#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rsp s ALA 2 N 0.00 -0.56 -0.02 1.96 0.00 -1.26 -5.07 121.76 116.81 2rsp s ALA 2 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.93 2rsp s ALA 2 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.21 2rsp s ALA 2 CO 0.00 -0.52 -0.04 -1.64 0.00 0.00 0.00 175.76 173.56 2rsp s MET 3 N 2.11 0.54 0.40 0.00 -1.94 -1.26 -5.13 119.30 114.03 2rsp s MET 3 Ca -0.02 -0.11 -0.23 0.00 -1.71 0.00 0.00 55.69 53.62 2rsp s MET 3 Cb -0.12 -0.57 -0.10 0.00 2.01 0.00 0.00 34.83 36.05 2rsp s MET 3 CO -0.09 0.00 0.98 0.99 -0.01 0.00 0.00 175.02 176.90 2rsp s THR 4 N 0.44 4.11 -0.14 2.05 2.01 -1.26 -5.00 115.64 117.84 2rsp s THR 4 Ca -0.05 1.49 -0.21 0.00 0.31 0.00 0.00 61.69 63.23 2rsp s THR 4 Cb -0.09 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2rsp s THR 4 CO -0.00 -0.12 0.61 -0.04 -0.69 0.00 0.00 174.62 174.38 2rsp s MET 5 N -2.74 4.30 -0.03 4.92 1.00 -1.26 -4.99 119.30 120.50 2rsp s MET 5 Ca 0.59 0.64 0.03 0.00 0.00 0.00 0.00 55.69 56.95 2rsp s MET 5 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 34.83 31.17 2rsp s MET 5 CO 0.20 -0.06 -0.09 -1.21 0.00 0.00 0.00 175.02 173.85 2rsp s GLU 6 N 1.31 1.00 0.34 2.03 2.02 -1.26 -5.05 118.70 119.09 2rsp s GLU 6 Ca 0.30 -0.31 0.07 0.00 0.02 0.00 0.00 54.97 55.05 2rsp s GLU 6 Cb -0.16 -0.93 0.75 0.00 0.10 0.00 0.00 34.13 33.89 2rsp s GLU 6 CO 0.12 0.11 1.89 1.25 0.02 0.00 0.00 175.26 178.66 2rsp h HIS 7 N 6.39 0.86 0.00 1.61 -0.00 -2.03 -3.22 115.15 118.77 2rsp h HIS 7 Ca -0.33 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 59.89 2rsp h HIS 7 Cb 1.17 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 2rsp h HIS 7 CO 0.44 0.36 -0.84 1.57 -0.00 0.00 0.00 177.93 179.46 2rsp h LYS 8 N 0.77 0.00 -5.23 5.26 2.10 -2.02 -3.44 116.57 114.01 2rsp h LYS 8 Ca 0.42 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.46 2rsp h LYS 8 Cb 0.55 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.73 2rsp h LYS 8 CO -0.18 0.84 -0.54 -0.51 -2.00 0.00 0.00 179.45 177.06 2rsp s ASP 9 N -6.68 5.80 0.31 7.07 -0.00 -1.22 -5.09 116.67 116.86 2rsp s ASP 9 Ca 0.01 0.10 -0.28 0.00 -0.00 0.00 0.00 52.55 52.38 2rsp s ASP 9 Cb 0.10 -2.01 -0.09 0.00 -0.00 0.00 0.00 42.92 40.92 2rsp s ASP 9 CO 0.80 0.15 1.09 -0.13 -0.00 0.00 0.00 175.17 177.07 2rsp s ARG 10 N 0.53 4.53 -1.13 8.23 0.52 -1.26 -4.51 118.95 125.86 2rsp s ARG 10 Ca 0.05 1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 56.77 2rsp s ARG 10 Cb -0.12 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2rsp s ARG 10 CO 0.00 0.14 1.81 -1.25 0.02 0.00 0.00 175.30 176.02 2rsp s PRO 11 N -1.67 3.05 -0.01 3.54 0.04 -1.26 -4.97 135.00 133.72 2rsp s PRO 11 Ca 0.47 -1.17 -0.03 0.00 0.04 0.00 0.00 61.00 60.31 2rsp s PRO 11 Cb -0.30 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 28.91 2rsp s PRO 11 CO 0.38 -3.14 0.18 -0.51 0.04 0.00 0.00 177.00 173.95 2rsp s LEU 12 N 8.18 4.37 0.18 -3.56 1.43 -1.26 -1.79 118.68 126.23 2rsp s LEU 12 Ca 0.62 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2rsp s LEU 12 Cb -0.01 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2rsp s LEU 12 CO 0.05 0.27 0.04 0.68 0.23 0.00 0.00 176.35 177.62 2rsp s VAL 13 N -1.31 0.47 0.21 -1.59 -7.23 -0.67 -4.97 120.40 105.31 2rsp s VAL 13 Ca 0.27 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2rsp s VAL 13 Cb -0.13 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 2rsp s VAL 13 CO 0.18 -0.38 0.45 -0.13 -0.31 0.00 0.00 175.10 174.91 2rsp s ARG 14 N -3.98 3.62 -0.01 4.82 0.52 -1.15 -1.55 118.95 121.23 2rsp s ARG 14 Ca 0.27 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 2rsp s ARG 14 Cb 0.07 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2rsp s ARG 14 CO 0.05 0.36 0.03 0.08 0.02 0.00 0.00 175.30 175.85 2rsp s VAL 15 N -1.85 0.01 -0.24 3.52 1.01 -0.67 -0.04 120.40 122.15 2rsp s VAL 15 Ca 0.42 