#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 -1.69 0.42 3.04 0.00 -1.26 -5.01 121.76 117.26 1rdu s ALA 2 Ca 0.00 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1rdu s ALA 2 Cb 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 23.12 23.65 1rdu s ALA 2 CO 0.00 -0.70 0.96 1.03 0.00 0.00 0.00 175.76 177.04 1rdu s ARG 3 N -3.30 4.24 0.13 0.00 0.52 -1.26 -0.69 118.95 118.60 1rdu s ARG 3 Ca 0.01 1.16 0.09 0.00 -0.52 0.00 0.00 55.73 56.47 1rdu s ARG 3 Cb -0.01 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1rdu s ARG 3 CO -0.10 -0.02 -0.15 0.54 0.02 0.00 0.00 175.30 175.59 1rdu s VAL 4 N -2.11 3.00 0.04 3.52 0.11 -0.29 -1.77 120.40 122.89 1rdu s VAL 4 Ca 0.61 -1.52 0.09 0.00 -2.93 0.00 0.00 61.98 58.23 1rdu s VAL 4 Cb -0.10 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 1rdu s VAL 4 CO 0.15 0.05 -0.26 0.00 -3.33 0.00 0.00 175.10 171.71 1rdu s ALA 5 N -1.30 2.17 -0.07 1.54 0.00 -1.17 -1.83 121.76 121.10 1rdu s ALA 5 Ca 0.20 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1rdu s ALA 5 Cb -0.10 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1rdu s ALA 5 CO 0.12 0.51 -0.02 0.42 0.00 0.00 0.00 175.76 176.80 1rdu s ILE 6 N -0.77 0.48 -0.34 0.00 1.09 0.44 -0.83 121.20 121.27 1rdu s ILE 6 Ca 0.11 0.03 -0.29 0.00 -1.10 0.00 0.00 60.65 59.40 1rdu s ILE 6 Cb -0.10 -0.60 -0.01 0.00 -1.06 0.00 0.00 42.46 40.69 1rdu s ILE 6 CO 0.02 0.27 1.69 -2.16 -0.10 0.00 0.00 174.94 174.65 1rdu s PRO 7 N 1.75 3.43 0.40 2.79 0.04 -1.26 -1.22 135.00 140.94 1rdu s PRO 7 Ca 0.02 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.47 1rdu s PRO 7 Cb -0.13 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1rdu s PRO 7 CO -0.05 -1.74 0.24 0.45 0.04 0.00 0.00 177.00 175.94 1rdu s SER 8 N 5.42 4.67 -0.24 6.66 0.15 0.19 -0.31 113.70 130.24 1rdu s SER 8 Ca 0.75 -0.92 0.14 0.00 0.70 0.00 0.00 55.95 56.62 1rdu s SER 8 Cb -0.21 -0.55 0.46 0.00 -1.71 0.00 0.00 66.02 64.02 1rdu s SER 8 CO 0.33 -0.54 1.17 1.33 1.20 0.00 0.00 173.24 176.73 1rdu n VAL 9 N -1.32 1.85 -3.85 4.45 0.24 0.03 -1.91 118.33 117.81 1rdu n VAL 9 Ca 0.00 -3.35 -0.03 0.00 -2.04 0.00 0.00 64.34 58.92 1rdu n VAL 9 Cb 0.63 -0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.95 1rdu n VAL 9 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rdu s GLY 10 N -3.43 0.05 -0.37 7.63 0.00 -1.26 -4.78 107.32 105.17 1rdu s GLY 10 Ca 0.40 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1rdu s GLY 10 CO -0.02 1.78 1.39 0.58 0.00 0.00 0.00 173.10 176.83 1rdu n LYS 11 N -0.64 3.17 -4.10 2.90 2.85 -1.26 -4.78 118.16 116.30 1rdu n LYS 11 Ca -0.04 -3.86 -0.08 0.00 -1.05 0.00 0.00 58.31 53.28 1rdu n LYS 11 Cb 0.60 -2.21 -0.10 0.00 -0.65 0.00 0.00 35.03 32.67 1rdu n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rdu s ASP 12 N -3.12 0.58 0.00 -5.58 1.01 -1.26 -5.00 116.67 103.30 1rdu s ASP 12 Ca 0.53 -0.96 0.21 0.00 0.71 0.00 0.00 52.55 53.04 1rdu s ASP 12 Cb 0.43 0.18 1.10 0.00 1.01 0.00 0.00 42.92 45.64 1rdu s ASP 12 CO 0.02 -0.56 1.68 -0.11 0.21 0.00 0.00 175.17 176.42 1rdu n LEU 13 N 0.19 0.00 -1.85 1.23 -0.00 -1.26 -1.34 117.00 113.98 1rdu n LEU 13 Ca -0.14 0.25 -0.15 0.00 -0.00 0.00 0.00 56.01 55.97 1rdu n LEU 13 Cb 0.61 -0.25 0.06 0.00 -0.00 0.00 0.00 43.42 43.83 1rdu n LEU 13 CO 0.28 -0.08 0.19 -1.54 -0.00 0.00 0.00 177.39 176.24 1rdu n SER 14 N -1.25 3.88 -4.65 1.96 3.41 -1.26 -1.82 113.62 113.88 1rdu n SER 14 Ca 0.11 -3.53 -0.27 0.00 -0.26 0.00 0.00 58.87 54.91 1rdu n SER 14 Cb 0.16 -0.39 0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rdu s SER 15 N -3.52 4.18 0.30 4.04 0.01 -0.45 -4.79 113.70 113.48 1rdu s SER 15 Ca 0.46 0.38 -0.27 0.00 1.31 0.00 0.00 55.95 57.83 1rdu s SER 15 Cb 0.39 -0.78 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 1rdu s SER 15 CO 0.01 -2.04 0.97 -0.04 0.41 0.00 0.00 173.24 172.54 1rdu s MET 16 N -5.51 4.62 0.86 12.44 -1.94 -1.26 -0.24 119.30 128.27 1rdu s MET 16 Ca 0.65 1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 55.96 1rdu s MET 16 Cb -0.08 -2.95 0.11 0.00 2.01 0.00 0.00 34.83 33.92 1rdu s MET 16 CO 0.48 0.29 1.09 0.08 -0.01 0.00 0.00 175.02 176.96 1rdu s VAL 17 N -1.45 2.77 -0.12 -6.03 1.01 -0.64 -0.79 120.40 115.15 1rdu s VAL 17 Ca 0.48 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1rdu s VAL 17 Cb -0.22 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1rdu s VAL 17 CO 0.28 -0.33 -0.23 -0.55 0.00 0.00 0.00 175.10 174.27 1rdu s SER 18 N -3.59 3.10 -0.01 3.32 0.15 0.57 -4.64 113.70 112.60 1rdu s SER 18 Ca 0.63 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 1rdu s SER 18 Cb -0.17 -1.43 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1rdu s SER 18 CO 0.56 0.13 1.71 0.47 1.20 0.00 0.00 173.24 177.31 1rdu n ASP 19 N 3.75 4.69 -3.15 5.45 9.92 -1.26 -4.46 116.55 131.50 1rdu n ASP 19 Ca -0.19 -2.31 0.05 0.00 -0.53 0.00 0.00 54.79 51.81 1rdu n ASP 19 Cb 0.52 -0.95 -0.01 0.00 -0.64 0.00 0.00 41.12 40.04 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 -0.04 0.32 0.03 -1.24 1.70 -1.26 -4.16 118.95 114.30 1rdu s ARG 20 Ca 0.01 0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 55.50 1rdu s ARG 20 Cb 0.01 0.29 -0.17 0.00 -0.57 0.00 0.00 34.95 34.51 1rdu s ARG 20 CO 0.00 -0.37 1.33 0.35 -1.08 0.00 0.00 175.30 175.53 1rdu h PHE 21 N 7.95 -0.85 0.00 5.89 3.57 -1.10 -3.26 116.94 129.15 1rdu h PHE 21 Ca -0.16 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1rdu h PHE 21 Cb 1.17 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1rdu h PHE 21 CO 0.08 -0.50 0.00 0.00 -2.23 0.00 0.00 178.31 175.66 1rdu n ALA 22 N -2.61 1.40 -3.69 2.41 0.00 -1.26 -2.77 120.51 113.99 1rdu n ALA 22 Ca -0.13 0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1rdu n ALA 22 Cb 0.38 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.08 1.70 -3.73 0.00 5.12 -1.23 -4.90 116.66 111.55 1rdu n ARG 23 Ca 0.01 -4.29 -0.24 0.00 -1.93 0.00 0.00 57.85 51.40 1rdu n ARG 23 Cb 0.14 -2.14 -0.17 0.00 -1.16 0.00 0.00 32.46 29.12 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rdu