 30 Cb 0.75 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1w3r h LEU 30 CO 0.06 0.76 0.20 -0.07 -0.62 0.00 0.00 178.44 178.78 1w3r h LEU 31 N 0.60 0.80 -1.11 2.25 3.38 -0.87 -2.36 115.31 117.99 1w3r h LEU 31 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1w3r h LEU 31 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1w3r h LEU 31 CO 0.00 0.74 -0.41 -0.07 0.09 0.00 0.00 178.44 178.80 1w3r h LEU 32 N 0.85 0.08 0.00 1.67 3.38 -0.90 -3.18 115.31 117.21 1w3r h LEU 32 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1w3r h LEU 32 Cb 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1w3r h LEU 32 CO -0.01 0.48 -0.82 -2.11 0.09 0.00 0.00 178.44 176.07 1w3r n ARG 33 N -4.05 0.11 -1.80 1.13 1.85 -0.83 -4.94 116.66 108.13 1w3r n ARG 33 Ca -0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.53 1w3r n ARG 33 Cb 0.45 -1.54 0.03 0.00 -1.05 0.00 0.00 32.46 30.35 1w3r n ARG 33 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1w3r s GLY 34 N -3.26 1.65 0.00 2.89 0.00 -0.91 -4.99 107.32 102.70 1w3r s GLY 34 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1w3r s GLY 34 CO 0.78 0.19 0.00 -1.30 0.00 0.00 0.00 173.10 172.77 1w3r n THR 35 N -2.89 0.00 -5.07 0.90 -2.24 -1.26 -4.94 114.28 98.78 1w3r n THR 35 Ca 0.06 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 1w3r n THR 35 Cb 0.55 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1w3r n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1w3r s ILE 36 N -0.52 2.58 0.10 2.28 -1.09 -1.26 -1.43 121.20 121.86 1w3r s ILE 36 Ca 0.00 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1w3r s ILE 36 Cb 0.00 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1w3r s ILE 36 CO 0.00 0.58 -0.04 0.00 -1.23 0.00 0.00 174.94 174.24 1w3r s ALA 37 N -0.43 0.96 -0.08 9.38 0.00 -0.44 -4.65 121.76 126.50 1w3r s ALA 37 Ca 0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1w3r s ALA 37 Cb -0.12 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1w3r s ALA 37 CO 0.02 -0.28 -0.01 1.03 0.00 0.00 0.00 175.76 176.52 1w3r s ARG 38 N -3.87 2.96 -0.07 0.00 3.00 0.08 -0.44 118.95 120.61 1w3r s ARG 38 Ca 0.14 -0.43 0.05 0.00 0.00 0.00 0.00 55.73 55.49 1w3r s ARG 38 Cb 0.06 -2.77 -0.01 0.00 0.00 0.00 0.00 34.95 32.23 1w3r s ARG 38 CO -0.04 0.69 -0.23 0.08 0.00 0.00 0.00 175.30 175.80 1w3r s VAL 39 N -0.86 2.22 -0.13 3.52 1.01 0.05 -0.30 120.40 125.91 1w3r s VAL 39 Ca 0.13 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1w3r s VAL 39 Cb -0.11 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1w3r s VAL 39 CO 0.02 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.51 1w3r s ALA 40 N -0.08 2.40 0.21 5.51 0.00 0.41 -1.04 121.76 129.19 1w3r s ALA 40 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1w3r s ALA 40 Cb -0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1w3r s ALA 40 CO 0.04 0.15 0.07 0.95 0.00 0.00 0.00 175.76 176.98 1w3r s THR 41 N 0.53 0.48 -0.17 0.00 -4.23 -1.20 -2.23 115.64 108.81 1w3r s THR 41 Ca -0.11 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.35 1w3r s THR 41 Cb -0.16 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1w3r s THR 41 CO 0.04 -0.19 0.03 -0.76 -0.54 0.00 0.00 174.62 173.20 1w3r s LEU 42 N -3.23 3.62 0.17 4.79 1.43 -1.26 -1.37 118.68 122.84 1w3r s LEU 42 Ca 0.32 0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1w3r s LEU 42 Cb 0.07 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1w3r s LEU 42 CO 0.09 0.17 -0.25 0.26 0.23 0.00 0.00 176.35 176.86 1w3r s TRP 43 N 0.38 2.30 0.04 0.29 0.52 0.19 -1.30 118.94 121.35 1w3r s TRP 43 Ca 0.01 -0.37 -0.30 0.00 0.02 0.00 0.00 56.10 55.46 1w3r s TRP 43 Cb -0.13 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 1w3r s TRP 43 CO 0.01 0.45 1.14 -1.14 0.02 0.00 0.00 176.95 177.43 1w3r s GLN 44 N -2.50 4.46 0.23 4.98 0.74 0.58 -0.95 119.66 127.20 1w3r s GLN 44 Ca 0.19 1.67 0.02 0.00 0.05 0.00 0.00 55.36 57.29 1w3r s GLN 44 Cb -0.08 -3.38 0.04 0.00 1.10 0.00 0.00 33.01 30.68 1w3r s GLN 44 CO 0.09 -0.21 0.31 0.41 -0.55 0.00 0.00 175.29 175.34 1w3r n GLY 45 N 3.13 1.50 0.28 2.59 0.00 -0.12 -4.63 105.19 107.95 1w3r n GLY 45 Ca 0.08 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 1w3r n GLY 45 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1w3r h GLU 46 N 0.00 0.70 -0.20 1.61 4.81 -1.96 -1.60 114.58 117.93 1w3r h GLU 46 Ca -0.10 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1w3r h GLU 46 Cb 0.44 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1w3r h GLU 46 CO 0.13 0.73 0.00 -0.40 -0.73 0.00 0.00 179.01 178.74 1w3r n ASP 47 N -4.22 1.20 0.00 1.04 5.75 -1.26 -4.89 116.55 114.17 1w3r n ASP 47 Ca 0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1w3r n ASP 47 Cb 0.30 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1w3r n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w3r n GLY 48 N 0.90 1.75 3.82 6.12 0.00 -0.60 -5.03 105.19 112.15 1w3r n GLY 48 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1w3r n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3r s ALA 49 N -3.30 3.34 0.42 4.61 0.00 -1.26 -4.65 121.76 120.91 1w3r s ALA 49 Ca 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1w3r s ALA 49 Cb 0.00 -2.