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 2rsp s VAL 15 Cb -0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2rsp s VAL 15 CO 0.27 -0.07 0.13 -0.51 0.00 0.00 0.00 175.10 174.92 2rsp s ILE 16 N -0.19 5.01 -0.16 2.22 2.07 0.09 -0.65 121.20 129.59 2rsp s ILE 16 Ca -0.02 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.23 2rsp s ILE 16 Cb -0.02 -3.34 -0.03 0.00 0.13 0.00 0.00 42.46 39.20 2rsp s ILE 16 CO -0.00 0.34 -0.00 -0.76 -1.91 0.00 0.00 174.94 172.61 2rsp s LEU 17 N 1.25 3.46 -0.13 8.50 1.43 0.31 -0.81 118.68 132.69 2rsp s LEU 17 Ca 0.06 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2rsp s LEU 17 Cb -0.14 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2rsp s LEU 17 CO 0.05 0.19 -0.17 -0.89 0.23 0.00 0.00 176.35 175.76 2rsp s THR 18 N 0.27 1.67 -0.16 5.49 2.01 -0.26 -1.31 115.64 123.36 2rsp s THR 18 Ca -0.01 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2rsp s THR 18 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2rsp s THR 18 CO 0.02 0.48 1.21 0.21 -0.69 0.00 0.00 174.62 175.85 2rsp s ASN 19 N 1.12 6.99 -0.25 3.53 3.84 0.13 -1.61 114.94 128.69 2rsp s ASN 19 Ca -0.02 1.65 0.13 0.00 0.21 0.00 0.00 52.86 54.83 2rsp s ASN 19 Cb -0.14 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.73 2rsp s ASN 19 CO -0.05 -0.72 1.68 0.35 -2.79 0.00 0.00 177.10 175.56 2rsp n THR 20 N 5.27 2.70 -1.79 -5.21 -2.24 -0.51 -4.96 114.28 107.54 2rsp n THR 20 Ca 0.13 -1.67 -0.30 0.00 -2.27 0.00 0.00 64.05 59.94 2rsp n THR 20 Cb 0.45 -0.30 0.22 0.00 -2.10 0.00 0.00 70.33 68.60 2rsp n THR 20 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rsp s GLY 21 N -1.24 1.79 -0.01 3.38 0.00 -1.26 -4.88 107.32 105.10 2rsp s GLY 21 Ca 0.51 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 2rsp s GLY 21 CO 0.13 -0.44 0.89 0.23 0.00 0.00 0.00 173.10 173.91 2rsp h SER 22 N -1.96 0.73 -4.05 1.64 0.87 -2.00 -3.47 113.55 105.31 2rsp h SER 22 Ca -0.44 -0.93 -0.50 0.00 -1.23 0.00 0.00 61.79 58.70 2rsp h SER 22 Cb 1.22 -0.24 0.06 0.00 -0.44 0.00 0.00 62.40 63.01 2rsp h SER 22 CO 0.30 1.68 0.45 -1.38 -0.53 0.00 0.00 176.83 177.36 2rsp s HIS 23 N -2.56 2.80 0.59 2.24 -3.43 -1.26 -4.99 115.29 108.67 2rsp s HIS 23 Ca -0.12 1.55 -0.20 0.00 -0.80 0.00 0.00 55.06 55.49 2rsp s HIS 23 Cb 0.04 -3.30 -0.03 0.00 -1.43 0.00 0.00 32.58 27.85 2rsp s HIS 23 CO 0.90 -1.46 1.34 -1.25 -2.00 0.00 0.00 174.74 172.27 2rsp s PRO 24 N -3.01 2.89 0.05 -0.38 0.04 -1.26 -5.05 135.00 128.27 2rsp s PRO 24 Ca 0.68 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.92 2rsp s PRO 24 Cb -0.25 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2rsp s PRO 24 CO 0.30 -1.37 -0.06 0.14 0.04 0.00 0.00 177.00 176.05 2rsp s VAL 25 N -1.33 0.44 0.23 -0.36 -7.23 -1.26 -5.03 120.40 105.86 2rsp s VAL 25 Ca 0.76 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2rsp s VAL 25 Cb -0.40 -0.78 0.04 0.00 0.56 0.00 0.00 36.38 35.81 2rsp s VAL 25 CO 0.45 -0.54 1.65 0.11 -0.31 0.00 0.00 175.10 176.47 2rsp h LYS 26 N 4.17 0.69 -2.95 4.82 1.57 -1.97 -3.41 116.57 119.50 2rsp h LYS 26 Ca -0.35 -0.27 -0.33 0.00 -1.87 0.00 0.00 60.65 57.83 2rsp h LYS 26 Cb 1.19 -0.03 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 2rsp h LYS 26 CO 0.47 0.86 -0.66 -1.14 -0.57 0.00 0.00 179.45 178.41 2rsp s GLN 27 N -4.58 0.07 0.40 3.15 2.00 -1.26 -5.03 119.66 114.42 2rsp s GLN 27 Ca -0.09 0.36 0.22 0.00 -2.00 0.00 0.00 55.36 53.85 2rsp s GLN 27 Cb 0.13 -0.77 0.52 0.00 0.80 0.00 0.00 33.01 33.69 2rsp s GLN 27 CO 0.82 -0.45 1.66 -0.09 -0.50 0.00 0.00 175.29 176.73 2rsp h ARG 28 N 8.37 0.00 -3.84 1.67 2.43 -1.95 -3.44 114.38 117.62 2rsp h ARG 28 Ca -0.14 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.75 2rsp h ARG 28 Cb 1.13 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.39 2rsp h ARG 28 CO 0.20 0.21 -0.73 -1.12 -1.51 0.00 0.00 179.97 177.02 2rsp s SER 29 N -6.22 