#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdu s ALA 2 N 0.00 -0.55 -0.13 -5.12 0.00 -1.14 -4.94 121.76 109.89 1rdu s ALA 2 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1rdu s ALA 2 Cb 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1rdu s ALA 2 CO 0.00 -0.96 -0.14 1.03 0.00 0.00 0.00 175.76 175.70 1rdu s ARG 3 N -2.69 3.36 -0.09 0.00 0.52 -1.26 -0.83 118.95 117.96 1rdu s ARG 3 Ca 0.17 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1rdu s ARG 3 Cb -0.04 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 1rdu s ARG 3 CO 0.12 0.22 -0.16 0.54 0.02 0.00 0.00 175.30 176.05 1rdu s VAL 4 N 0.33 2.87 -0.00 3.52 0.11 -0.41 -1.11 120.40 125.71 1rdu s VAL 4 Ca -0.11 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1rdu s VAL 4 Cb -0.16 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1rdu s VAL 4 CO 0.06 0.56 -0.07 0.00 -3.33 0.00 0.00 175.10 172.31 1rdu s ALA 5 N -0.11 3.00 -0.11 1.54 0.00 -0.89 -0.77 121.76 124.42 1rdu s ALA 5 Ca -0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1rdu s ALA 5 Cb -0.14 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1rdu s ALA 5 CO 0.04 0.61 -0.09 0.42 0.00 0.00 0.00 175.76 176.74 1rdu s ILE 6 N -0.98 1.12 -0.35 0.00 1.09 0.13 -1.50 121.20 120.71 1rdu s ILE 6 Ca 0.17 -0.35 -0.29 0.00 -1.10 0.00 0.00 60.65 59.07 1rdu s ILE 6 Cb -0.11 -1.11 -0.00 0.00 -1.06 0.00 0.00 42.46 40.18 1rdu s ILE 6 CO 0.07 0.38 1.50 -2.16 -0.10 0.00 0.00 174.94 174.63 1rdu s PRO 7 N 1.58 3.62 0.43 2.79 0.04 -1.26 -1.53 135.00 140.67 1rdu s PRO 7 Ca 0.03 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.33 1rdu s PRO 7 Cb -0.13 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1rdu s PRO 7 CO -0.08 -1.51 0.22 0.45 0.04 0.00 0.00 177.00 176.13 1rdu s SER 8 N 4.19 4.51 -0.28 6.66 0.15 0.31 -0.56 113.70 128.68 1rdu s SER 8 Ca 0.65 -1.08 0.11 0.00 0.70 0.00 0.00 55.95 56.34 1rdu s SER 8 Cb -0.17 -0.38 0.47 0.00 -1.71 0.00 0.00 66.02 64.23 1rdu s SER 8 CO 0.31 -0.62 1.17 1.33 1.20 0.00 0.00 173.24 176.63 1rdu n VAL 9 N -1.32 2.19 -1.74 4.45 0.24 -0.48 -2.01 118.33 119.66 1rdu n VAL 9 Ca -0.01 -3.83 0.00 0.00 -2.04 0.00 0.00 64.34 58.46 1rdu n VAL 9 Cb 0.64 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1rdu n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rdu n GLY 10 N -0.69 -1.32 1.97 7.63 0.00 -1.26 -4.75 105.19 106.77 1rdu n GLY 10 Ca 0.34 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1rdu n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rdu n LYS 11 N -0.07 3.22 -4.34 1.61 5.02 -1.26 -4.74 118.16 117.60 1rdu n LYS 11 Ca 0.00 -3.89 -0.25 0.00 -2.02 0.00 0.00 58.31 52.16 1rdu n LYS 11 Cb 0.00 -2.22 -0.13 0.00 -0.02 0.00 0.00 35.03 32.66 1rdu n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rdu s ASP 12 N -3.14 2.61 0.00 4.39 1.01 -1.26 -5.00 116.67 115.28 1rdu s ASP 12 Ca 0.53 -0.67 0.12 0.00 0.71 0.00 0.00 52.55 53.24 1rdu s ASP 12 Cb 0.43 -0.16 0.73 0.00 1.01 0.00 0.00 42.92 44.93 1rdu s ASP 12 CO 0.02 0.08 1.16 -0.11 0.21 0.00 0.00 175.17 176.53 1rdu n LEU 13 N 1.16 0.00 -2.38 1.23 -0.00 -1.26 -1.23 117.00 114.52 1rdu n LEU 13 Ca -0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.77 1rdu n LEU 13 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.00 1rdu n LEU 13 CO 0.22 0.00 0.06 -0.24 -0.00 0.00 0.00 177.39 177.44 1rdu n SER 14 N -0.89 2.35 -4.85 1.96 2.88 -1.26 -1.73 113.62 112.08 1rdu n SER 14 Ca 0.09 -2.54 -0.29 0.00 -1.33 0.00 0.00 58.87 54.80 1rdu n SER 14 Cb 0.04 -0.43 0.10 0.00 -0.75 0.00 0.00 64.21 63.17 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1rdu s SER 15 N -3.53 4.41 0.25 -3.46 0.01 -0.37 -4.81 113.70 106.21 1rdu s SER 15 Ca 0.34 0.73 -0.30 0.00 1.31 0.00 0.00 55.95 58.04 1rdu s SER 15 Cb 0.35 -1.