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.15 1w3r s ALA 49 CO 0.00 0.29 1.29 0.00 0.00 0.00 0.00 175.76 177.34 1w3r s ALA 50 N -1.67 3.18 -0.01 0.00 0.00 -1.26 -0.94 121.76 121.06 1w3r s ALA 50 Ca 0.48 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 1w3r s ALA 50 Cb -0.15 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1w3r s ALA 50 CO 0.20 -0.84 0.31 -0.59 0.00 0.00 0.00 175.76 174.84 1w3r s PHE 51 N -1.30 -0.17 0.10 0.00 -0.12 -0.12 -4.88 117.98 111.48 1w3r s PHE 51 Ca 0.59 0.24 -0.23 0.00 -0.05 0.00 0.00 56.93 57.48 1w3r s PHE 51 Cb -0.37 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.05 1w3r s PHE 51 CO 0.47 -0.40 0.70 -1.25 -0.05 0.00 0.00 175.22 174.68 1w3r s PRO 52 N -1.42 4.42 0.38 1.99 0.04 -1.26 -0.64 135.00 138.51 1w3r s PRO 52 Ca -0.13 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 61.81 1w3r s PRO 52 Cb -0.05 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1w3r s PRO 52 CO 0.04 0.53 0.71 -0.06 0.04 0.00 0.00 177.00 178.26 1w3r s PHE 53 N -0.88 3.48 -0.17 0.56 0.40 -0.47 -4.95 117.98 115.96 1w3r s PHE 53 Ca 0.34 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 1w3r s PHE 53 Cb -0.21 -2.33 0.04 0.00 0.51 0.00 0.00 43.02 41.03 1w3r s PHE 53 CO 0.23 -0.05 -0.09 0.42 0.70 0.00 0.00 175.22 176.42 1w3r s ILE 54 N -2.34 1.38 -0.24 0.64 1.01 -1.26 -3.27 121.20 117.12 1w3r s ILE 54 Ca 0.49 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1w3r s ILE 54 Cb -0.10 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.96 1w3r s ILE 54 CO 0.33 0.25 -0.10 -0.89 0.00 0.00 0.00 174.94 174.53 1w3r s THR 55 N 1.53 2.53 0.12 2.92 2.01 -0.20 -4.93 115.64 119.61 1w3r s THR 55 Ca 0.02 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1w3r s THR 55 Cb -0.15 -2.30 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 1w3r s THR 55 CO -0.09 0.20 1.17 -2.16 -0.69 0.00 0.00 174.62 173.06 1w3r s PRO 56 N 1.26 4.48 0.20 4.92 0.04 -1.26 -0.77 135.00 143.87 1w3r s PRO 56 Ca -0.01 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1w3r s PRO 56 Cb -0.17 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1w3r s PRO 56 CO -0.06 -0.14 0.53 -0.48 0.04 0.00 0.00 177.00 176.89 1w3r s LEU 57 N 0.41 0.06 0.49 -3.56 0.05 0.42 -4.99 118.68 111.56 1w3r s LEU 57 Ca 0.55 -0.51 -0.22 0.00 0.05 0.00 0.00 54.13 54.00 1w3r s LEU 57 Cb -0.30 2.16 -0.07 0.00 -2.05 0.00 0.00 46.19 45.93 1w3r s LEU 57 CO 0.32 -1.08 1.16 0.00 -0.55 0.00 0.00 176.35 176.21 1w3r s ALA 58 N -3.88 2.87 0.16 1.48 0.00 -1.26 -1.33 121.76 119.79 1w3r s ALA 58 Ca 0.10 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.89 1w3r s ALA 58 Cb -0.01 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1w3r s ALA 58 CO -0.02 -0.73 0.28 1.52 0.00 0.00 0.00 175.76 176.81 1w3r s TYR 59 N -1.61 0.37 -0.01 0.00 -0.85 -0.52 -4.55 117.35 110.19 1w3r s TYR 59 Ca 0.67 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 1w3r s TYR 59 Cb -0.28 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.02 1w3r s TYR 59 CO 0.33 -0.70 -0.01 0.00 -1.52 0.00 0.00 175.55 173.64 1w3r s ALA 60 N -3.96 0.24 -0.07 9.51 0.00 -0.61 -4.69 121.76 122.18 1w3r s ALA 60 Ca 0.16 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 1w3r s ALA 60 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1w3r s ALA 60 CO -0.01 0.00 0.89 -0.47 0.00 0.00 0.00 175.76 176.17 1w3r s TYR 61 N 0.39 3.56 -0.61 0.00 5.04 -1.26 -0.89 117.35 123.57 1w3r s TYR 61 Ca -0.04 1.48 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1w3r s TYR 61 Cb -0.06 -3.04 0.16 0.00 0.35 0.00 0.00 41.96 39.36 1w3r s TYR 61 CO -0.01 -0.09 0.42 1.03 -1.34 0.00 0.00 175.55 175.57 1w3r s ARG 62 N 1.44 2.51 0.22 4.97 0.52 0.05 -4.95 118.95 123.71 1w3r s ARG 62 Ca 0.45 -2.50 -0.09 0.00 -0.52 0.00 0.00 55.73 53.07 1w3r s ARG 62 Cb -0.19 -3.71 0.23 0.00 0.52 0.00 0.00 34.95 31.80 1w3r s ARG 62 CO 0.20 -1.17 1.84 -1.00 0.02 0.00 0.00 175.30 175.20 1w3r h PRO 63 N 7.06 0.84 -0.46 3.54 0.13 -1.96 -1.39 132.00 139.75 1w3r h PRO 63 Ca -0.02 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1w3r h PRO 63 Cb 0.95 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1w3r h PRO 63 CO 0.71 0.56 0.24 1.49 -0.23 0.00 0.00 178.00 180.77 1w3r h GLU 64 N 0.86 0.65 0.00 0.86 4.81 -1.95 -2.32 114.58 117.50 1w3r h GLU 64 Ca 0.30 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1w3r h GLU 64 Cb 0.07 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1w3r h GLU 64 CO -0.13 0.52 -0.07 1.96 -0.73 0.00 0.00 179.01 180.56 1w3r h GLN 65 N 0.60 0.00 -2.97 1.92 7.50 -1.95 -3.47 115.11 116.74 1w3r h GLN 65 Ca 0.16 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.15 1w3r h GLN 65 Cb 0.07 0.00 0.06 0.00 0.05 0.00 0.00 27.48 27.66 1w3r h GLN 65 CO -0.02 0.07 -0.28 0.41 -1.50 0.00 0.00 178.83 177.51 1w3r n GLY 66 N 0.03 0.34 3.43 3.46 0.00 -0.54 -4.95 105.19 106.96 1w3r n GLY 66 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1w3r n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1w3r s ASP 67 N -3.14 1.29 0.02 1.61 1.47 -1.12 -1.52 116.67 115.28 1w3r s ASP 67 Ca 0.23 -1.62 0.04 0.00 1.18 0.00 0.00 52.55 52.38 1w3r s ASP 67 Cb -0.10 0.65 -0.02 0.00 -0.34 0.00 0.00 42.92 43.11 1w3r s ASP 67 CO 0.30 -1.26 -0.11 -0.76 0.68 0.00 0.00 175.17 174.01 1w3r s LEU 68 N -3.30 2.11 0.08 2.11 1.43 -0.66 -0.77 118.68 119.68 1w3r s LEU 68 Ca 0.34 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1w3r s LEU 68 Cb 0.00 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1w3r s LEU 68 CO 0.24 0.05 -0.23 0.68 0.23 0.00 0.00 176.35 177.31 1w3r s VAL 69 N -0.62 1.90 0.21 -1.59 -7.23 -0.07 -0.40 120.40 112.60 1w3r s VAL 69 Ca 0.01 -1.45 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1w3r s VAL 69 Cb -0.06 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.25 1w3r s VAL 69 CO 0.00 0.14 0.64 -0.72 -0.31 0.00 0.00 175.10 174.86 1w3r s TYR 70 N -0.96 -0.41 0.07 2.82 -0.85 -1.11 -1.57 117.35 115.36 1w3r s TYR 70 Ca 0.09 0.10 0.08 0.00 -0.52 0.00 0.00 57.07 56.83 1w3r s TYR 70 Cb -0.10 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1w3r s TYR 70 CO 0.03 -1.00 -0.22 -3.38 -1.52 0.00 0.00 175.55 169.46 1w3r s HIS 71 N -3.81 1.95 -0.28 -3.49 -3.43 -1.26 -0.84 115.29 104.12 1w3r s HIS 71 Ca 0.05 -0.39 -0.22 0.00 -0.80 0.00 0.00 55.06 53.70 1w3r s HIS 71 Cb -0.03 -1.12 0.09 0.00 -1.43 0.00 0.00 32.58 30.09 1w3r s HIS 71 CO -0.05 0.17 0.80 -0.08 -2.00 0.00 0.00 174.74 173.58 1w3r s THR 72 N -0.95 0.00 -2.15 -5.38 -1.32 -0.62 -4.87 115.64 100.34 1w3r s THR 72 Ca 0.09 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.78 1w3r s THR 72 Cb -0.10 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.43 1w3r s THR 72 CO 0.03 0.00 1.47 0.59 -2.21 0.00 0.00 174.62 174.50 1w3r n ASN 73 N 3.16 3.46 -4.68 8.08 4.13 -1.26 -4.38 115.26 123.76 1w3r n ASN 73 Ca -0.16 -1.98 -0.42 0.00 1.68 0.00 0.00 54.58 53.69 1w3r n ASN 73 Cb 0.57 -0.37 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 1w3r n ASN 73 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1w3r s VAL 74 N -1.25 3.77 0.20 2.41 1.01 -1.26 -5.01 120.40 120.27 1w3r s VAL 74 Ca 0.43 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1w3r s VAL 74 Cb 0.23 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1w3r s VAL 74 CO 0.31 -0.02 0.07 0.68 0.00 0.00 0.00 175.10 176.14 1w3r s VAL 75 N 2.66 0.40 0.00 2.92 -7.23 -1.26 -5.17 120.40 112.72 1w3r s VAL 75 Ca 0.64 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1w3r s VAL 75 Cb -0.30 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1w3r s VAL 75 CO 0.25 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1w3r n GLY 76 N -0.30 4.11 0.00 2.32 0.00 -1.26 -5.12 105.19 104.94 1w3r n GLY 76 Ca -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1w3r n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1w3r n ARG 77 N 0.00 0.00 -4.37 1.61 3.00 -1.26 -4.98 116.66 110.66 1w3r n ARG 77 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1w3r n ARG 77 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 32.46 32.32 1w3r n ARG 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1w3r s LEU 78 N -0.02 3.31 0.37 6.15 1.43 -1.26 -5.02 118.68 123.64 1w3r s LEU 78 Ca 0.00 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1w3r s LEU 78 Cb 0.00 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 1w3r s LEU 78 CO 0.00 0.28 1.13 -0.13 0.23 0.00 0.00 176.35 177.86 1w3r s ARG 79 N -1.53 4.21 -1.17 1.70 0.52 -1.26 -0.31 118.95 121.11 1w3r s ARG 79 Ca 0.18 1.77 -0.15 0.00 -0.52 0.00 0.00 55.73 57.01 1w3r s ARG 79 Cb -0.11 -2.76 0.15 0.00 0.52 0.00 0.00 34.95 32.75 1w3r s ARG 79 CO 0.09 -0.16 1.42 0.00 0.02 0.00 0.00 175.30 176.67 1w3r s ALA 80 N -1.41 3.82 -0.29 2.13 0.00 -0.42 -4.62 121.76 120.98 1w3r s ALA 80 Ca 0.54 -3.21 -0.18 0.00 0.00 0.00 0.00 51.96 49.11 1w3r s ALA 80 Cb -0.29 -4.17 0.15 0.00 0.00 0.00 0.00 23.12 18.80 1w3r s ALA 80 CO 0.37 -2.87 1.02 1.21 0.00 0.00 0.00 175.76 175.49 1w3r s ASN 81 N 3.12 -0.45 -0.19 0.00 3.84 -1.26 -4.86 114.94 115.13 1w3r s ASN 81 Ca 0.42 0.76 -0.15 0.00 0.21 0.00 0.00 52.86 54.10 1w3r s ASN 81 Cb -0.02 1.08 -0.04 0.00 -0.55 0.00 0.00 41.25 41.72 1w3r s ASN 81 CO -0.01 -0.12 0.36 0.00 -2.79 0.00 0.00 177.10 174.54 1w3r s ALA 82 N 1.04 3.56 0.00 1.71 0.00 -1.26 -5.03 121.76 121.78 1w3r s ALA 82 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1w3r s ALA 82 Cb -0.04 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1w3r s ALA 82 CO -0.13 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1w3r n GLY 83 N 3.76 0.01 0.12 0.00 0.00 -1.26 -4.82 105.19 103.01 1w3r n GLY 83 Ca -0.10 -2.29 0.07 0.00 0.00 0.00 0.00 46.02 43.71 1w3r n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1w3r h GLN 84 N 7.68 0.00 -6.19 1.61 4.20 -1.97 -3.46 115.11 116.97 1w3r h GLN 84 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1w3r h GLN 84 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1w3r h GLN 84 CO 0.00 0.12 -0.45 0.20 -0.67 0.00 0.00 178.83 178.03 1w3r s GLY 85 N -4.49 1.80 0.02 3.46 0.00 -1.26 -4.57 107.32 102.28 1w3r s GLY 85 Ca -0.00 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 43.08 1w3r s GLY 85 CO 0.78 -1.59 -0.10 -2.38 0.00 0.00 0.00 173.10 169.82 1w3r s HIS 86 N -2.32 0.84 0.30 1.90 -3.43 0.69 -4.85 115.29 108.44 1w3r s HIS 86 Ca 0.41 -0.31 -0.29 0.00 -0.80 0.00 0.00 55.06 54.06 1w3r s HIS 86 Cb -0.06 -0.51 -0.12 0.00 -1.43 0.00 0.00 32.58 30.46 1w3r s HIS 86 CO 0.26 -0.02 1.40 -2.30 -2.00 0.00 0.00 174.74 172.09 1w3r n PRO 87 N 2.13 2.25 -3.82 -0.38 -0.02 -1.26 0.25 135.00 134.14 1w3r n PRO 87 Ca -0.18 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1w3r n PRO 87 Cb 0.56 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 1w3r n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w3r s ALA 88 N -0.58 -0.42 -0.10 3.55 0.00 0.44 -4.55 121.76 120.10 1w3r s ALA 88 Ca 0.61 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 1w3r s ALA 88 Cb -0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1w3r s ALA 88 CO 0.56 -0.10 -0.04 0.99 0.00 0.00 0.00 175.76 177.17 1w3r s THR 89 N -0.09 3.92 -0.02 0.00 2.01 -0.95 -0.72 115.64 119.79 1w3r s THR 89 Ca -0.02 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1w3r s THR 89 Cb -0.02 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1w3r s THR 89 CO 0.00 0.57 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.16 1w3r s LEU 90 N -0.50 1.96 -0.07 4.42 0.20 -0.06 -0.44 118.68 124.19 1w3r s LEU 90 Ca 0.08 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.69 1w3r s LEU 90 Cb -0.12 -0.70 0.00 0.00 -0.43 0.00 0.00 46.19 44.94 1w3r s LEU 90 CO 0.02 0.14 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.35 1w3r s GLU 91 N -0.16 2.14 -0.07 1.98 -6.30 0.59 -0.45 118.70 116.44 1w3r s GLU 91 Ca 0.02 -0.63 0.02 0.00 -2.50 0.00 0.00 54.97 51.89 1w3r s GLU 91 Cb -0.07 -1.74 0.01 0.00 0.00 0.00 0.00 34.13 32.34 1w3r s GLU 91 CO 0.00 0.15 -0.14 0.08 0.02 0.00 0.00 175.26 175.38 1w3r s VAL 92 N 0.34 1.28 0.04 3.70 1.01 -0.78 -0.74 120.40 125.26 1w3r s VAL 92 Ca -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1w3r s VAL 92 Cb -0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1w3r s VAL 92 CO 0.05 0.39 -0.05 -0.44 0.00 0.00 0.00 175.10 175.05 1w3r s SER 93 N 0.67 0.58 -0.25 