0.21 0.14 -3.80 0.01 -1.26 -0.69 113.70 102.09 2rsp s SER 29 Ca 0.04 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.33 2rsp s SER 29 Cb 0.08 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2rsp s SER 29 CO 0.67 -0.01 -0.12 0.68 0.41 0.00 0.00 173.24 174.87 2rsp s VAL 30 N 0.23 1.26 -0.16 3.43 -7.23 -0.43 -4.96 120.40 112.55 2rsp s VAL 30 Ca -0.02 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 2rsp s VAL 30 Cb -0.04 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2rsp s VAL 30 CO -0.01 -0.64 0.13 -0.31 -0.31 0.00 0.00 175.10 173.96 2rsp s TYR 31 N -2.94 3.49 0.26 2.82 2.02 -1.26 -0.53 117.35 121.21 2rsp s TYR 31 Ca 0.15 0.41 0.04 0.00 -0.37 0.00 0.00 57.07 57.30 2rsp s TYR 31 Cb -0.00 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2rsp s TYR 31 CO 0.02 0.50 0.16 0.44 -1.57 0.00 0.00 175.55 175.10 2rsp n ILE 32 N 2.76 0.00 -4.26 2.71 -5.35 0.17 -4.98 119.36 110.42 2rsp n ILE 32 Ca -0.18 -1.71 -0.22 0.00 -0.27 0.00 0.00 62.75 60.37 2rsp n ILE 32 Cb 0.53 0.75 -0.12 0.00 -1.74 0.00 0.00 39.64 39.06 2rsp n ILE 32 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2rsp s THR 33 N -2.82 1.48 0.03 7.28 -4.23 -1.26 -1.67 115.64 114.44 2rsp s THR 33 Ca 0.23 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 2rsp s THR 33 Cb 0.01 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2rsp s THR 33 CO 0.16 -0.11 0.31 0.00 -0.54 0.00 0.00 174.62 174.44 2rsp s ALA 34 N -1.18 -0.73 -0.02 3.99 0.00 -0.59 -4.24 121.76 118.99 2rsp s ALA 34 Ca 0.03 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 2rsp s ALA 34 Cb -0.10 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2rsp s ALA 34 CO 0.03 -0.38 0.51 -1.17 0.00 0.00 0.00 175.76 174.75 2rsp s LEU 35 N -1.90 4.42 -0.62 0.00 2.96 -0.16 -1.66 118.68 121.72 2rsp s LEU 35 Ca -0.07 1.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.59 2rsp s LEU 35 Cb -0.02 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.94 2rsp s LEU 35 CO -0.02 0.17 1.20 -0.76 -1.32 0.00 0.00 176.35 175.62 2rsp s LEU 36 N -0.39 3.42 -0.39 -0.68 1.43 -0.74 0.17 118.68 121.51 2rsp s LEU 36 Ca 0.27 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2rsp s LEU 36 Cb -0.17 -3.01 0.11 0.00 0.03 0.00 0.00 46.19 43.15 2rsp s LEU 36 CO 0.15 -1.55 0.13 -0.62 0.23 0.00 0.00 176.35 174.69 2rsp s ASP 37 N 3.14 4.39 0.09 2.29 -1.08 -0.55 -4.79 116.67 120.16 2rsp s ASP 37 Ca 0.40 -2.34 0.10 0.00 -0.52 0.00 0.00 52.55 50.19 2rsp s ASP 37 Cb -0.08 -1.43 0.47 0.00 -1.46 0.00 0.00 42.92 40.43 2rsp s ASP 37 CO 0.23 -0.33 1.31 -1.54 0.52 0.00 0.00 175.17 175.35 2rsp n SER 38 N 3.98 0.18 0.08 -0.34 3.41 -1.26 -0.95 113.62 118.71 2rsp n SER 38 Ca 0.04 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 2rsp n SER 38 Cb 0.39 -0.60 0.30 0.00 -0.26 0.00 0.00 64.21 64.03 2rsp n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rsp n GLY 39 N -0.99 -1.55 3.64 5.00 0.00 -1.26 -4.82 105.19 105.22 2rsp n GLY 39 Ca 0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2rsp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rsp s ALA 40 N -3.13 3.31 0.21 4.61 0.00 -0.13 -4.98 121.76 121.66 2rsp s ALA 40 Ca 0.09 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2rsp s ALA 40 Cb 0.13 -1.68 0.16 0.00 0.00 0.00 0.00 23.12 21.73 2rsp s ALA 40 CO 0.66 0.38 1.49 -0.44 0.00 0.00 0.00 175.76 177.85 2rsp h ASP 41 N 5.98 0.23 -4.16 0.00 3.32 -1.89 0.35 116.42 120.25 2rsp h ASP 41 Ca -0.42 -0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.17 2rsp h ASP 41 Cb 1.19 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 2rsp h ASP 41 CO 0.62 0.86 -0.72 0.27 -1.72 0.00 0.00 179.24 178.56 2rsp s ILE 42 N -3.52 1.05 0.07 0.35 -4.36 -1.26 -3.31 121.20 110.22 2rsp s ILE 42 Ca -0.03 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 2rsp s ILE 42 Cb 0.11 -1.71 -0.05 0.00 1.25 0.00 0.00 42.46 42.07 2rsp s ILE 42 CO 