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.29 1rdu s SER 15 CO -0.04 -1.96 0.99 -0.04 0.41 0.00 0.00 173.24 172.61 1rdu s MET 16 N -5.59 4.79 0.42 12.44 -1.94 -1.26 -0.66 119.30 127.49 1rdu s MET 16 Ca 0.63 1.58 -0.23 0.00 -1.71 0.00 0.00 55.69 55.97 1rdu s MET 16 Cb -0.10 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.38 1rdu s MET 16 CO 0.49 0.41 1.01 0.08 -0.01 0.00 0.00 175.02 177.00 1rdu s VAL 17 N -1.11 3.95 -0.12 -6.03 1.01 -0.47 -1.38 120.40 116.25 1rdu s VAL 17 Ca 0.42 1.37 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 1rdu s VAL 17 Cb -0.28 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1rdu s VAL 17 CO 0.35 -0.11 -0.05 -0.55 0.00 0.00 0.00 175.10 174.73 1rdu s SER 18 N -1.81 4.69 -0.03 3.32 0.15 0.28 -4.79 113.70 115.52 1rdu s SER 18 Ca 0.60 -0.10 -0.00 0.00 0.70 0.00 0.00 55.95 57.15 1rdu s SER 18 Cb -0.17 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1rdu s SER 18 CO 0.22 0.25 1.82 0.47 1.20 0.00 0.00 173.24 177.19 1rdu n ASP 19 N 3.02 4.99 -2.92 5.45 9.92 -1.26 -4.42 116.55 131.33 1rdu n ASP 19 Ca -0.18 -2.39 -0.00 0.00 -0.53 0.00 0.00 54.79 51.69 1rdu n ASP 19 Cb 0.53 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdu s ARG 20 N -0.16 0.57 0.18 -1.24 1.70 -1.26 -4.17 118.95 114.57 1rdu s ARG 20 Ca 0.03 -0.32 -0.20 0.00 -0.47 0.00 0.00 55.73 54.76 1rdu s ARG 20 Cb 0.02 0.03 0.10 0.00 -0.57 0.00 0.00 34.95 34.54 1rdu s ARG 20 CO 0.00 -0.78 1.61 0.35 -1.08 0.00 0.00 175.30 175.40 1rdu h PHE 21 N 5.76 -0.73 0.00 5.89 3.57 -1.34 -2.05 116.94 128.04 1rdu h PHE 21 Ca 0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rdu h PHE 21 Cb 1.18 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1rdu h PHE 21 CO 0.03 -0.34 0.00 0.00 -2.23 0.00 0.00 178.31 175.76 1rdu n ALA 22 N -3.00 2.11 -3.17 2.41 0.00 -1.26 -2.92 120.51 114.67 1rdu n ALA 22 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1rdu n ALA 22 Cb 0.33 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1rdu n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rdu n ARG 23 N -1.34 1.97 -3.96 0.00 1.74 -0.79 -4.74 116.66 109.54 1rdu n ARG 23 Ca 0.09 -4.10 -0.26 0.00 -0.77 0.00 0.00 57.85 52.81 1rdu n ARG 23 Cb 0.20 -1.90 -0.17 0.00 -1.02 0.00 0.00 32.46 29.57 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rdu s ALA 24 N -2.49 1.26 -0.33 7.54 0.00 -1.13 -4.73 121.76 121.88 1rdu s ALA 24 Ca 0.42 -0.49 0.27 0.00 0.00 0.00 0.00 51.96 52.16 1rdu s ALA 24 Cb 0.24 -0.86 1.03 0.00 0.00 0.00 0.00 23.12 23.53 1rdu s ALA 24 CO -0.09 -0.36 1.80 0.93 0.00 0.00 0.00 175.76 178.04 1rdu h GLU 25 N 8.05 0.00 -4.02 0.00 5.08 -1.61 -3.44 114.58 118.64 1rdu h GLU 25 Ca -0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 1rdu h GLU 25 Cb 1.14 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.21 1rdu h GLU 25 CO 0.40 0.00 -0.65 0.71 -1.00 0.00 0.00 179.01 178.48 1rdu s TYR 26 N -3.39 0.33 -0.21 4.33 2.02 -0.87 -1.11 117.35 118.46 1rdu s TYR 26 Ca 0.04 -0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 55.99 1rdu s TYR 26 Cb 0.09 -0.25 0.07 0.00 -0.40 0.00 0.00 41.96 41.48 1rdu s TYR 26 CO 0.49 -0.30 0.09 -0.06 -1.57 0.00 0.00 175.55 174.20 1rdu s PHE 27 N -2.60 0.38 -0.32 2.71 0.08 0.22 -0.53 117.98 117.92 1rdu s PHE 27 Ca -0.05 -0.57 -0.17 0.00 0.12 0.00 0.00 56.93 56.26 1rdu s PHE 27 Cb -0.01 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1rdu s PHE 27 CO -0.05 -0.61 0.49 0.42 -0.10 0.00 0.00 175.22 175.37 1rdu s ILE 28 N 2.08 5.05 -0.42 0.64 1.09 -0.58 -0.88 121.20 128.17 1rdu s ILE 28 Ca 0.04 0.50 -0.06 0.00 -1.10 0.00 0.00 60.65 60.02 1rdu s ILE 28 Cb -0.16 -3.89 0.10 0.00 -1.06 0.00 0.00 42.46 37.45 1rdu s ILE 28 CO -0.16 -0.09 0.25 -0.63 -0.10 0.00 0.00 174.94 174.21 1rdu s ILE 29 N 2.32 3.76 -0.32 2.92 1.01 0.10 -0.69 121.20 130.30 1rdu s ILE 29 Ca 0.19 -1.78 -0.22 0.00 0.00 0.00 0.00 60.65 58.84 1rdu s ILE 29 Cb -0.16 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1rdu s ILE 29 CO 0.12 -0.64 0.70 -0.47 0.00 0.00 0.00 174.94 174.65 1rdu s TYR 30 N 1.28 3.19 -0.72 3.97 5.04 0.05 -2.17 117.35 127.99 1rdu s TYR 30 Ca 0.05 0.62 -0.27 0.00 -2.44 0.00 