3.32 0.01 -1.26 -0.22 113.70 116.54 1w3r s SER 93 Ca -0.14 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.37 1w3r s SER 93 Cb -0.16 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.19 1w3r s SER 93 CO 0.04 -0.38 -0.03 -1.61 0.41 0.00 0.00 173.24 171.67 1w3r s GLU 94 N -2.46 3.03 -0.20 12.44 2.02 0.59 -4.97 118.70 129.14 1w3r s GLU 94 Ca -0.05 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 1w3r s GLU 94 Cb -0.03 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1w3r s GLU 94 CO -0.04 -0.35 -0.02 0.42 0.02 0.00 0.00 175.26 175.29 1w3r s ILE 95 N 1.40 3.71 0.00 -1.63 -1.09 -1.26 -0.40 121.20 121.93 1w3r s ILE 95 Ca 0.02 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1w3r s ILE 95 Cb -0.16 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 1w3r s ILE 95 CO -0.03 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 1w3r n GLY 96 N 4.39 1.72 3.86 6.18 0.00 0.66 -4.98 105.19 117.01 1w3r n GLY 96 Ca -0.17 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1w3r n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w3r s GLN 97 N 4.64 3.88 0.27 1.61 -1.52 -1.26 -4.61 119.66 122.67 1w3r s GLN 97 Ca 0.00 0.48 -0.29 0.00 -1.95 0.00 0.00 55.36 53.60 1w3r s GLN 97 Cb 0.00 -2.49 -0.09 0.00 -0.22 0.00 0.00 33.01 30.20 1w3r s GLN 97 CO 0.00 0.17 1.19 -0.06 -0.25 0.00 0.00 175.29 176.34 1w3r s PHE 98 N -2.02 3.39 -0.34 0.91 0.08 -1.26 -1.44 117.98 117.30 1w3r s PHE 98 Ca 0.51 1.54 -0.03 0.00 0.12 0.00 0.00 56.93 59.07 1w3r s PHE 98 Cb -0.10 -3.44 0.06 0.00 -0.57 0.00 0.00 43.02 38.97 1w3r s PHE 98 CO 0.22 -1.11 0.08 -0.51 -0.10 0.00 0.00 175.22 173.79 1w3r s LEU 99 N -1.21 4.36 0.59 -0.37 1.43 0.33 -4.96 118.68 118.85 1w3r s LEU 99 Ca 0.48 -1.47 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 1w3r s LEU 99 Cb -0.34 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1w3r s LEU 99 CO 0.43 -0.35 1.12 -2.16 0.23 0.00 0.00 176.35 175.62 1w3r s PRO 100 N 1.25 3.12 0.01 1.29 0.04 -1.26 -2.59 135.00 136.86 1w3r s PRO 100 Ca -0.01 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 1w3r s PRO 100 Cb -0.21 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1w3r s PRO 100 CO -0.01 -1.02 0.37 0.45 0.04 0.00 0.00 177.00 176.83 1w3r s SER 101 N -2.09 -0.24 0.00 6.66 0.15 -1.26 -4.34 113.70 112.58 1w3r s SER 101 Ca 0.71 0.05 0.26 0.00 0.70 0.00 0.00 55.95 57.67 1w3r s SER 101 Cb -0.23 0.37 1.37 0.00 -1.71 0.00 0.00 66.02 65.83 1w3r s SER 101 CO 0.33 -0.56 1.91 -0.46 1.20 0.00 0.00 173.24 175.65 1w3r n ASN 102 N 0.86 0.57 -4.32 5.45 6.94 -1.26 -4.65 115.26 118.84 1w3r n ASN 102 Ca -0.20 -1.31 -0.36 0.00 -0.02 0.00 0.00 54.58 52.69 1w3r n ASN 102 Cb 0.58 -0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.85 1w3r n ASN 102 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1w3r s SER 103 N -1.84 4.82 0.33 0.53 0.15 -1.26 -4.72 113.70 111.70 1w3r s SER 103 Ca 0.39 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.45 1w3r s SER 103 Cb 0.19 -1.82 0.59 0.00 -1.71 0.00 0.00 66.02 63.28 1w3r s SER 103 CO 0.31 -0.13 1.84 1.55 1.20 0.00 0.00 173.24 178.01 1w3r h PRO 104 N 8.17 0.45 -0.11 5.44 0.13 -1.97 -0.94 132.00 143.17 1w3r h PRO 104 Ca -0.34 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1w3r h PRO 104 Cb 1.13 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1w3r h PRO 104 CO 0.59 0.55 0.00 1.28 -0.23 0.00 0.00 178.00 180.19 1w3r n LEU 105 N -4.24 1.02 -0.39 1.56 7.99 -1.26 -3.10 117.00 118.59 1w3r n LEU 105 Ca 0.01 -0.43 0.11 0.00 -0.01 0.00 0.00 56.01 55.68 1w3r n LEU 105 Cb 0.29 -0.07 -0.02 0.00 -0.11 0.00 0.00 43.42 43.51 1w3r n LEU 105 CO 0.39 0.22 0.23 -0.62 -1.51 0.00 0.00 177.39 176.10 1w3r n GLU 106 N -0.09 0.94 -1.67 3.23 -0.58 -0.36 -4.93 120.64 117.18 1w3r n GLU 106 Ca 0.15 -0.78 -0.45 0.00 -0.42 0.00 0.00 57.16 55.65 1w3r n GLU 106 Cb 0.22 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1w3r n GLU 106 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1w3r n LEU 107 N -0.35 3.02 0.00 -4.62 4.77 -1.18 -4.66 117.00 113.98 1w3r n LEU 107 Ca 0.08 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.13 1w3r n LEU 107 Cb 0.44 -1.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1w3r n LEU 107 CO 0.32 -0.48 0.32 -1.54 -1.33 0.00 0.00 177.39 174.67 1w3r n SER 108 N 2.45 -1.40 -4.02 -1.43 3.41 -1.07 -5.01 113.62 106.56 1w3r n SER 108 Ca 0.13 -2.02 -0.17 0.00 -0.26 0.00 0.00 58.87 56.56 1w3r n SER 108 Cb 0.30 2.34 -0.14 0.00 -0.26 0.00 0.00 64.21 66.46 1w3r n SER 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1w3r s VAL 109 N -2.46 0.61 0.28 -3.33 0.11 -1.26 0.12 120.40 114.47 1w3r s VAL 109 Ca 0.11 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1w3r s VAL 109 Cb -0.03 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.17 1w3r s VAL 109 CO 0.08 0.05 1.40 -1.10 -3.33 0.00 0.00 175.10 172.19 1w3r s GLN 110 N -0.52 4.29 -0.00 1.54 -0.21 -0.52 -4.93 119.66 119.31 1w3r s GLN 110 Ca 0.00 2.28 -0.20 0.00 0.02 0.00 0.00 55.36 57.46 1w3r s GLN 110 Cb -0.05 -3.10 0.04 0.00 1.00 0.00 0.00 33.01 30.91 1w3r s GLN 110 CO 0.00 -0.36 0.45 1.52 -2.12 0.00 0.00 175.29 174.78 1w3r s TYR 111 N -0.37 -0.34 -0.06 0.91 -0.85 -0.30 -0.25 117.35 116.09 1w3r s TYR 111 Ca 0.56 0.49 0.02 0.00 -0.52 0.00 0.00 57.07 57.63 1w3r s TYR 111 Cb -0.41 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1w3r s TYR 111 CO 0.47 -0.51 -0.13 1.03 -1.52 0.00 0.00 175.55 174.89 1w3r s ARG 112 N -1.67 1.69 -0.11 -3.49 0.52 0.46 -1.54 118.95 114.81 1w3r s ARG 112 Ca -0.10 -0.43 -0.08 0.00 -0.52 0.00 0.00 55.73 54.60 1w3r s ARG 112 Cb -0.02 -1.40 0.04 0.00 0.52 0.00 0.00 34.95 34.08 1w3r s ARG 112 CO 0.04 0.05 0.27 0.45 0.02 0.00 0.00 175.30 176.13 1w3r s SER 113 N 0.58 -0.29 -0.10 0.23 0.15 0.68 -0.30 113.70 114.64 1w3r s SER 113 Ca -0.13 0.57 0.03 0.00 0.70 0.00 0.00 55.95 