0.80 -0.72 0.96 -0.89 0.24 0.00 0.00 174.94 175.33 2rsp s THR 43 N -3.15 4.63 -0.12 8.37 2.01 -1.26 -3.57 115.64 122.54 2rsp s THR 43 Ca 0.13 2.05 -0.00 0.00 0.31 0.00 0.00 61.69 64.18 2rsp s THR 43 Cb 0.02 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2rsp s THR 43 CO -0.00 0.27 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.49 2rsp s ILE 44 N 0.32 1.06 -0.02 1.82 1.01 -0.50 -1.71 121.20 123.18 2rsp s ILE 44 Ca 0.48 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 2rsp s ILE 44 Cb -0.22 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2rsp s ILE 44 CO 0.29 0.37 0.50 -0.63 0.00 0.00 0.00 174.94 175.48 2rsp s ILE 45 N 1.70 4.98 0.51 2.92 -1.09 -0.08 -0.51 121.20 129.63 2rsp s ILE 45 Ca 0.05 1.05 -0.19 0.00 -2.23 0.00 0.00 60.65 59.33 2rsp s ILE 45 Cb -0.13 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 2rsp s ILE 45 CO -0.08 0.47 1.03 -0.94 -1.23 0.00 0.00 174.94 174.18 2rsp s SER 46 N -0.43 6.29 0.48 3.58 1.04 -1.26 -2.14 113.70 121.26 2rsp s SER 46 Ca 0.27 1.83 0.23 0.00 0.48 0.00 0.00 55.95 58.76 2rsp s SER 46 Cb -0.17 -2.54 1.26 0.00 0.10 0.00 0.00 66.02 64.67 2rsp s SER 46 CO 0.15 -0.82 1.92 -0.33 0.98 0.00 0.00 173.24 175.15 2rsp h GLU 47 N 1.22 0.18 0.00 4.02 5.08 -1.33 0.22 114.58 123.97 2rsp h GLU 47 Ca -0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2rsp h GLU 47 Cb 1.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2rsp h GLU 47 CO 0.59 0.12 -0.07 0.93 -1.00 0.00 0.00 179.01 179.58 2rsp h GLU 48 N 0.19 0.00 0.00 2.33 5.08 -1.90 -3.07 114.58 117.21 2rsp h GLU 48 Ca 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2rsp h GLU 48 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2rsp h GLU 48 CO -0.07 0.07 -1.17 -0.25 -1.00 0.00 0.00 179.01 176.60 2rsp n ASP 49 N -3.13 0.78 -4.67 1.42 8.00 0.62 -4.92 116.55 114.66 2rsp n ASP 49 Ca 0.03 0.31 -0.43 0.00 0.71 0.00 0.00 54.79 55.41 2rsp n ASP 49 Cb 0.51 0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 2rsp n ASP 49 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2rsp s TRP 50 N -3.29 3.19 0.09 1.24 -0.11 -0.32 -4.97 118.94 114.77 2rsp s TRP 50 Ca -0.02 1.29 -0.35 0.00 1.22 0.00 0.00 56.10 58.24 2rsp s TRP 50 Cb 0.10 -3.36 -0.15 0.00 -1.50 0.00 0.00 33.47 28.56 2rsp s TRP 50 CO 0.80 -1.01 1.53 -2.30 -4.62 0.00 0.00 176.95 171.35 2rsp n PRO 51 N 5.85 1.75 0.21 5.86 -0.02 -1.26 -4.88 135.00 142.50 2rsp n PRO 51 Ca 0.12 0.63 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 2rsp n PRO 51 Cb 0.46 -2.36 0.78 0.00 -0.02 0.00 0.00 33.50 32.36 2rsp n PRO 51 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2rsp h THR 52 N 3.77 0.65 -0.57 3.45 1.35 -1.94 -2.06 112.91 117.55 2rsp h THR 52 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2rsp h THR 52 Cb 1.29 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2rsp h THR 52 CO 0.86 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.23 2rsp n ASP 53 N -4.07 5.67 -4.56 5.36 3.85 -1.26 -4.78 116.55 116.75 2rsp n ASP 53 Ca 0.01 -2.92 -0.41 0.00 -0.71 0.00 0.00 54.79 50.76 2rsp n ASP 53 Cb 0.26 -0.69 -0.08 0.00 -1.35 0.00 0.00 41.12 39.26 2rsp n ASP 53 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 2rsp s TRP 54 N -2.73 3.20 0.55 2.11 0.52 -0.78 -4.91 118.94 116.90 2rsp s TRP 54 Ca 0.54 0.18 -0.19 0.00 0.02 0.00 0.00 56.10 56.65 2rsp s TRP 54 Cb 0.41 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.89 2rsp s TRP 54 CO 0.16 -0.44 1.12 -1.25 0.02 0.00 0.00 176.95 176.55 2rsp s PRO 55 N 2.22 3.34 0.15 4.98 0.04 -1.26 -4.94 135.00 139.54 2rsp s PRO 55 Ca 0.16 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.84 2rsp s PRO 55 Cb -0.16 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2rsp s PRO 55 CO 0.12 -0.85 -0.18 0.14 0.04 0.00 0.00 177.00 176.27 2rsp s VAL 56 N -1.86 1.73 0.37 -0.36 -7.23 -1.26 -0.75 120.40 111.04 2rsp s VAL 56 Ca 0.71 