s ALA 24 N -1.47 0.66 0.10 7.54 0.00 -1.11 -4.55 121.76 122.93 1rdu s ALA 24 Ca 0.30 -0.24 0.25 0.00 0.00 0.00 0.00 51.96 52.28 1rdu s ALA 24 Cb 0.02 -0.87 1.39 0.00 0.00 0.00 0.00 23.12 23.66 1rdu s ALA 24 CO -0.14 -0.73 1.76 0.93 0.00 0.00 0.00 175.76 177.59 1rdu h GLU 25 N 8.34 0.00 -3.97 0.00 5.08 -1.67 -3.43 114.58 118.93 1rdu h GLU 25 Ca -0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1rdu h GLU 25 Cb 1.13 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 1rdu h GLU 25 CO 0.27 0.00 -0.55 0.71 -1.00 0.00 0.00 179.01 178.43 1rdu s TYR 26 N -3.68 0.31 -0.22 4.33 1.51 -0.80 -0.71 117.35 118.08 1rdu s TYR 26 Ca -0.03 -0.73 -0.03 0.00 -1.01 0.00 0.00 57.07 55.27 1rdu s TYR 26 Cb 0.07 -0.22 0.07 0.00 -0.11 0.00 0.00 41.96 41.78 1rdu s TYR 26 CO 0.23 -0.41 0.06 -0.06 -1.11 0.00 0.00 175.55 174.27 1rdu s PHE 27 N -3.34 0.99 -0.07 2.71 0.08 0.39 -0.64 117.98 118.09 1rdu s PHE 27 Ca 0.01 -0.94 -0.30 0.00 0.12 0.00 0.00 56.93 55.82 1rdu s PHE 27 Cb 0.03 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1rdu s PHE 27 CO -0.08 -0.66 1.00 0.42 -0.10 0.00 0.00 175.22 175.80 1rdu s ILE 28 N 1.87 4.79 -0.33 0.64 -1.09 -0.35 -0.83 121.20 125.90 1rdu s ILE 28 Ca 0.02 2.04 0.04 0.00 -2.23 0.00 0.00 60.65 60.52 1rdu s ILE 28 Cb -0.17 -4.31 0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1rdu s ILE 28 CO -0.13 0.05 0.03 -0.63 -1.23 0.00 0.00 174.94 173.03 1rdu s ILE 29 N 1.72 2.28 -0.04 2.92 1.01 -0.22 -0.42 121.20 128.45 1rdu s ILE 29 Ca 0.50 -2.25 -0.20 0.00 0.00 0.00 0.00 60.65 58.70 1rdu s ILE 29 Cb -0.19 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1rdu s ILE 29 CO 0.21 -0.53 0.56 -0.47 0.00 0.00 0.00 174.94 174.71 1rdu s TYR 30 N 0.93 3.63 -0.21 3.97 5.04 -0.76 -1.44 117.35 128.51 1rdu s TYR 30 Ca 0.08 1.10 -0.25 0.00 -2.44 0.00 0.00 57.07 55.57 1rdu s TYR 30 Cb -0.19 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 1rdu s TYR 30 CO -0.08 0.30 0.83 -0.51 -1.34 0.00 0.00 175.55 174.76 1rdu s ASP 31 N 0.04 6.89 -0.61 4.32 1.01 -0.29 -1.14 116.67 126.89 1rdu s ASP 31 Ca 0.30 1.10 -0.06 0.00 0.71 0.00 0.00 52.55 54.60 1rdu s ASP 31 Cb -0.17 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 1rdu s ASP 31 CO 0.15 -0.47 3.07 0.35 0.21 0.00 0.00 175.17 178.49 1rdu n THR 32 N 5.02 3.66 0.00 -1.27 -2.24 0.14 -3.81 114.28 115.78 1rdu n THR 32 Ca 0.05 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.27 1rdu n THR 32 Cb 0.48 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1rdu n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rdu n GLU 33 N 2.06 0.00 -1.37 -0.78 1.02 -1.26 -4.21 120.64 116.10 1rdu n GLU 33 Ca 0.54 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.40 1rdu n GLU 33 Cb 0.59 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.11 1rdu n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rdu n SER 34 N -0.72 5.89 0.00 1.62 3.41 -1.26 -4.87 113.62 117.70 1rdu n SER 34 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1rdu n SER 34 Cb 