57.11 1w3r s SER 113 Cb -0.15 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1w3r s SER 113 CO 0.04 -0.13 -0.19 -0.69 1.20 0.00 0.00 173.24 173.46 1w3r s VAL 114 N 0.74 2.50 -0.13 4.45 1.01 0.69 -1.27 120.40 128.39 1w3r s VAL 114 Ca -0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1w3r s VAL 114 Cb -0.06 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1w3r s VAL 114 CO -0.05 0.55 -0.07 -0.04 0.00 0.00 0.00 175.10 175.50 1w3r s MET 115 N 0.12 3.44 -0.07 2.72 -1.94 -0.74 -1.87 119.30 120.97 1w3r s MET 115 Ca -0.10 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1w3r s MET 115 Cb -0.16 -2.78 -0.00 0.00 2.01 0.00 0.00 34.83 33.90 1w3r s MET 115 CO 0.06 0.31 -0.23 0.08 -0.01 0.00 0.00 175.02 175.23 1w3r s VAL 116 N 0.16 1.90 -0.09 -6.03 1.01 0.41 -0.23 120.40 117.52 1w3r s VAL 116 Ca -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1w3r s VAL 116 Cb -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1w3r s VAL 116 CO 0.03 0.53 -0.23 -0.36 0.00 0.00 0.00 175.10 175.08 1w3r s PHE 117 N 0.08 2.43 0.00 5.22 0.08 0.58 -0.88 117.98 125.49 1w3r s PHE 117 Ca -0.09 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1w3r s PHE 117 Cb -0.15 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1w3r s PHE 117 CO 0.05 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.19 1w3r n GLY 118 N 3.53 1.96 3.11 4.36 0.00 0.10 -1.03 105.19 117.22 1w3r n GLY 118 Ca -0.19 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1w3r n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w3r s THR 119 N -2.59 1.94 -0.01 2.61 2.01 -0.93 -0.42 115.64 118.25 1w3r s THR 119 Ca 0.00 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1w3r s THR 119 Cb 0.00 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1w3r s THR 119 CO 0.00 0.52 0.35 0.00 -0.69 0.00 0.00 174.62 174.80 1w3r s ALA 120 N 1.22 3.75 0.02 7.40 0.00 0.14 -0.65 121.76 133.63 1w3r s ALA 120 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1w3r s ALA 120 Cb -0.14 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 1w3r s ALA 120 CO -0.10 0.53 -0.07 -0.98 0.00 0.00 0.00 175.76 175.14 1w3r s ARG 121 N -1.26 0.50 0.24 0.00 1.70 -0.59 -0.22 118.95 119.31 1w3r s ARG 121 Ca 0.24 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 1w3r s ARG 121 Cb -0.15 -0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 33.79 1w3r s ARG 121 CO 0.13 0.08 1.12 0.54 -1.08 0.00 0.00 175.30 176.08 1w3r s VAL 122 N -0.87 3.60 0.15 4.99 0.11 -1.26 -1.18 120.40 125.94 1w3r s VAL 122 Ca -0.05 1.50 0.02 0.00 -2.93 0.00 0.00 61.98 60.52 1w3r s VAL 122 Cb -0.07 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 1w3r s VAL 122 CO 0.00 0.31 0.29 -0.76 -3.33 0.00 0.00 175.10 171.62 1w3r s LEU 123 N -0.95 4.33 0.11 2.54 1.43 0.49 -4.90 118.68 121.72 1w3r s LEU 123 Ca 0.47 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1w3r s LEU 123 Cb -0.31 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1w3r s LEU 123 CO 0.39 0.05 -0.14 0.00 0.23 0.00 0.00 176.35 176.87 1w3r s ALA 124 N -1.74 1.43 0.00 4.21 0.00 -1.26 -4.62 121.76 119.78 1w3r s ALA 124 Ca 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1w3r s ALA 124 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1w3r s ALA 124 CO 0.29 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1w3r n GLY 125 N 0.65 3.29 0.21 0.00 0.00 -1.26 -2.25 105.19 105.82 1w3r n GLY 125 Ca -0.16 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1w3r n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w3r h GLU 126 N 0.00 0.00 0.20 1.61 4.39 -1.98 0.42 114.58 119.22 1w3r h GLU 126 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1w3r h GLU 126 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1w3r h GLU 126 CO 0.00 0.29 -0.11 -0.44 -1.16 0.00 0.00 179.01 177.59 1w3r h ASP 127 N 0.00 -0.28 -0.28 1.42 3.32 -1.86 -1.10 116.42 117.64 1w3r h ASP 127 Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1w3r h ASP 127 Cb 0.80 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1w3r h ASP 127 CO 0.04 -0.19 0.17 0.00 -1.72 0.00 0.00 179.24 177.54 1w3r h ALA 128 N 0.51 0.35 -0.48 3.45 0.00 -1.16 -2.08 119.26 119.85 1w3r h ALA 128 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1w3r h ALA 128 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1w3r h ALA 128 CO 0.02 -0.20 0.31 -0.09 0.00 0.00 0.00 179.25 179.30 1w3r h ARG 129 N 0.35 0.61 -0.72 0.00 2.43 -0.91 -0.79 114.38 115.36 1w3r h ARG 129 Ca 0.11 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1w3r h ARG 129 Cb -0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1w3r h ARG 129 CO -0.04 0.41 0.19 0.00 -1.51 0.00 0.00 179.97 179.02 1w3r h ALA 130 N 1.18 0.95 -0.32 2.80 0.00 -1.14 -1.41 119.26 121.32 1w3r h ALA 130 Ca 0.18 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1w3r h ALA 130 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1w3r h ALA 130 CO -0.05 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.77 1w3r h ALA 131 N 1.10 0.44 -0.54 0.00 0.00 -1.11 -0.87 119.26 118.28 1w3r h ALA 131 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1w3r h ALA 131 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1w3r h ALA 131 CO -0.00 0.29 0.30 -0.07 0.00 0.00 0.00 179.25 179.77 1w3r h LEU 132 N 0.40 0.65 0.18 0.00 3.38 -1.07 -0.52 115.31 118.33 1w3r h LEU 132 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1w3r h LEU 132 Cb 0.59 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1w3r h LEU 132 CO 0.03 0.52 -0.09 0.74 0.09 0.00 0.00 178.44 179.74 1w3r h THR 133 N 0.74 0.93 -0.62 0.22 2.02 -1.04 -0.65 112.91 114.52 1w3r h THR 133 Ca 0.19 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 66.87 1w3r h THR 133 Cb 0.01 1.