0.00 57.07 55.03 1rdu s TYR 30 Cb -0.24 -3.14 0.02 0.00 0.35 0.00 0.00 41.96 38.96 1rdu s TYR 30 CO -0.02 -0.56 1.36 -0.51 -1.34 0.00 0.00 175.55 174.48 1rdu s ASP 31 N 1.68 6.04 -1.03 4.32 1.01 -0.18 -1.28 116.67 127.23 1rdu s ASP 31 Ca 0.28 -0.34 -0.19 0.00 0.71 0.00 0.00 52.55 53.01 1rdu s ASP 31 Cb -0.14 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 1rdu s ASP 31 CO 0.13 -1.91 2.03 0.35 0.21 0.00 0.00 175.17 175.98 1rdu n THR 32 N 6.49 2.43 0.07 -1.27 -2.24 -0.01 -3.11 114.28 116.64 1rdu n THR 32 Ca 0.05 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1rdu n THR 32 Cb 0.49 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 1rdu n THR 32 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rdu n GLU 33 N 6.72 0.00 -2.24 -0.78 2.13 -1.26 -2.86 120.64 122.34 1rdu n GLU 33 Ca 0.50 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.31 1rdu n GLU 33 Cb 0.40 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.16 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1rdu n SER 34 N -2.80 1.85 -0.24 4.31 7.64 -1.18 -4.99 113.62 118.21 1rdu n SER 34 Ca 0.00 -2.35 -0.02 0.00 1.01 0.00 0.00 58.87 57.51 1rdu n SER 34 Cb 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rdu n GLY 35 N -0.35 0.21 3.77 0.23 0.00 -1.19 -4.94 105.19 102.92 1rdu n GLY 35 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1rdu n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rdu s ASN 36 N -1.35 6.86 0.19 1.61 3.84 -1.25 -4.88 114.94 119.95 1rdu s ASN 36 Ca 0.00 2.36 0.06 0.00 0.21 0.00 0.00 52.86 55.49 1rdu s ASN 36 Cb 0.00 -2.62 -0.05 0.00 -0.55 0.00 0.00 41.25 38.03 1rdu s ASN 36 CO 0.00 -0.44 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.06 1rdu s VAL 37 N -1.29 1.51 0.00 -5.21 1.01 -1.26 -1.01 120.40 114.16 1rdu s VAL 37 Ca 0.51 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 60.35 1rdu s VAL 37 Cb -0.32 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1rdu s VAL 37 CO 0.41 -0.61 -0.04 -0.70 0.00 0.00 0.00 175.10 174.16 1rdu s GLU 38 N -3.69 0.31 -0.31 2.72 2.56 -0.92 -4.96 118.70 114.40 1rdu s GLU 38 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 54.97 54.85 1rdu s GLU 38 Cb 0.01 -0.24 -0.02 0.00 2.00 0.00 0.00 34.13 35.88 1rdu s GLU 38 CO 0.05 0.06 0.17 0.08 -0.56 0.00 0.00 175.26 175.06 1rdu s VAL 39 N -0.33 4.85 0.00 3.70 1.01 -1.26 -0.72 120.40 127.65 1rdu s VAL 39 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 1rdu s VAL 39 Cb -0.03 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1rdu s VAL 39 CO -0.00 0.10 0.77 -0.69 0.00 0.00 0.00 175.10 175.28 1rdu s VAL 40 N 1.66 4.85 0.07 2.92 1.01 -0.06 -4.96 120.40 125.89 1rdu s VAL 40 Ca 0.05 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 1rdu s VAL 40 Cb -0.17 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1rdu s VAL 40 CO 0.08 0.30 0.71 -0.70 0.00 0.00 0.00 175.10 175.49 1rdu s GLU 41 N 0.35 4.45 -0.08 2.72 2.12 -1.26 -0.61 118.70 126.39 1rdu s GLU 41 Ca 0.40 0.99 -0.04 0.00 0.36 0.00 0.00 54.97 56.68 1rdu s GLU 41 Cb -0.20 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.91 1rdu s GLU 41 CO 0.22 0.41 0.18 1.21 -0.54 0.00 0.00 175.26 176.74 1rdu s ASN 42 N -0.47 -0.17 -0.79 -1.70 3.84 -0.27 -4.94 114.94 110.44 1rdu s ASN 42 Ca 0.35 0.38 -0.01 0.00 0.21 0.00 0.00 52.86 53.80 1rdu s ASN 42 Cb -0.21 0.29 0.36 0.00 -0.55 0.00 0.00 41.25 41.15 1rdu s ASN 42 CO 0.22 -0.14 1.88 0.35 -2.79 0.00 0.00 177.10 176.62 1rdu n THR 43 N 3.96 3.45 -0.43 -5.21 -2.24 -1.26 -4.38 114.28 108.17 1rdu n THR 43 Ca -0.23 -4.43 0.00 0.00 -2.27 0.00 0.00 64.05 57.11 1rdu n THR 43 Cb 0.54 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1rdu n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1rdu n ILE 44 N -0.52 1.91 -0.65 2.28 -0.00 -1.26 -4.54 119.36 116.57 1rdu n ILE 44 Ca 0.51 -0.47 -0.08 0.00 -0.00 0.00 0.00 62.75 62.72 1rdu n ILE 44 Cb 0.30 -1.47 0.02 0.00 -0.00 0.00 0.00 39.64 38.49 1rdu n