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 2rsp s VAL 56 Cb -0.23 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2rsp s VAL 56 CO 0.28 -0.28 0.24 -0.04 -0.31 0.00 0.00 175.10 174.99 2rsp s MET 57 N -2.61 2.47 0.17 4.82 1.00 0.67 -4.76 119.30 121.05 2rsp s MET 57 Ca 0.13 -1.54 0.08 0.00 0.00 0.00 0.00 55.69 54.36 2rsp s MET 57 Cb -0.06 -2.26 -0.04 0.00 0.00 0.00 0.00 34.83 32.46 2rsp s MET 57 CO 0.06 -0.01 -0.04 -1.83 0.00 0.00 0.00 175.02 173.19 2rsp s GLU 58 N -3.96 2.26 1.57 2.03 -1.05 -1.26 -2.54 118.70 115.74 2rsp s GLU 58 Ca 0.42 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2rsp s GLU 58 Cb -0.02 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 2rsp s GLU 58 CO 0.25 0.45 0.00 0.41 0.95 0.00 0.00 175.26 177.32 2rsp n GLY 70 N -0.01 -1.38 2.98 -3.83 0.00 -1.26 -4.78 105.19 96.92 2rsp n GLY 70 Ca -0.10 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 2rsp n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rsp s ILE 71 N -0.10 1.19 -0.60 -0.61 1.01 -1.26 -5.08 121.20 115.76 2rsp s ILE 71 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 2rsp s ILE 71 Cb 0.00 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2rsp s ILE 71 CO 0.00 0.38 1.68 -2.84 0.00 0.00 0.00 174.94 174.16 2rsp s PRO 72 N 1.19 2.90 0.11 2.79 0.02 -1.26 -4.99 135.00 135.77 2rsp s PRO 72 Ca -0.04 0.52 0.04 0.00 0.02 0.00 0.00 61.00 61.54 2rsp s PRO 72 Cb -0.14 -4.29 -0.04 0.00 0.02 0.00 0.00 34.50 30.05 2rsp s PRO 72 CO -0.03 -2.42 -0.10 0.00 -0.33 0.00 0.00 177.00 174.12 2rsp s MET 73 N 6.43 0.90 0.32 5.54 0.23 -1.26 -4.51 119.30 126.94 2rsp s MET 73 Ca 0.60 -1.22 0.09 0.00 -1.03 0.00 0.00 55.69 54.13 2rsp s MET 73 Cb -0.12 -0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 32.56 2rsp s MET 73 CO 0.22 0.09 0.09 1.03 -2.03 0.00 0.00 175.02 174.41 2rsp s ARG 74 N -2.96 2.32 0.13 3.16 0.52 -0.41 -4.91 118.95 116.81 2rsp s ARG 74 Ca 0.08 -1.53 0.09 0.00 -0.52 0.00 0.00 55.73 53.84 2rsp s ARG 74 Cb -0.02 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 2rsp s ARG 74 CO 0.00 0.19 -0.15 0.21 0.02 0.00 0.00 175.30 175.57 2rsp s LYS 75 N -3.78 1.91 0.30 3.54 2.20 -1.05 0.04 119.74 122.89 2rsp s LYS 75 Ca 0.36 -1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 2rsp s LYS 75 Cb -0.03 -2.16 -0.10 0.00 -1.51 0.00 0.00 37.83 34.03 2rsp s LYS 75 CO 0.22 0.48 1.34 0.45 -0.36 0.00 0.00 175.35 177.47 2rsp s SER 76 N -2.31 6.75 0.05 1.43 0.15 0.30 -0.24 113.70 119.82 2rsp s SER 76 Ca 0.20 2.66 -0.08 0.00 0.70 0.00 0.00 55.95 59.43 2rsp s SER 76 Cb -0.10 -2.64 -0.31 0.00 -1.71 0.00 0.00 66.02 61.26 2rsp s SER 76 CO 0.12 -0.58 1.04 -0.09 1.20 0.00 0.00 173.24 174.92 2rsp h ARG 77 N 4.03 0.36 -6.52 5.44 2.43 -1.24 -3.44 114.38 115.44 2rsp h ARG 77 Ca -0.48 -0.61 -0.52 0.00 -0.81 0.00 0.00 59.98 57.56 2rsp h ARG 77 Cb 1.22 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 2rsp h ARG 77 CO 0.70 1.28 -0.10 -0.51 -1.51 0.00 0.00 179.97 179.83 2rsp s ASP 78 N -7.27 6.50 0.06 -3.80 -0.00 -1.26 -5.05 116.67 105.85 2rsp s ASP 78 Ca -0.07 0.82 -0.31 0.00 -0.00 0.00 0.00 52.55 53.00 2rsp s ASP 78 Cb 0.06 -2.19 -0.06 0.00 -0.00 0.00 0.00 42.92 40.74 2rsp s ASP 78 CO 0.90 -0.19 1.19 -0.32 -0.00 0.00 0.00 175.17 176.75 2rsp s MET 79 N -3.39 4.43 -0.09 8.23 -2.45 -1.26 -4.75 119.30 120.02 2rsp s MET 79 Ca 0.46 1.76 0.00 0.00 -1.25 0.00 0.00 55.69 56.66 2rsp s MET 79 Cb -0.11 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.59 2rsp s MET 79 CO 0.28 -0.26 -0.08 0.42 1.05 0.00 0.00 175.02 176.44 2rsp s ILE 80 N 1.08 3.62 -0.20 10.11 -1.09 -0.12 -1.43 121.20 133.16 2rsp s ILE 80 Ca 0.59 -0.50 -0.15 0.00 -2.23 0.00 0.00 60.65 58.36 2rsp s ILE 80 Cb -0.29 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2rsp s ILE 80 CO 0.29 0.57 0.36 -0.70 -1.23 0.00 0.00 174.94 174.23 2rsp s GLU 81 N -0.48 4.17 -0.16 2.79 2.12 -0.63 -0.79 118.70 125.71 