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.63 1w3r h THR 133 CO -0.03 0.14 0.15 0.74 0.37 0.00 0.00 175.52 176.88 1w3r h THR 134 N -0.54 0.64 0.63 3.16 2.02 -1.04 -0.77 112.91 117.00 1w3r h THR 134 Ca -0.02 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1w3r h THR 134 Cb 0.41 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1w3r h THR 134 CO 0.04 0.05 -0.38 0.25 0.37 0.00 0.00 175.52 175.86 1w3r h LEU 135 N 0.28 -0.94 -0.81 2.58 5.85 -1.04 -0.94 115.31 120.28 1w3r h LEU 135 Ca 0.33 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.15 1w3r h LEU 135 Cb 0.49 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1w3r h LEU 135 CO -0.41 -0.59 0.50 0.28 -0.34 0.00 0.00 178.44 177.89 1w3r h SER 136 N -0.94 0.79 1.64 1.25 0.02 -0.94 -0.95 113.55 114.42 1w3r h SER 136 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1w3r h SER 136 Cb 0.76 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1w3r h SER 136 CO 0.09 0.52 0.00 -0.33 -1.14 0.00 0.00 176.83 175.96 1w3r h GLU 137 N 0.93 0.00 0.02 3.45 5.08 -1.06 -1.96 114.58 121.04 1w3r h GLU 137 Ca 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1w3r h GLU 137 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1w3r h GLU 137 CO -0.16 0.00 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.62 1w3r h ARG 138 N 0.00 0.07 0.00 2.33 9.65 -0.35 -3.35 114.38 122.72 1w3r h ARG 138 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1w3r h ARG 138 Cb 0.82 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1w3r h ARG 138 CO 0.00 0.96 -0.22 -0.39 2.80 0.00 0.00 179.97 183.13 1w3r h VAL 139 N -0.78 0.00 -3.11 0.20 -1.51 -1.15 -3.35 116.25 106.54 1w3r h VAL 139 Ca -0.02 -0.51 -0.62 0.00 -1.23 0.00 0.00 66.70 64.32 1w3r h VAL 139 Cb 1.03 1.36 -0.41 0.00 -2.13 0.00 0.00 31.29 31.14 1w3r h VAL 139 CO 0.03 0.00 -0.65 -0.36 -1.23 0.00 0.00 177.57 175.36 1w3r s PHE 140 N -3.13 2.97 0.16 5.19 0.08 -0.74 -5.09 117.98 117.42 1w3r s PHE 140 Ca 0.09 -3.05 -0.32 0.00 0.12 0.00 0.00 56.93 53.77 1w3r s PHE 140 Cb 0.12 -2.47 -0.10 0.00 -0.57 0.00 0.00 43.02 40.01 1w3r s PHE 140 CO 0.64 -0.67 1.62 -2.14 -0.10 0.00 0.00 175.22 174.57 1w3r s PRO 141 N -0.63 4.19 0.00 0.24 0.02 -1.26 -1.37 135.00 136.20 1w3r s PRO 141 Ca 0.22 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1w3r s PRO 141 Cb -0.15 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1w3r s PRO 141 CO -0.08 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1w3r n GLY 142 N 3.84 2.41 3.77 0.52 0.00 -1.26 -5.05 105.19 109.43 1w3r n GLY 142 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1w3r n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w3r s LEU 143 N 0.00 4.47 -0.15 0.99 0.20 -0.47 -5.01 118.68 118.71 1w3r s LEU 143 Ca 0.00 1.80 -0.01 0.00 0.69 0.00 0.00 54.13 56.61 1w3r s LEU 143 Cb 0.00 -3.75 0.04 0.00 -0.43 0.00 0.00 46.19 42.05 1w3r s LEU 143 CO 0.00 0.05 -0.05 -0.54 -0.29 0.00 0.00 176.35 175.52 1w3r s LYS 144 N -1.66 1.38 0.26 1.98 -0.14 -1.26 -4.63 119.74 115.67 1w3r s LYS 144 Ca 0.45 -0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 54.34 1w3r s LYS 144 Cb -0.21 -1.85 -0.11 0.00 -1.68 0.00 0.00 37.83 33.98 1w3r s LYS 144 CO 0.26 -0.39 1.50 0.08 -0.76 0.00 0.00 175.35 176.04 1w3r s VAL 145 N 1.68 2.44 0.00 3.17 1.01 -1.26 -0.28 120.40 127.16 1w3r s VAL 145 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1w3r s VAL 145 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1w3r s VAL 145 CO -0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1w3r n GLY 146 N 2.22 1.03 1.48 4.51 0.00 -0.10 -4.80 105.19 109.53 1w3r n GLY 146 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1w3r n GLY 146 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w3r n GLU 147 N -2.00 0.00 -0.23 1.61 2.13 -0.85 -4.75 120.64 116.55 1w3r n GLU 147 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1w3r n GLU 147 Cb 0.00 -0.10 0.04 0.00 0.27 0.00 0.00 31.44 31.65 1w3r n GLU 147 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1w3r h THR 148 N 0.00 1.26 -2.55 6.31 2.02 -0.95 -3.44 112.91 115.56 1w3r h THR 148 Ca 0.00 -0.92 -0.62 0.00 0.77 0.00 0.00 66.41 65.65 1w3r h THR 148 Cb 0.00 0.61 -0.15 0.00 -1.74 0.00 0.00 68.15 66.87 1w3r h THR 148 CO 0.00 0.35 -0.76 0.42 0.37 0.00 0.00 175.52 175.90 1w3r s THR 149 N -5.34 2.62 0.79 3.16 -4.23 -1.20 -5.02 115.64 106.42 1w3r s THR 149 Ca -0.12 -2.18 -0.14 0.00 -1.18 0.00 0.00 61.69 58.06 1w3r s THR 149 Cb 0.14 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.70 1w3r s THR 149 CO 0.83 -0.29 1.09 -2.11 -0.54 0.00 0.00 174.62 173.60 1w3r n ARG 150 N -0.35 0.25 -1.02 3.99 1.85 -1.26 -0.92 116.66 119.20 1w3r n ARG 150 Ca -0.08 0.15 -0.33 0.00 -1.00 0.00 0.00 57.85 56.60 1w3r n ARG 150 Cb 0.58 -2.34 0.14 0.00 -1.05 0.00 0.00 32.46 29.79 1w3r n ARG 150 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1w3r s PRO 151 N -3.86 1.48 -0.17 2.89 0.02 -1.26 -3.91 135.00 130.19 1w3r s PRO 151 Ca 0.72 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 1w3r s PRO 151 Cb -0.30 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1w3r s PRO 151 CO 0.52 -2.33 1.42 0.42 -0.33 0.00 0.00 177.00 176.70 1w3r s ILE 152 N -2.23 4.00 0.56 2.83 1.01 -1.26 -4.96 121.20 121.15 1w3r s ILE 152 Ca 0.72 1.18 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1w3r s ILE 152 Cb -0.28 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.39 1w3r s ILE 152 CO 0.52 -0.20 0.78 -0.94 0.00 0.00 0.00 174.94 175.10 1w3r s SER 153 N 2.80 5.19 0.34 3.58 1.04 -1.26 -4.97 113.70 120.42 1w3r s SER 153 Ca 0.62 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.97 1w3r s SER 153 Cb -0.24 -0.66 0.60 0.00 0.10 0.00 0.00 66.02 65.82 1w3r s SER 153 CO 0.22 -1.20 1.79 -0.33 0.98 0.00 0.00 173.24 174.70 1w3r h GLU 154 N 0.07 0.21 -0.28 4.02 4.39 -1.99 -2.45 114.58 118.55 1w3r h GLU 154 Ca -0.40 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1w3r h GLU 154 Cb 1.