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rdu n GLY 35 N -0.95 0.00 3.82 5.00 0.00 -1.25 -4.94 105.19 106.87 1rdu n GLY 35 Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 1rdu n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rdu s ASN 36 N -1.28 5.59 0.10 1.61 0.01 -1.26 -4.84 114.94 114.87 1rdu s ASN 36 Ca 0.00 1.66 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1rdu s ASN 36 Cb 0.00 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1rdu s ASN 36 CO 0.00 -1.30 0.05 -0.69 -1.51 0.00 0.00 177.10 173.64 1rdu s VAL 37 N -2.87 0.15 -0.02 1.60 1.01 -1.26 -1.14 120.40 117.87 1rdu s VAL 37 Ca 0.59 -1.80 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1rdu s VAL 37 Cb -0.14 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1rdu s VAL 37 CO 0.49 -0.67 -0.10 -0.70 0.00 0.00 0.00 175.10 174.12 1rdu s GLU 38 N -3.98 0.94 -0.43 2.72 2.56 -0.52 -4.96 118.70 115.02 1rdu s GLU 38 Ca 0.16 -0.36 -0.20 0.00 0.00 0.00 0.00 54.97 54.57 1rdu s GLU 38 Cb 0.07 -0.89 0.02 0.00 2.00 0.00 0.00 34.13 35.33 1rdu s GLU 38 CO -0.04 0.19 0.60 0.08 -0.56 0.00 0.00 175.26 175.54 1rdu s VAL 39 N -0.07 4.88 0.15 3.70 1.01 -1.26 -1.05 120.40 127.75 1rdu s VAL 39 Ca 0.01 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1rdu s VAL 39 Cb -0.06 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1rdu s VAL 39 CO 0.00 -0.56 0.99 -0.69 0.00 0.00 0.00 175.10 174.83 1rdu s VAL 40 N 2.69 4.30 -0.20 2.92 1.01 -0.01 -4.95 120.40 126.15 1rdu s VAL 40 Ca 0.21 1.98 -0.09 0.00 0.00 0.00 0.00 61.98 64.08 1rdu s VAL 40 Cb -0.15 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1rdu s VAL 40 CO 0.18 0.34 0.11 -0.70 0.00 0.00 0.00 175.10 175.03 1rdu s GLU 41 N -0.28 4.09 -0.02 2.72 2.12 -1.26 -0.46 118.70 125.61 1rdu s GLU 41 Ca 0.46 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.52 1rdu s GLU 41 Cb -0.25 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.78 1rdu s GLU 41 CO 0.31 0.23 0.03 1.21 -0.54 0.00 0.00 175.26 176.50 1rdu s ASN 42 N 0.54 0.05 -0.70 -1.70 2.47 0.11 -4.95 114.94 110.76 1rdu s ASN 42 Ca 0.06 0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.40 1rdu s ASN 42 Cb -0.12 -0.04 0.36 0.00 -1.45 0.00 0.00 41.25 40.00 1rdu s ASN 42 CO 0.00 -0.10 1.47 0.35 -3.72 0.00 0.00 177.10 175.10 1rdu n THR 43 N 3.91 3.63 -2.58 -5.21 -2.24 -1.26 -4.29 114.28 106.23 1rdu n THR 43 Ca -0.24 -5.13 -0.41 0.00 -2.27 0.00 0.00 64.05 56.00 1rdu n THR 43 Cb 0.53 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 1rdu n THR 43 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1rdu s ILE 44 N -4.93 3.98 -0.39 2.28 -0.00 -1.26 -4.75 121.20 116.13 1rdu s ILE 44 Ca 0.47 -0.90 0.11 0.00 -0.00 0.00 0.00 60.65 60.34 1rdu s ILE 44 Cb 0.34 -5.06 0.35 0.00 -0.00 0.00 0.00 42.46 38.09 1rdu s ILE 44 CO -0.23 -1.93 0.74 0.00 -0.00 0.00 0.00 174.94 173.53 1rdu n ALA 45 N 8.73 2.24 -3.82 2.27 0.00 -1.26 -4.87 120.51 123.80 1rdu n ALA 45 Ca 0.34 -3.51 -0.06 0.00 0.00 0.00 0.00 53.44 50.21 1rdu n ALA 45 Cb 0.50 