ILE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rdu n ALA 45 N 1.48 4.50 -3.42 -1.28 0.00 -1.26 -4.76 120.51 115.77 1rdu n ALA 45 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 1rdu n ALA 45 Cb 0.49 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1rdu n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rdu s ASP 46 N 1.09 0.45 -0.60 0.00 -1.08 -1.26 -5.13 116.67 110.14 1rdu s ASP 46 Ca 0.15 -1.33 0.05 0.00 -0.52 0.00 0.00 52.55 50.90 1rdu s ASP 46 Cb 0.12 0.79 0.20 0.00 -1.46 0.00 0.00 42.92 42.57 1rdu s ASP 46 CO -0.00 -1.55 0.54 0.00 0.52 0.00 0.00 175.17 174.68 1rdu n ALA 47 N -0.56 3.38 -3.75 3.66 0.00 -1.26 -5.06 120.51 116.92 1rdu n ALA 47 Ca -0.05 -4.20 -0.09 0.00 0.00 0.00 0.00 53.44 49.11 1rdu n ALA 47 Cb 0.61 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.15 1rdu n ALA 47 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1rdu s HIS 48 N -1.44 0.12 0.00 0.00 -3.43 -1.26 -5.14 115.29 104.14 1rdu s HIS 48 Ca 0.32 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1rdu s HIS 48 Cb 0.05 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.95 1rdu s HIS 48 CO -0.12 -1.47 0.00 0.41 -2.00 0.00 0.00 174.74 171.56 1rdu n GLY 49 N -0.52 2.54 0.16 -1.38 0.00 -1.26 -5.00 105.19 99.73 1rdu n GLY 49 Ca -0.07 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1rdu n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rdu h THR 50 N 0.00 0.00 -1.39 2.61 1.35 -2.02 -3.44 112.91 110.03 1rdu h THR 50 Ca 0.00 -0.46 -0.63 0.00 -0.55 0.00 0.00 66.41 64.77 1rdu h THR 50 Cb 0.00 1.35 -0.13 0.00 -1.73 0.00 0.00 68.15 67.64 1rdu h THR 50 CO 0.00 0.00 -0.51 -0.83 -0.25 0.00 0.00 175.52 173.93 1rdu s GLY 51 N -3.77 2.86 0.05 5.82 0.00 -1.26 -5.10 107.32 105.92 1rdu s GLY 51 Ca 0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 1rdu s GLY 51 CO 0.52 -2.03 1.47 -0.56 0.00 0.00 0.00 173.10 172.50 1rdu h PRO 52 N 1.54 0.21 0.00 2.90 0.13 -1.94 -3.47 132.00 131.37 1rdu h PRO 52 Ca -0.40 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rdu h PRO 52 Cb 1.30 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1rdu h PRO 52 CO 0.66 0.46 0.00 1.17 -0.23 0.00 0.00 178.00 180.06 1rdu n LYS 53 N -4.79 0.00 0.37 0.86 0.00 -1.26 -4.31 118.16 109.02 1rdu n LYS 53 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.10 1rdu n LYS 53 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.17 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1rdu h VAL 54 N 0.00 0.00 -0.50 3.15 3.04 -1.99 -0.91 116.25 119.04 1rdu h VAL 54 Ca 0.00 -0.13 0.09 0.00 -1.01 0.00 0.00 66.70 65.65 1rdu h VAL 54 Cb 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.21 1rdu h VAL 54 CO 0.00 0.00 0.08 0.58 -1.01 0.00 0.00 177.57 177.22 1rdu h VAL 55 N -1.09 0.70 -0.67 1.51 2.07 -1.97 0.57 116.25 117.38 1rdu h VAL 55 Ca -0.10 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.47 1rdu h VAL 55 Cb 0.73 0.47 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 1rdu h VAL 55 CO 0.16 0.04 -0.28 1.56 0.02 0.00 0.00 177.57 179.07 1rdu h GLN 56 N 0.22 -0.09 0.14 1.57 1.08 -1.80 0.10 115.11 116.33 1rdu h GLN 56 Ca 0.25 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1rdu h GLN 56 Cb 0.34 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1rdu h GLN 56 CO -0.34 -0.06 -0.07 1.03 -0.95 0.00 0.00 178.83 178.45 1rdu h SER 57 N -0.09 -0.15 -0.79 1.46 0.87 0.04 -2.19 113.55 112.69 1rdu h SER 57 Ca 0.29 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1rdu h SER 57 Cb 0.55 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1rdu h SER 57 CO -0.73 0.18 0.44 -0.07 -0.53 0.00 0.00 176.83 176.12 1rdu h LEU 58 N -0.50 0.99 -1.47 2.23 3.38 -0.32 0.16 115.31 119.77 1rdu h LEU 58 Ca -0.02 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1rdu h LEU 58 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1rdu h LEU 58 CO 0.03 0.80 0.36 0.58 0.09 0.00 0.00 178.44 180.30 1rdu h VAL 59 N 1.10 1.14 -0.25 1.22 2.07 -0.89 -1.01 116.25 119.63 1rdu h VAL 59 Ca 0.28 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1rdu h VAL 59 Cb 0.