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1w3r h GLU 154 CO 0.49 0.50 0.08 0.22 -1.16 0.00 0.00 179.01 179.14 1w3r h ASP 155 N 0.19 0.41 -0.72 1.42 1.82 -1.99 -1.85 116.42 115.70 1w3r h ASP 155 Ca 0.03 -0.21 0.15 0.00 -0.39 0.00 0.00 57.03 56.60 1w3r h ASP 155 Cb 0.64 -0.11 -0.10 0.00 0.68 0.00 0.00 39.33 40.44 1w3r h ASP 155 CO 0.05 0.51 0.19 0.44 -1.61 0.00 0.00 179.24 178.82 1w3r h ASP 156 N 0.28 0.05 0.44 2.28 3.32 -1.85 -1.48 116.42 119.46 1w3r h ASP 156 Ca 0.09 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1w3r h ASP 156 Cb 0.26 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1w3r h ASP 156 CO -0.00 -0.01 -0.53 -0.07 -1.72 0.00 0.00 179.24 176.91 1w3r h LEU 157 N 0.29 0.11 -1.02 1.55 3.38 -1.13 -2.79 115.31 115.71 1w3r h LEU 157 Ca 0.40 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 1w3r h LEU 157 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1w3r h LEU 157 CO -0.48 0.62 -0.41 0.11 0.09 0.00 0.00 178.44 178.37 1w3r h LYS 158 N 0.08 0.00 -0.02 1.13 1.79 -0.44 -2.98 116.57 116.13 1w3r h LYS 158 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1w3r h LYS 158 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1w3r h LYS 158 CO 0.07 0.41 -0.09 0.54 -1.08 0.00 0.00 179.45 179.31 1w3r n ARG 159 N -3.70 1.52 -4.49 3.15 1.74 -0.97 -4.93 116.66 108.99 1w3r n ARG 159 Ca -0.01 -0.98 -0.22 0.00 -0.77 0.00 0.00 57.85 55.87 1w3r n ARG 159 Cb 0.50 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 1w3r n ARG 159 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1w3r s THR 160 N -2.15 0.94 -0.35 0.55 2.01 -1.13 -5.01 115.64 110.51 1w3r s THR 160 Ca 0.32 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1w3r s THR 160 Cb 0.20 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 1w3r s THR 160 CO 0.39 0.29 0.22 -0.44 -0.69 0.00 0.00 174.62 174.40 1w3r s SER 161 N 0.31 5.89 -0.10 3.53 0.01 -1.26 -4.89 113.70 117.19 1w3r s SER 161 Ca -0.06 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1w3r s SER 161 Cb -0.11 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1w3r s SER 161 CO 0.01 -0.28 -0.11 -0.69 0.41 0.00 0.00 173.24 172.59 1w3r s VAL 162 N 1.67 3.29 0.10 3.43 1.01 -1.26 -1.59 120.40 127.04 1w3r s VAL 162 Ca 0.05 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1w3r s VAL 162 Cb -0.18 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1w3r s VAL 162 CO 0.09 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.22 1w3r s TYR 163 N -0.12 1.81 -0.22 5.22 2.02 -0.02 -0.38 117.35 125.65 1w3r s TYR 163 Ca -0.00 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1w3r s TYR 163 Cb -0.13 -1.00 -0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1w3r s TYR 163 CO 0.03 0.20 -0.05 0.45 -1.57 0.00 0.00 175.55 174.60 1w3r s SER 164 N -1.82 4.22 -0.50 2.29 0.15 -0.32 -2.73 113.70 114.99 1w3r s SER 164 Ca 0.07 -0.47 -0.19 0.00 0.70 0.00 0.00 55.95 56.06 1w3r s SER 164 Cb -0.10 -1.71 0.06 0.00 -1.71 0.00 0.00 66.02 62.55 1w3r s SER 164 CO 0.04 -0.04 0.60 -0.22 1.20 0.00 0.00 173.24 174.82 1w3r s LEU 165 N 1.45 5.00 -0.19 3.45 0.20 0.47 -1.54 118.68 127.51 1w3r s LEU 165 Ca 0.05 -0.92 -0.26 0.00 0.69 0.00 0.00 54.13 53.70 1w3r s LEU 165 Cb -0.14 -2.43 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 1w3r s LEU 165 CO -0.04 -0.85 0.87 -0.55 -0.29 0.00 0.00 176.35 175.49 1w3r s SER 166 N 2.61 6.96 0.08 3.68 0.15 0.18 -1.65 113.70 125.71 1w3r s SER 166 Ca 0.14 1.19 -0.30 0.00 0.70 0.00 0.00 55.95 57.68 1w3r s SER 166 Cb -0.19 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1w3r s SER 166 CO 0.12 -0.46 1.12 -0.63 1.20 0.00 0.00 173.24 174.59 1w3r s ILE 167 N 2.42 4.19 -0.27 6.45 1.01 -0.57 -2.20 121.20 132.23 1w3r s ILE 167 Ca 0.39 1.64 -0.08 0.00 0.00 0.00 0.00 60.65 62.60 1w3r s ILE 167 Cb -0.16 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.12 1w3r s ILE 167 CO 0.11 0.17 -0.31 0.47 0.00 0.00 0.00 174.94 175.38 1w3r n ASP 168 N 3.52 1.95 -3.78 3.58 8.00 -0.20 -4.98 116.55 124.64 1w3r n ASP 168 Ca 0.07 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 1w3r n ASP 168 Cb 0.47 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.82 1w3r n ASP 168 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w3r s ARG 169 N -2.50 0.64 0.20 -1.24 0.52 -1.03 -5.03 118.95 110.52 1w3r s ARG 169 Ca -0.37 -0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.56 1w3r s ARG 169 Cb 0.13 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.85 1w3r s ARG 169 CO 0.51 -0.17 0.23 1.67 0.02 0.00 0.00 175.30 177.55 1w3r s TRP 170 N -1.37 0.83 0.02 -0.53 -2.14 -1.26 -0.30 118.94 114.19 1w3r s TRP 170 Ca -0.14 -1.12 -0.06 0.00 2.66 0.00 0.00 56.10 57.45 1w3r s TRP 170 Cb -0.06 -0.30 -0.01 0.00 -3.10 0.00 0.00 33.47 30.01 1w3r s TRP 170 CO 0.04 -0.72 0.10 0.45 -2.66 0.00 0.00 176.95 174.15 1w3r s SER 171 N -3.09 0.11 -0.12 -2.66 0.15 0.68 -4.99 113.70 103.78 1w3r s SER 171 Ca 0.30 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 1w3r s SER 171 Cb 0.05 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1w3r s SER 171 CO 0.08 -0.40 0.31 -0.83 1.20 0.00 0.00 173.24 173.60 1w3r s GLY 172 N -1.63 -0.23 -0.06 9.45 0.00 -1.26 -1.79 107.32 111.81 1w3r s GLY 172 Ca -0.12 1.00 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 1w3r s GLY 172 CO -0.01 1.00 0.13 1.25 0.00 0.00 0.00 173.10 175.48 1w3r s LYS 173 N 0.58 0.11 -0.03 2.90 2.20 -0.39 -0.49 119.74 124.62 1w3r s LYS 173 Ca -0.03 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.84 1w3r s LYS 173 Cb -0.05 -0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1w3r s LYS 173 CO -0.03 -0.10 0.06 -2.00 -0.36 0.00 0.00 175.35 172.92 1w3r s GLU 174 N 0.66 0.01 -0.29 4.03 2.12 -0.69 -0.23 118.70 124.31 1w3r s GLU 174 Ca -0.05 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.47 1w3r s GLU 174 Cb -0.07 -0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.24 1w3r s GLU 174 CO -0.03 -0.14 0.12 1.21 -0.54 0.00 0.00 175.26 175.88 1w3r s ASN 175 N 0.91 3.67 -0.52 -1.70 3.84 -0.59 -4.78 114.94 115.77 1w3r s ASN 175 Ca -0.07 -1.38 0.07 0.00 0.21 0.00 0.00 52.86 51.68 1w3r s ASN 175 Cb -0.10 -0.52 0.35 0.00 -0.55 0.00 0.00 41.25 40.43 1w3r s ASN 175 CO -0.03 -0.43 0.92 1.87 -2.79 0.00 0.00 177.10 176.64 1w3r n TRP 176 N 5.11 3.20 -1.97 0.43 -0.00 -1.26 -1.16 117.44 121.80 1w3r n TRP 176 Ca -0.05 -3.86 -0.32 0.00 -0.00 0.00 0.00 57.50 53.28 1w3r n TRP 176 Cb 0.42 -0.44 0.01 0.00 -0.00 0.00 0.00 31.31 31.31 1w3r n TRP 176 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1w3r s ALA 177 N -3.28 2.82 -0.42 5.87 0.00 -1.26 -4.96 121.76 120.54 1w3r s ALA 177 Ca 0.47 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.88 1w3r s ALA 177 Cb 0.31 -3.18 0.30 0.00 0.00 0.00 0.00 23.12 20.55 1w3r s ALA 177 CO -0.13 -0.79 1.51 1.05 0.00 0.00 0.00 175.76 177.40 1w3r h GLU 178 N 0.16 0.00 -3.13 0.00 4.11 -2.02 -3.46 114.58 110.23 1w3r h GLU 178 Ca -0.46 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.81 1w3r h GLU 178 Cb 1.21 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.20 1w3r h GLU 178 CO 0.58 0.00 -0.43 -1.14 0.07 0.00 0.00 179.01 178.09 1w3r s GLN 179 N -3.23 0.28 0.64 1.06 0.74 -1.26 -5.07 119.66 112.82 1w3r s GLN 179 Ca 0.06 0.36 -0.15 0.00 0.05 0.00 0.00 55.36 55.67 1w3r s GLN 179 Cb 0.06 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1w3r s GLN 179 CO 0.69 -0.04 1.11 0.00 -0.55 0.00 0.00 175.29 176.50 1w3r s ALA 180 N 0.21 2.51 0.21 1.58 0.00 -1.26 -4.98 121.76 120.03 1w3r s ALA 180 Ca -0.01 0.56 -0.32 0.00 0.00 0.00 0.00 51.96 52.19 1w3r s ALA 180 Cb -0.02 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1w3r s ALA 180 CO -0.00 -1.20 1.53 -0.89 0.00 0.00 0.00 175.76 175.20 1w3r n ILE 181 N -2.29 0.50 -4.17 0.00 5.41 -1.26 -4.96 119.36 112.59 1w3r n ILE 181 Ca 0.10 -0.13 -0.22 0.00 1.00 0.00 0.00 62.75 63.50 1w3r n ILE 181 Cb 0.52 -1.61 -0.05 0.00 -0.71 0.00 0.00 39.64 37.79 1w3r n ILE 181 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1w3r s GLN 182 N 0.23 2.69 -0.39 0.38 -1.52 -1.26 -4.64 119.66 115.15 1w3r s GLN 182 Ca 0.72 -1.19 -0.16 0.00 -1.95 0.00 0.00 55.36 52.78 1w3r s GLN 182 Cb -0.63 -2.42 0.01 0.00 -0.22 0.00 0.00 33.01 29.76 1w3r s GLN 182 CO 0.43 0.38 0.38 -2.00 -0.25 0.00 0.00 175.29 174.23 1w3r s GLU 183 N -3.79 3.23 0.41 2.91 2.56 -1.26 -4.93 118.70 117.82 1w3r s GLU 183 Ca 0.33 -0.70 0.10 0.00 0.00 0.00 0.00 54.97 54.70 1w3r s GLU 183 Cb -0.07 -3.92 0.87 0.00 2.00 0.00 0.00 34.13 33.02 1w3r s GLU 183 CO 0.23 -0.72 1.97 1.49 -0.56 0.00 0.00 175.26 177.67 1w3r h GLU 184 N 8.62 0.22 -0.82 4.30 4.57 -1.98 -2.94 114.58 126.56 1w3r h GLU 184 Ca -0.28 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1w3r h GLU 184 Cb 1.12 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1w3r h GLU 184 CO 0.75 0.31 0.02 -0.25 -1.18 0.00 0.00 179.01 178.66 1w3r n ASP 185 N -4.34 3.24 -4.17 1.04 8.00 -1.26 -4.75 116.55 114.32 1w3r n ASP 185 Ca -0.01 -2.46 -0.19 0.00 0.71 0.00 0.00 54.79 52.84 1w3r n ASP 185 Cb 0.22 -0.59 -0.12 0.00 -0.02 0.00 0.00 41.12 40.60 1w3r n ASP 185 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1w3r s TRP 186 N -1.81 1.28 -0.15 1.24 -0.11 -1.11 -5.08 118.94 113.20 1w3r s TRP 186 Ca 0.26 -0.43 -0.42 0.00 1.22 0.00 0.00 56.10 56.73 1w3r s TRP 186 Cb 0.20 -0.73 -0.20 0.00 -1.50 0.00 0.00 33.47 31.24 1w3r s TRP 186 CO 0.07 0.06 1.22 -2.30 -4.62 0.00 0.00 176.95 171.38 1w3r n PRO 187 N 1.43 0.00 -1.56 5.86 -0.02 -1.26 -4.87 135.00 134.58 1w3r n PRO 187 Ca -0.20 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.92 1w3r n PRO 187 Cb 0.54 -1.49 0.08 0.00 -0.02 0.00 0.00 33.50 32.62 1w3r n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w3r s ALA 188 N 0.88 2.22 0.40 3.55 0.00 -1.26 -4.88 121.76 122.67 1w3r s ALA 188 Ca 0.94 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 53.69 1w3r s ALA 188 Cb -1.33 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 18.17 1w3r s ALA 188 CO 0.64 -1.78 1.48 -0.51 0.00 0.00 0.00 175.76 175.59 1w3r s LEU 189 N -4.79 4.25 1.09 0.00 1.43 -1.26 -5.02 118.68 114.38 1w3r s LEU 189 Ca 0.79 3.04 -0.17 0.00 -1.03 0.00 0.00 54.13 56.76 1w3r s LEU 189 Cb -0.33 -3.75 0.24 0.00 0.03 0.00 0.00 46.19 42.37 1w3r s LEU 189 CO 0.43 -0.99 1.15 -0.83 0.23 0.00 0.00 176.35 176.33 1w3r s GLY 190 N -0.23 1.61 0.52 -3.19 0.00 -1.26 -4.88 107.32 99.89 1w3r s GLY 190 Ca 0.56 -0.86 0.31 0.00 0.00 0.00 0.00 44.72 44.72 1w3r s GLY 190 CO 0.62 -0.08 1.99 -2.55 0.00 0.00 0.00 173.10 173.08 1w3r h PRO 191 N -2.18 0.00 -0.96 2.90 0.11 -1.98 -2.22 132.00 127.67 1w3r h PRO 191 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1w3r h PRO 191 Cb 1.29 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1w3r h PRO 191 CO 0.42 0.09 0.56 1.05 -0.21 0.00 0.00 178.00 179.91 1w3r h GLU 192 N 0.00 0.72 0.00 1.05 9.09 -1.94 -0.59 114.58 122.91 1w3r h GLU 192 Ca -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 1w3r h GLU 192 Cb 0.50 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1w3r h GLU 192 CO 0.01 0.47 -0.06 -1.49 0.05 0.00 0.00 179.01 177.99 1w3r h TRP 193 N 0.74 0.01 -0.00 2.06 4.06 -1.76 -3.38 115.95 117.67 1w3r h TRP 193 Ca 0.54 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.48 1w3r h TRP 193 Cb 0.80 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1w3r h TRP 193 CO -0.03 1.03 -0.62 1.28 -3.56 0.00 0.00 178.44 176.54 1w3r n LEU 194 N -4.59 1.14 -0.63 -4.49 4.77 -1.21 -4.87 117.00 107.11 1w3r n LEU 194 Ca -0.11 -0.60 0.13 0.00 -0.03 0.00 0.00 56.01 55.40 1w3r n LEU 194 Cb 0.49 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.98 1w3r n LEU 194 CO 0.34 0.24 0.80 0.61 -1.33 0.00 0.00 177.39 178.05