2rsp s GLU 81 Ca 0.07 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.55 2rsp s GLU 81 Cb -0.12 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.76 2rsp s GLU 81 CO 0.02 -0.00 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.37 2rsp s LEU 82 N 1.20 2.05 -0.18 2.70 0.20 0.02 -1.10 118.68 123.58 2rsp s LEU 82 Ca 0.17 -0.61 0.00 0.00 0.69 0.00 0.00 54.13 54.39 2rsp s LEU 82 Cb -0.14 -1.42 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 2rsp s LEU 82 CO 0.07 0.01 -0.17 -0.83 -0.29 0.00 0.00 176.35 175.15 2rsp s GLY 83 N 1.20 1.44 0.08 7.98 0.00 0.01 -1.04 107.32 116.98 2rsp s GLY 83 Ca 0.02 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 2rsp s GLY 83 CO -0.10 0.21 0.87 0.14 0.00 0.00 0.00 173.10 174.22 2rsp s VAL 84 N 1.16 4.61 -0.13 1.40 1.01 -1.26 -0.74 120.40 126.45 2rsp s VAL 84 Ca 0.01 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.86 2rsp s VAL 84 Cb -0.14 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2rsp s VAL 84 CO -0.07 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 174.58 2rsp s ILE 85 N -0.03 2.73 0.68 2.22 1.01 0.94 -1.25 121.20 127.50 2rsp s ILE 85 Ca 0.43 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 2rsp s ILE 85 Cb -0.22 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.14 2rsp s ILE 85 CO 0.27 0.53 1.04 0.20 0.00 0.00 0.00 174.94 176.97 2rsp s ASN 86 N 0.49 5.36 0.30 3.58 0.01 0.21 -2.92 114.94 121.98 2rsp s ASN 86 Ca -0.11 0.92 0.06 0.00 -0.71 0.00 0.00 52.86 53.02 2rsp s ASN 86 Cb -0.16 -1.74 0.78 0.00 0.41 0.00 0.00 41.25 40.54 2rsp s ASN 86 CO 0.05 -1.32 1.74 -0.09 -1.51 0.00 0.00 177.10 175.96 2rsp h ARG 87 N -0.54 0.59 -0.54 -0.60 2.43 -1.94 0.74 114.38 114.53 2rsp h ARG 87 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2rsp h ARG 87 Cb 1.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2rsp h ARG 87 CO 0.63 0.39 0.00 -0.40 -1.51 0.00 0.00 179.97 179.08 2rsp n ASP 88 N -4.88 2.26 0.00 -3.80 3.85 -1.26 -4.87 116.55 107.85 2rsp n ASP 88 Ca 0.24 -2.17 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2rsp n ASP 88 Cb 0.65 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 2rsp n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2rsp n GLY 89 N 0.67 1.04 3.80 6.12 0.00 0.26 -5.03 105.19 112.05 2rsp n GLY 89 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2rsp n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rsp s SER 90 N -3.06 7.11 0.01 1.61 1.04 -1.26 -4.71 113.70 114.44 2rsp s SER 90 Ca 0.00 1.79 -0.17 0.00 0.48 0.00 0.00 55.95 58.05 2rsp s SER 90 Cb 0.00 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 2rsp s SER 90 CO 0.00 -0.24 0.48 -0.76 0.98 0.00 0.00 173.24 173.70 2rsp s LEU 91 N -2.62 4.47 0.55 2.42 1.02 -1.26 0.63 118.68 123.89 2rsp s LEU 91 Ca 0.56 1.06 0.03 0.00 0.02 0.00 0.00 54.13 55.80 2rsp s LEU 91 Cb -0.15 -2.72 0.04 0.00 0.02 0.00 0.00 46.19 43.38 2rsp s LEU 91 CO 0.19 0.26 0.76 -1.61 0.02 0.00 0.00 176.35 175.97 2rsp s GLU 92 N -0.84 2.48 0.23 1.70 0.41 -0.38 -4.97 118.70 117.33 2rsp s GLU 92 Ca 0.26 -0.95 -0.31 0.00 -0.41 0.00 0.00 54.97 53.56 2rsp s GLU 92 Cb -0.18 -2.53 -0.11 0.00 -1.78 0.00 0.00 34.13 29.54 2rsp s GLU 92 CO 0.15 -0.73 1.56 -0.98 -0.49 0.00 0.00 175.26 174.77 2rsp s ARG 93 N -4.73 4.19 0.55 1.61 1.70 -1.26 -4.53 118.95 116.48 2rsp s ARG 93 Ca 0.58 2.43 -0.21 0.00 -0.47 0.00 0.00 55.73 58.07 2rsp s ARG 93 Cb -0.09 -3.10 -0.05 0.00 -0.57 0.00 0.00 34.95 31.14 2rsp s ARG 93 CO 0.38 -0.58 1.28 -1.25 -1.08 0.00 0.00 175.30 174.05 2rsp s PRO 94 N 0.27 3.17 0.25 3.89 0.05 -1.26 -4.70 135.00 136.67 2rsp s PRO 94 Ca 0.66 2.04 0.10 0.00 0.05 0.00 0.00 61.00 63.85 2rsp s PRO 94 Cb -0.45 -2.17 -0.05 0.00 0.05 0.00 0.00 34.50 31.88 2rsp s PRO 94 CO 0.39 -1.11 -0.18 -0.51 0.05 0.00 0.00 177.00 175.65 2rsp s LEU 95 N -3.63 2.57 -0.06 -3.56 1.43 -0.21 -4.92 118.68 110.30 2rsp s LEU 95 Ca 