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1rdu h VAL 59 CO -0.05 0.13 -0.14 -1.28 0.02 0.00 0.00 177.57 176.26 1rdu h SER 60 N 0.74 0.40 -0.22 0.57 0.87 -0.09 -1.34 113.55 114.48 1rdu h SER 60 Ca 0.20 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1rdu h SER 60 Cb -0.08 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.71 1rdu h SER 60 CO -0.04 0.57 0.18 0.29 -0.53 0.00 0.00 176.83 177.30 1rdu n LYS 61 N -4.21 1.35 -1.58 2.24 4.01 -0.35 -4.87 118.16 114.75 1rdu n LYS 61 Ca 0.00 -0.70 -0.09 0.00 -0.51 0.00 0.00 58.31 57.01 1rdu n LYS 61 Cb 0.32 -1.27 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 1rdu n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rdu n GLY 62 N 0.82 0.47 3.65 0.72 0.00 -0.50 -4.86 105.19 105.48 1rdu n GLY 62 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1rdu n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rdu s VAL 63 N -1.93 3.54 -0.24 1.61 1.01 -0.99 -4.10 120.40 119.30 1rdu s VAL 63 Ca 0.00 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.73 1rdu s VAL 63 Cb 0.00 -3.45 0.45 0.00 0.00 0.00 0.00 36.38 33.38 1rdu s VAL 63 CO 0.00 -0.09 1.20 -0.62 0.00 0.00 0.00 175.10 175.58 1rdu n GLU 64 N 7.30 2.52 -3.59 2.72 1.02 -0.26 -4.67 120.64 125.67 1rdu n GLU 64 Ca 0.18 -3.68 -0.04 0.00 -0.02 0.00 0.00 57.16 53.60 1rdu n GLU 64 Cb 0.43 -1.86 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 1rdu n GLU 64 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rdu s TYR 65 N -3.29 -0.13 -0.13 -0.32 2.02 -1.15 -2.51 117.35 111.84 1rdu s TYR 65 Ca 0.43 0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.91 1rdu s TYR 65 Cb 0.39 0.52 0.10 0.00 -0.40 0.00 0.00 41.96 42.56 1rdu s TYR 65 CO -0.02 -0.22 0.84 -1.17 -1.57 0.00 0.00 175.55 173.41 1rdu s LEU 66 N -2.25 -0.53 -0.39 -1.29 2.96 0.77 -2.09 118.68 115.86 1rdu s LEU 66 Ca 0.10 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1rdu s LEU 66 Cb -0.01 2.20 0.11 0.00 0.50 0.00 0.00 46.19 49.00 1rdu s LEU 66 CO -0.05 -0.43 0.11 -0.63 -1.32 0.00 0.00 176.35 174.03 1rdu s ILE 67 N -0.91 2.44 -0.28 6.68 1.01 -0.56 -0.19 121.20 129.39 1rdu s ILE 67 Ca -0.05 -2.56 0.01 0.00 0.00 0.00 0.00 60.65 58.05 1rdu s ILE 67 Cb -0.01 -2.76 0.16 0.00 0.01 0.00 0.00 42.46 39.85 1rdu s ILE 67 CO 0.05 -0.65 0.42 0.00 0.00 0.00 0.00 174.94 174.75 1rdu s ALA 68 N 0.64 -1.29 0.56 9.38 0.00 0.51 -4.09 121.76 127.48 1rdu s ALA 68 Ca 0.12 0.56 0.38 0.00 0.00 0.00 0.00 51.96 53.02 1rdu s ALA 68 Cb -0.21 -1.98 1.51 0.00 0.00 0.00 0.00 23.12 22.44 1rdu s ALA 68 CO -0.06 -1.58 1.70 0.66 0.00 0.00 0.00 175.76 176.48 1rdu h SER 69 N 8.15 0.00 -1.10 0.00 4.64 -1.73 -3.40 113.55 120.12 1rdu h SER 69 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1rdu h SER 69 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rdu h SER 69 CO 0.26 0.00 0.05 -3.20 -0.87 0.00 0.00 176.83 173.07 1rdu n ASN 70 N -3.95 -0.26 -4.26 4.97 2.85 -1.26 -4.80 115.26 108.56 1rdu n ASN 70 Ca 0.27 -1.16 -0.18 0.00 -0.11 0.00 0.00 54.58 53.39 1rdu n ASN 70 Cb 1.38 0.42 -0.11 0.00 1.24 0.00 0.00 39.78 42.71 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1rdu s VAL 71 N -2.77 1.41 0.05 3.44 0.11 -1.26 -1.15 120.40 120.24 1rdu s VAL 71 Ca 0.02 -1.77 -0.16 0.00 -2.93 0.00 0.00 61.98 57.14 1rdu s VAL 71 Cb -0.01 -1.61 -0.22 0.00 -1.53 0.00 0.00 36.38 33.02 1rdu s VAL 71 CO 0.01 -0.41 1.18 1.23 -3.33 0.00 0.00 175.10 173.78 1rdu h GLY 72 N 3.43 0.68 0.00 6.54 0.00 -1.85 -3.42 103.07 108.44 1rdu h GLY 72 Ca -0.40 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 45.80 1rdu h GLY 72 CO 0.51 1.