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1rdu n ALA 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rdu s ASP 46 N -2.49 -0.22 -0.24 0.00 1.47 -1.26 -5.06 116.67 108.87 1rdu s ASP 46 Ca 0.41 -0.54 0.19 0.00 1.18 0.00 0.00 52.55 53.78 1rdu s ASP 46 Cb 0.34 0.63 0.44 0.00 -0.34 0.00 0.00 42.92 43.99 1rdu s ASP 46 CO -0.09 -1.17 1.24 0.00 0.68 0.00 0.00 175.17 175.83 1rdu n ALA 47 N -0.47 2.73 -1.32 2.11 0.00 -1.26 -5.12 120.51 117.18 1rdu n ALA 47 Ca -0.05 -2.06 -0.30 0.00 0.00 0.00 0.00 53.44 51.03 1rdu n ALA 47 Cb 0.60 -0.81 0.23 0.00 0.00 0.00 0.00 19.45 19.47 1rdu n ALA 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rdu s HIS 48 N -2.00 0.61 0.00 0.00 3.76 -1.26 -5.09 115.29 111.31 1rdu s HIS 48 Ca 0.21 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 1rdu s HIS 48 Cb 0.35 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1rdu s HIS 48 CO -0.08 -3.65 0.00 0.41 -0.85 0.00 0.00 174.74 170.57 1rdu n GLY 49 N -1.75 0.80 6.06 -2.22 0.00 -1.26 -5.02 105.19 101.79 1rdu n GLY 49 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1rdu n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rdu n THR 50 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.91 114.28 109.68 1rdu n THR 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rdu n THR 50 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1rdu n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rdu n GLY 51 N -0.43 0.42 0.18 3.41 0.00 -1.26 -4.99 105.19 102.52 1rdu n GLY 51 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rdu n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rdu h PRO 52 N 0.00 0.58 0.00 1.61 0.13 -1.97 -3.47 132.00 128.88 1rdu h PRO 52 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rdu h PRO 52 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1rdu h PRO 52 CO 0.00 0.97 0.00 1.17 -0.23 0.00 0.00 178.00 179.91 1rdu n LYS 53 N -4.30 0.00 0.21 0.86 4.81 -1.26 -4.09 118.16 114.38 1rdu n LYS 53 Ca -0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.23 1rdu n LYS 53 Cb 0.50 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.47 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1rdu h VAL 54 N 0.00 0.27 -0.11 3.15 3.04 -1.98 -1.41 116.25 119.21 1rdu h VAL 54 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 1rdu h VAL 54 Cb 0.00 0.27 -0.04 0.00 -2.01 0.00 0.00 31.29 29.52 1rdu h VAL 54 CO 0.00 0.00 -0.11 0.58 -1.01 0.00 0.00 177.57 177.03 1rdu h VAL 55 N -0.71 0.69 0.00 1.51 2.07 -1.96 -0.29 116.25 117.57 1rdu h VAL 55 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1rdu h VAL 55 Cb 0.65 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1rdu h VAL 55 CO -0.08 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.66 1rdu n GLN 56 N -5.25 0.07 -0.09 1.57 1.13 -0.72 -0.28 117.38 113.80 1rdu n GLN 56 Ca -0.04 0.51 -0.18 0.00 -1.94 0.00 0.00 57.00 55.36 1rdu n GLN 56 Cb 0.17 -1.87 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 1rdu n GLN 56 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1rdu