0.72 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2rsp s LEU 95 Cb -0.36 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2rsp s LEU 95 CO 0.41 -0.04 -0.17 -0.76 0.23 0.00 0.00 176.35 176.03 2rsp s LEU 96 N -3.41 2.57 0.34 1.79 1.43 -1.26 -0.80 118.68 119.35 2rsp s LEU 96 Ca 0.27 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 2rsp s LEU 96 Cb -0.04 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.72 2rsp s LEU 96 CO 0.12 0.30 0.82 -1.48 0.23 0.00 0.00 176.35 176.33 2rsp s LEU 97 N -0.44 -0.03 -0.62 1.79 2.34 0.03 -4.98 118.68 116.77 2rsp s LEU 97 Ca 0.05 -1.01 -0.03 0.00 0.06 0.00 0.00 54.13 53.20 2rsp s LEU 97 Cb -0.12 2.73 0.16 0.00 -0.56 0.00 0.00 46.19 48.40 2rsp s LEU 97 CO 0.02 -1.55 0.43 -0.36 -1.06 0.00 0.00 176.35 173.83 2rsp s PHE 98 N -2.50 3.43 0.82 3.48 0.40 -1.26 -0.95 117.98 121.39 2rsp s PHE 98 Ca 0.16 -2.68 -0.11 0.00 -0.60 0.00 0.00 56.93 53.69 2rsp s PHE 98 Cb -0.05 -3.21 0.08 0.00 0.51 0.00 0.00 43.02 40.35 2rsp s PHE 98 CO 0.10 -0.85 1.09 -1.25 0.70 0.00 0.00 175.22 175.01 2rsp s PRO 99 N 0.01 1.90 0.41 0.24 0.04 -1.26 -4.56 135.00 131.78 2rsp s PRO 99 Ca 0.16 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 2rsp s PRO 99 Cb -0.20 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2rsp s PRO 99 CO -0.04 -1.80 0.74 0.00 0.04 0.00 0.00 177.00 175.95 2rsp s ALA 100 N -3.01 3.40 -0.05 8.56 0.00 -0.69 -0.54 121.76 129.42 2rsp s ALA 100 Ca 0.61 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2rsp s ALA 100 Cb -0.16 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2rsp s ALA 100 CO 0.56 -0.06 -0.09 0.08 0.00 0.00 0.00 175.76 176.24 2rsp s VAL 101 N -2.42 0.91 0.23 0.00 1.01 0.11 -0.90 120.40 119.33 2rsp s VAL 101 Ca 0.49 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2rsp s VAL 101 Cb -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2rsp s VAL 101 CO 0.34 0.30 0.51 0.00 0.00 0.00 0.00 175.10 176.26 2rsp s ALA 102 N 0.70 -0.58 -1.07 5.51 0.00 -0.91 -1.29 121.76 124.12 2rsp s ALA 102 Ca -0.13 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2rsp s ALA 102 Cb -0.15 0.95 0.11 0.00 0.00 0.00 0.00 23.12 24.04 2rsp s ALA 102 CO 0.02 -0.85 1.36 1.41 0.00 0.00 0.00 175.76 177.71 2rsp s MET 103 N -3.96 3.78 0.31 0.00 1.75 -1.26 -0.95 119.30 118.97 2rsp s MET 103 Ca 0.16 -1.86 0.06 0.00 -1.25 0.00 0.00 55.69 52.80 2rsp s MET 103 Cb -0.01 -5.14 -0.06 0.00 2.84 0.00 0.00 34.83 32.45 2rsp s MET 103 CO 0.04 -1.94 -0.03 0.14 -0.65 0.00 0.00 175.02 172.58 2rsp s VAL 104 N 3.13 1.64 0.10 10.11 -7.23 -1.26 -5.00 120.40 121.89 2rsp s VAL 104 Ca 0.41 -2.10 -0.35 0.00 -1.81 0.00 0.00 61.98 58.14 2rsp s VAL 104 Cb -0.02 -2.58 -0.15 0.00 0.56 0.00 0.00 36.38 34.19 2rsp s VAL 104 CO -0.05 -0.21 1.56 0.03 -0.31 0.00 0.00 175.10 176.13 2rsp h ARG 105 N 2.18 -0.82 -3.78 4.82 3.08 -2.01 -3.44 114.38 114.42 2rsp h ARG 105 Ca -0.41 0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 2rsp h ARG 105 Cb 1.24 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 31.37 2rsp h ARG 105 CO 0.69 -0.55 -0.20 0.20 -1.07 0.00 0.00 179.97 179.05 2rsp s GLY 106 N -2.20 0.61 0.62 0.04 0.00 -1.26 -5.04 107.32 100.08 2rsp s GLY 106 Ca -0.17 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 2rsp s GLY 106 CO 0.61 -0.73 1.12 -0.56 0.00 0.00 0.00 173.10 173.54 2rsp s SER 107 N -3.02 5.32 -0.04 1.64 0.01 -1.26 -4.58 113.70 111.76 2rsp s SER 107 Ca 0.23 2.06 0.03 0.00 1.31 0.00 0.00 55.95 59.58 2rsp s SER 107 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2rsp s SER 107 CO 0.08 -1.49 -0.12 -0.63 0.41 0.00 0.00 173.24 171.49 2rsp s ILE 108 N -2.14 1.06 -0.38 1.44 1.01 0.33 -0.99 121.20 121.54 2rsp s ILE 108 Ca 0.69 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2rsp s ILE 108 Cb -0.22 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2rsp s ILE 108 CO 0.36 0.32 0.26 -0.76 0.00 0.00 0.00 