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.93 1rdu n ARG 73 N -4.01 0.00 -1.50 4.80 0.63 -1.26 -4.94 116.66 110.37 1rdu n ARG 73 Ca -0.10 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.40 1rdu n ARG 73 Cb 0.77 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.61 1rdu n ARG 73 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rdu n ASN 74 N 0.00 1.91 0.00 6.15 2.85 -1.26 -4.19 115.26 120.72 1rdu n ASN 74 Ca 0.00 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1rdu n ASN 74 Cb 0.00 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 39.69 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rdu n ALA 75 N 12.22 0.00 -0.34 5.20 0.00 -1.26 -4.98 120.51 131.35 1rdu n ALA 75 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.01 1rdu n ALA 75 Cb 0.31 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.09 1rdu n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rdu h PHE 76 N 0.00 1.04 -0.49 0.00 3.57 -2.01 0.04 116.94 119.09 1rdu h PHE 76 Ca 0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1rdu h PHE 76 Cb 0.00 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1rdu h PHE 76 CO 0.00 0.27 -0.01 0.93 -2.23 0.00 0.00 178.31 177.27 1rdu h GLU 77 N 0.77 0.82 0.00 1.11 5.08 -1.93 -2.45 114.58 117.98 1rdu h GLU 77 Ca 0.56 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1rdu h GLU 77 Cb 0.85 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1rdu h GLU 77 CO -0.34 0.83 -0.01 2.41 -1.00 0.00 0.00 179.01 180.90 1rdu n THR 78 N -4.21 0.48 0.17 1.13 -1.04 -0.11 -1.46 114.28 109.23 1rdu n THR 78 Ca 0.02 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.05 61.70 1rdu n THR 78 Cb 0.31 -0.56 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 1rdu n THR 78 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1rdu h LEU 79 N 0.00 -0.42 -1.74 -4.42 3.38 -0.77 -3.28 115.31 108.06 1rdu h LEU 79 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1rdu h LEU 79 Cb 0.69 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1rdu h LEU 79 CO 0.00 0.03 -0.15 0.07 0.09 0.00 0.00 178.44 178.48 1rdu h LYS 80 N -1.05 0.00 -0.97 1.13 2.10 -1.50 -1.53 116.57 114.74 1rdu h LYS 80 Ca -0.05 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.82 1rdu h LYS 80 Cb 0.48 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.73 1rdu h LYS 80 CO 0.08 0.15 0.63 0.00 -2.00 0.00 0.00 179.45 178.31 1rdu h ALA 81 N 1.85 2.13 -0.78 0.07 0.00 -1.33 -0.74 119.26 120.46 1rdu h ALA 81 Ca -0.00 0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 1rdu h ALA 81 Cb 0.28 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.77 1rdu h ALA 81 CO 0.02 -0.47 0.20 0.00 0.00 0.00 0.00 179.25 179.01 1rdu n ALA 82 N -2.47 5.42 -3.26 0.00 0.00 -0.63 -4.96 120.51 114.61 1rdu n ALA 82 Ca 0.22 -3.38 -0.19 0.00 0.00 0.00 0.00 53.44 50.09 1rdu n ALA 82 Cb 0.74 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1rdu n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdu n GLY 83 N -0.96 -0.47 3.70 0.00 0.00 -0.29 -4.92 105.19 102.25 1rdu n GLY 83 Ca 0.51 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 1rdu n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rdu s VAL 84 N -2.69 5.16 -0.41 1.61 1.01 -0.91 -4.89 120.40 119.27 1rdu s VAL 84 Ca 0.33 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 1rdu s VAL 84 Cb -0.19 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1rdu s VAL 84 CO 0.41 0.27 1.15 -0.54 0.00 0.00 0.00 175.10 176.39 1rdu s LYS 85 N 0.99 3.84 -0.26 2.72 1.02 -1.04 -4.51 119.74 122.49 1rdu s LYS 85 Ca 0.25 0.81 -0.13 0.00 0.02 0.00 0.00 55.97 56.92 1rdu s LYS 85 Cb -0.15 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1rdu s LYS 85 CO 0.10 -1.22 0.29 0.08 -0.92 0.00 0.00 175.35 173.68 1rdu s VAL 86 N 4.25 5.25 0.31 3.17 1.01 -1.26 -0.17 120.40 132.97 1rdu s VAL 86 Ca 0.49 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1rdu s VAL 86 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1rdu s VAL 86 CO 0.26 0.22 0.53 -0.31 0.00 0.00 0.00 175.10 175.80 1rdu s TYR 87 N 1.78 3.49 0.46 5.22 1.51 0.73 -0.28 117.35 130.26 1rdu s TYR 87 Ca 0.12 0.43 -0.19 0.00 -1.01 0.00 0.00 57.07 56.41 1rdu s TYR 87 Cb -0.15 -1.95 -0.10 