n SER 57 N -1.83 1.42 -0.18 1.08 2.88 -0.61 -3.72 113.62 112.66 1rdu n SER 57 Ca -0.01 0.17 -0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1rdu n SER 57 Cb 0.17 -0.48 0.05 0.00 -0.75 0.00 0.00 64.21 63.20 1rdu n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1rdu h LEU 58 N -0.54 0.46 -0.59 2.46 3.38 -0.60 -1.03 115.31 118.84 1rdu h LEU 58 Ca -0.43 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1rdu h LEU 58 Cb 1.41 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1rdu h LEU 58 CO -0.24 0.32 0.09 0.58 0.09 0.00 0.00 178.44 179.28 1rdu h VAL 59 N 0.58 1.26 0.00 1.22 2.07 -0.88 0.14 116.25 120.64 1rdu h VAL 59 Ca 0.22 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1rdu h VAL 59 Cb 0.07 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1rdu h VAL 59 CO -0.12 0.37 0.00 -1.20 0.02 0.00 0.00 177.57 176.64 1rdu n SER 60 N -4.30 0.00 -2.05 0.57 7.64 -0.77 -1.08 113.62 113.64 1rdu n SER 60 Ca 0.03 -0.47 -0.16 0.00 1.01 0.00 0.00 58.87 59.28 1rdu n SER 60 Cb 0.28 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1rdu n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rdu n LYS 61 N -0.83 2.96 -1.40 1.43 5.02 0.01 -5.01 118.16 120.34 1rdu n LYS 61 Ca 0.06 -3.90 -0.14 0.00 -2.02 0.00 0.00 58.31 52.30 1rdu n LYS 61 Cb 0.03 -2.02 -0.06 0.00 -0.02 0.00 0.00 35.03 32.95 1rdu n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rdu n GLY 62 N -0.69 1.35 3.67 0.72 0.00 -0.24 -4.91 105.19 105.10 1rdu n GLY 62 Ca 0.33 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.89 1rdu n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rdu n VAL 63 N -2.20 0.62 -2.05 1.61 0.31 -1.04 -4.07 118.33 111.51 1rdu n VAL 63 Ca -0.14 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 63.98 1rdu n VAL 63 Cb 0.60 -2.03 0.08 0.00 -0.91 0.00 0.00 33.84 31.58 1rdu n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rdu n GLU 64 N 6.82 2.44 0.00 5.55 -0.58 -0.73 -4.77 120.64 129.37 1rdu n GLU 64 Ca 0.21 -3.63 0.00 0.00 -0.42 0.00 0.00 57.16 53.32 1rdu n GLU 64 Cb 0.34 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1rdu n GLU 64 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1rdu n TYR 65 N -0.71 0.00 -3.62 -0.32 4.01 -1.20 -3.85 117.16 111.47 1rdu n TYR 65 Ca 0.28 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.95 1rdu n TYR 65 Cb 0.88 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.85 1rdu n TYR 65 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1rdu s LEU 66 N 0.00 -0.26 -0.36 7.72 2.96 -0.23 -3.03 118.68 125.48 1rdu s LEU 66 Ca 0.00 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1rdu s LEU 66 Cb 0.00 1.57 0.09 0.00 0.50 0.00 0.00 46.19 48.35 1rdu s LEU 66 CO 0.00 -0.18 0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 1rdu s ILE 67 N -0.63 3.00 -0.29 6.68 1.01 -0.01 -0.04 121.20 130.94 1rdu s ILE 67 Ca 0.03 -1.89 0.03 0.00 0.00 0.00 0.00 60.65 58.82 1rdu s ILE 67 Cb -0.02 -2.98 0.18 0.00 0.01 0.00 0.00 42.46 39.65 1rdu s ILE 67 