174.94 175.13 2rsp s LEU 109 N 0.30 4.82 0.00 2.97 1.43 0.13 -1.41 118.68 126.91 2rsp s LEU 109 Ca -0.07 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2rsp s LEU 109 Cb -0.12 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2rsp s LEU 109 CO 0.02 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.84 2rsp n GLY 110 N 5.11 0.39 0.30 -3.19 0.00 -1.23 -1.48 105.19 105.08 2rsp n GLY 110 Ca -0.12 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.21 2rsp n GLY 110 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rsp h ARG 111 N 0.00 0.00 -0.24 1.61 3.08 -0.40 -1.13 114.38 117.30 2rsp h ARG 111 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2rsp h ARG 111 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2rsp h ARG 111 CO 0.00 0.04 0.09 0.38 -1.07 0.00 0.00 179.97 179.40 2rsp h ASP 112 N 0.00 0.35 0.17 7.04 2.03 -1.80 0.60 116.42 124.81 2rsp h ASP 112 Ca -0.00 -0.19 -0.24 0.00 -0.73 0.00 0.00 57.03 55.87 2rsp h ASP 112 Cb 0.15 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.57 2rsp h ASP 112 CO 0.00 0.44 -0.98 0.00 -1.03 0.00 0.00 179.24 177.67 2rsp h LEU 114 N 0.31 1.00 -0.23 0.00 3.38 -1.06 -0.51 115.31 118.21 2rsp h LEU 114 Ca -0.10 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 2rsp h LEU 114 Cb 1.62 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.13 2rsp h LEU 114 CO 0.18 0.74 -0.67 -0.61 0.09 0.00 0.00 178.44 178.17 2rsp h GLN 115 N 1.17 0.83 -0.43 1.13 4.15 -0.97 -1.33 115.11 119.65 2rsp h GLN 115 Ca 0.31 -0.60 0.08 0.00 0.77 0.00 0.00 58.65 59.20 2rsp h GLN 115 Cb -0.10 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2rsp h GLN 115 CO -0.06 1.22 0.30 0.78 -1.93 0.00 0.00 178.83 179.14 2rsp h GLY 116 N 0.63 0.34 1.76 2.39 0.00 -1.12 -0.24 103.07 106.82 2rsp h GLY 116 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2rsp h GLY 116 CO 0.14 0.07 -0.15 1.04 0.00 0.00 0.00 176.54 177.65 2rsp n LEU 117 N -4.47 0.44 0.00 3.11 4.77 -0.25 -4.95 117.00 115.65 2rsp n LEU 117 Ca 0.06 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2rsp n LEU 117 Cb 0.32 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2rsp n LEU 117 CO 0.35 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2rsp n GLY 118 N 1.41 0.39 3.84 -0.72 0.00 -0.10 -5.01 105.19 105.00 2rsp n GLY 118 Ca 0.06 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2rsp n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rsp s LEU 119 N 0.00 3.56 0.06 0.99 1.43 -0.83 -5.04 118.68 118.85 2rsp s LEU 119 Ca 0.00 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2rsp s LEU 119 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2rsp s LEU 119 CO 0.00 -0.68 -0.06 0.00 0.23 0.00 0.00 176.35 175.84 2rsp s ARG 120 N -4.22 0.65 -0.24 1.70 1.70 -1.26 -4.87 118.95 112.41 2rsp s ARG 120 Ca 0.59 -1.08 -0.11 0.00 -0.47 0.00 0.00 55.73 54.66 2rsp s ARG 120 Cb -0.11 -0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.12 2rsp s ARG 120 CO 0.35 -0.02 0.18 -0.51 -1.08 0.00 0.00 175.30 174.22 2rsp s LEU 121 N -2.46 4.11 0.06 -1.89 1.43 -1.26 -5.08 118.68 113.59 2rsp s LEU 121 Ca 0.02 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 2rsp s LEU 121 Cb 0.00 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 44.13 2rsp s LEU 121 CO -0.04 0.04 0.50 0.28 0.23 0.00 0.00 176.35 177.36 2rsp s THR 122 N 1.15 0.03 -0.10 5.49 -1.32 -1.26 -5.03 115.64 114.62 2rsp s THR 122 Ca 0.08 -0.29 0.13 0.00 -1.21 0.00 0.00 61.69 60.41 2rsp s THR 122 Cb -0.14 -0.99 0.21 0.00 -1.51 0.00 0.00 72.50 70.06 2rsp s THR 122 CO 0.05 -0.16 1.11 -0.46 -2.21 0.00 0.00 174.62 172.96 2rsp n ASN 123 N 0.30 2.27 -0.41 8.08 0.23 -1.26 -5.10 115.26 119.37 2rsp n ASN 123 Ca -0.18 -2.75 0.05 0.00 -0.53 0.00 0.00 54.58 51.17 2rsp n ASN 123 Cb 0.61 -0.30 0.04 0.00 -2.08 0.00 0.00 39.78 38.05 2rsp n ASN 123 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51