0.00 -0.11 0.00 0.00 41.96 39.65 1rdu s TYR 87 CO 0.09 0.16 0.97 0.50 -1.11 0.00 0.00 175.55 176.17 1rdu s ARG 88 N -3.99 4.09 0.36 -0.62 3.52 0.29 -0.36 118.95 122.23 1rdu s ARG 88 Ca 0.41 1.09 0.04 0.00 -0.13 0.00 0.00 55.73 57.13 1rdu s ARG 88 Cb -0.10 -2.16 -0.05 0.00 -1.56 0.00 0.00 34.95 31.08 1rdu s ARG 88 CO 0.34 -0.16 0.08 0.12 -0.81 0.00 0.00 175.30 174.87 1rdu s PHE 89 N -2.31 1.89 -0.40 5.12 2.19 -1.26 -4.13 117.98 119.07 1rdu s PHE 89 Ca 0.61 -1.07 0.10 0.00 0.33 0.00 0.00 56.93 56.91 1rdu s PHE 89 Cb -0.10 -1.24 0.39 0.00 -1.31 0.00 0.00 43.02 40.75 1rdu s PHE 89 CO 0.20 -0.09 1.23 -1.91 1.83 0.00 0.00 175.22 176.48 1rdu n GLU 90 N -0.77 1.15 0.00 10.12 2.13 -1.26 -4.19 120.64 127.82 1rdu n GLU 90 Ca -0.04 -2.10 0.00 0.00 0.66 0.00 0.00 57.16 55.68 1rdu n GLU 90 Cb 0.66 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 31.92 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rdu n GLY 91 N -0.31 1.49 0.00 8.31 0.00 -1.26 -5.17 105.19 108.24 1rdu n GLY 91 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1rdu n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rdu n GLY 92 N 0.66 0.53 3.96 -0.02 0.00 -1.26 -5.05 105.19 104.01 1rdu n GLY 92 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1rdu n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rdu s THR 93 N -2.00 2.25 0.31 2.61 -4.23 -1.26 -1.37 115.64 111.95 1rdu s THR 93 Ca 0.00 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1rdu s THR 93 Cb 0.00 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.33 1rdu s THR 93 CO 0.00 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.31 1rdu h VAL 94 N -0.61 0.30 -0.23 2.29 2.07 -1.01 -0.48 116.25 118.58 1rdu h VAL 94 Ca -0.41 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1rdu h VAL 94 Cb 1.28 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1rdu h VAL 94 CO 0.48 0.05 -0.25 -0.61 0.02 0.00 0.00 177.57 177.25 1rdu h GLN 95 N 0.25 0.43 -0.33 1.57 4.15 -1.63 -3.21 115.11 116.34 1rdu h GLN 95 Ca 0.63 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.84 1rdu h GLN 95 Cb 1.33 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 1rdu h GLN 95 CO -0.64 0.66 0.04 0.93 -1.93 0.00 0.00 178.83 177.89 1rdu h GLU 96 N 0.38 0.55 -0.81 1.69 4.39 -1.40 0.25 114.58 119.63 1rdu h GLU 96 Ca 0.06 -0.15 0.20 0.00 0.34 0.00 0.00 59.36 59.80 1rdu h GLU 96 Cb 0.65 -0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 29.11 1rdu h GLU 96 CO 0.05 0.65 0.16 0.00 -1.16 0.00 0.00 179.01 178.71 1rdu h ALA 97 N 0.89 1.07 0.01 3.43 0.00 -1.53 0.24 119.26 123.37 1rdu h ALA 97 Ca 0.10 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1rdu h ALA 97 Cb 0.37 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rdu h ALA 97 CO 0.01 -0.42 -0.00 0.82 0.00 0.00 0.00 179.25 179.66 1rdu h ILE 98 N 0.20 1.41 -0.46 0.00 1.08 -1.27 -1.04 117.51 117.43 1rdu h ILE 98 Ca 0.48 -2.01 0.05 0.00 -0.39 0.00 0.00 64.86 63.00 1rdu h ILE 98 Cb 0.91 2.64 -0.03 0.00 -3.07 0.00 0.00 36.82 37.28 1rdu h ILE 98 CO -0.62 0.47 0.31 -0.78 -0.69 0.00 0.00 178.15 176.84 1rdu h ASP 99 N -0.98 0.36 0.31 1.72 3.58 -0.38 0.36 116.42 121.39 1rdu h ASP 99 Ca -0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1rdu h ASP 99 Cb 0.78 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1rdu h ASP 99 CO 0.00 0.24 -0.15 0.00 -2.88 0.00 0.00 179.24 176.45 1rdu h ALA 100 N 1.75 -0.47 -0.92 -0.78 0.00 -0.57 -3.08 119.26 115.18 1rdu h ALA 100 Ca 0.20 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1rdu h ALA 100 Cb 0.26 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1rdu h ALA 100 CO -0.05 -0.44 0.55 0.35 0.00 0.00 0.00 179.25 179.67 1rdu h PHE 101 N -0.96 1.00 0.02 0.00 3.04 -0.58 0.28 116.94 119.75 1rdu h PHE 101 Ca -0.04 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1rdu h PHE 101 Cb 0.32 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1rdu h PHE 101 CO 0.01 0.39 -0.01 0.66 -2.02 0.00 0.00 178.31 177.34 1rdu h SER 102 N 0.89 -0.03 -0.31 0.41 4.64 -0.44 -2.61 113.55 116.10 1rdu h SER 102 Ca 0.46 -0.45 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 1rdu h SER 102 Cb 0.45 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.46 1rdu h SER 102 CO -0.27 0.44 0.25 -0.62 -0.87 0.00 0.00 176.83 175.76 1rdu n GLU 103 N -4.88 1.47 -0.90 4.77 -0.58 -1.09 -4.84 120.64 114.58 1rdu n GLU 103 Ca -0.08 -0.98 -0.04 0.00 -0.42 0.00 0.00 57.16 55.64 1rdu n GLU 103 Cb 0.24 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 1rdu n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rdu n GLY 104 N 0.50 0.40 1.58 0.62 0.00 -0.98 -4.86 105.19 102.45 1rdu n GLY 104 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1rdu n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rdu n ARG 105 N -0.08 1.43 -4.16 1.61 1.74 0.95 -4.85 116.66 113.31 1rdu n ARG 105 Ca -0.04 -0.91 -0.21 0.00 -0.77 0.00 0.00 57.85 55.91 1rdu n ARG 105 Cb 0.38 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 1rdu n ARG 105 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rdu n LEU 106 N 0.49 0.00 -4.26 0.55 4.77 -1.26 -4.77 117.00 112.52 1rdu n LEU 106 Ca 0.18 -2.91 -0.20 0.00 -0.03 0.00 0.00 56.01 53.05 1rdu n LEU 106 Cb 0.67 1.20 -0.11 0.00 -2.33 0.00 0.00 43.42 42.84 1rdu n LEU 106 CO 0.21 -0.46 -0.47 -1.61 -1.33 0.00 0.00 177.39 173.72 1rdu s GLU 107 N -3.36 1.07 -0.82 3.23 0.41 -1.26 -5.00 118.70 112.97 1rdu s GLU 107 Ca 0.26 -1.23 -0.16 0.00 -0.41 0.00 0.00 54.97 53.44 1rdu s GLU 107 Cb 0.01 -1.08 0.17 0.00 -1.78 0.00 0.00 34.13 31.46 1rdu s GLU 107 CO 0.19 0.22 0.87 -2.00 -0.49 0.00 0.00 175.26 174.05 1rdu s GLU 108 N -2.44 3.52 -0.22 1.61 2.12 -1.26 -0.55 118.70 121.47 1rdu s GLU 108 Ca 0.09 -2.07 -0.05 0.00 0.36 0.00 0.00 54.97 53.30 1rdu s GLU 108 Cb -0.07 -4.57 -0.08 0.00 0.26 0.00 0.00 34.13 29.67 1rdu s GLU 108 CO 0.04 -1.48 3.09 -0.11 -0.54 0.00 0.00 175.26 176.26 1rdu n LEU 109 N 5.14 5.87 -1.60 2.70 7.94 0.61 -4.69 117.00 132.96 1rdu n LEU 109 Ca 0.13 -3.55 -0.09 0.00 -1.11 0.00 0.00 56.01 51.39 1rdu n LEU 109 Cb 0.47 -1.30 0.03 0.00 0.53 0.00 0.00 43.42 43.15 1rdu n LEU 109 CO 0.43 1.66 0.99 0.35 -1.11 0.00 0.00 177.39 179.71 1rdu n THR 110 N 1.61 2.18 0.00 1.96 -2.24 -1.20 -4.48 114.28 112.10 1rdu n THR 110 Ca 0.43 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1rdu n THR 110 Cb 0.72 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1rdu n THR 110 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rdu n THR 111 N 0.54 0.00 -3.67 4.28 5.66 -1.26 -5.04 114.28 114.78 1rdu n THR 111 Ca 0.18 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.15 1rdu n THR 111 Cb 0.65 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.42 1rdu n THR 111 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rdu s PHE 112 N 0.00 -0.13 0.13 1.09 -0.71 -1.26 -5.13 117.98 111.97 1rdu s PHE 112 Ca 0.00 -0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.78 1rdu s PHE 112 Cb 0.00 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1rdu s PHE 112 CO 0.00 -0.58 0.11 0.95 -1.34 0.00 0.00 175.22 174.36 1rdu s THR 113 N -2.94 0.10 -0.27 -4.49 -4.23 -1.26 -5.12 115.64 97.44 1rdu s THR 113 Ca 0.12 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.63 1rdu s THR 113 Cb 0.01 -1.93 0.11 0.00 1.34 0.00 0.00 72.50 72.03 1rdu s THR 113 CO -0.01 -0.47 0.94 -0.60 -0.54 0.00 0.00 174.62 173.94 1rdu s ARG 114 N -4.01 0.61 -0.26 3.99 6.06 -1.26 -5.05 118.95 119.03 1rdu s ARG 114 Ca 0.20 0.67 -0.01 0.00 -2.50 0.00 0.00 55.73 54.09 1rdu s ARG 114 Cb 0.06 0.30 0.14 0.00 0.06 0.00 0.00 34.95 35.51 1rdu s ARG 114 CO -0.00 -0.08 0.38 -2.00 -2.50 0.00 0.00 175.30 171.10 1rdu s GLU 115 N 0.16 0.37 0.00 5.12 2.12 -1.26 -5.01 118.70 120.20 1rdu s GLU 115 Ca 0.02 0.34 0.25 0.00 0.36 0.00 0.00 54.97 55.93 1rdu s GLU 115 Cb -0.05 -0.43 0.31 0.00 0.26 0.00 0.00 34.13 34.22 1rdu s GLU 115 CO -0.04 -0.81 1.33 0.41 -0.54 0.00 0.00 175.26 175.61