CO -0.05 -0.48 0.50 0.00 0.00 0.00 0.00 174.94 174.91 1rdu s ALA 68 N 1.13 -1.79 -1.49 9.38 0.00 0.61 -4.05 121.76 125.55 1rdu s ALA 68 Ca 0.04 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1rdu s ALA 68 Cb -0.21 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1rdu s ALA 68 CO -0.04 -1.68 0.74 0.45 0.00 0.00 0.00 175.76 175.23 1rdu n SER 69 N 5.39 0.00 -3.27 0.00 2.88 -1.25 -4.28 113.62 113.09 1rdu n SER 69 Ca 0.02 0.24 -0.02 0.00 -1.33 0.00 0.00 58.87 57.78 1rdu n SER 69 Cb 0.51 -0.24 0.02 0.00 -0.75 0.00 0.00 64.21 63.75 1rdu n SER 69 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rdu n ASN 70 N -1.24 -1.59 -4.02 -3.46 2.85 -1.26 -4.85 115.26 101.70 1rdu n ASN 70 Ca 0.00 -1.78 -0.14 0.00 -0.11 0.00 0.00 54.58 52.55 1rdu n ASN 70 Cb 0.00 2.57 -0.12 0.00 1.24 0.00 0.00 39.78 43.47 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 -2.07 0.47 -0.35 3.44 0.11 -1.26 -0.64 120.40 120.09 1rdu s VAL 71 Ca 0.23 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1rdu s VAL 71 Cb -0.02 -0.49 0.46 0.00 -1.53 0.00 0.00 36.38 34.79 1rdu s VAL 71 CO 0.04 -0.21 1.33 0.61 -3.33 0.00 0.00 175.10 173.54 1rdu n GLY 72 N 2.02 6.32 3.78 6.54 0.00 -1.26 -4.78 105.19 117.80 1rdu n GLY 72 Ca -0.19 -2.61 -0.01 0.00 0.00 0.00 0.00 46.02 43.21 1rdu n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rdu s ARG 73 N -3.64 0.83 0.00 1.61 1.81 -1.26 -4.72 118.95 113.59 1rdu s ARG 73 Ca 0.53 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 1rdu s ARG 73 Cb 0.43 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 35.19 1rdu s ARG 73 CO 0.03 -0.39 0.56 0.09 -0.68 0.00 0.00 175.30 174.91 1rdu n ASN 74 N -0.75 1.66 0.13 0.23 3.02 -1.26 -4.10 115.26 114.19 1rdu n ASN 74 Ca -0.05 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1rdu n ASN 74 Cb 0.61 -0.29 0.11 0.00 -0.61 0.00 0.00 39.78 39.60 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rdu h ALA 75 N 1.97 0.75 -0.56 5.41 0.00 -1.97 -3.26 119.26 121.60 1rdu h ALA 75 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1rdu h ALA 75 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1rdu h ALA 75 CO 0.00 0.77 0.28 0.35 0.00 0.00 0.00 179.25 180.65 1rdu h PHE 76 N 0.00 0.76 0.00 0.00 3.57 -1.97 -0.76 116.94 118.55 1rdu h PHE 76 Ca -0.01 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1rdu h PHE 76 Cb 1.28 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1rdu h PHE 76 CO 0.00 0.56 -0.43 0.93 -2.23 0.00 0.00 178.31 177.13 1rdu h GLU 77 N 0.78 0.00 0.00 1.11 5.08 -1.90 -1.80 114.58 117.85 1rdu h GLU 77 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1rdu h GLU 77 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1rdu h GLU 77 CO -0.03 0.43 -0.07 1.15 -1.00 0.00 0.00 179.01 179.49 1rdu h THR 78 N 0.00 0.13 0.20 1.13 2.02 -1.28 -2.79 112.91 112.32 1rdu h THR 78 Ca -0.00 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1rdu h THR 78 Cb 0.83 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1rdu h THR 78 CO 0.06 0.07 -0.10 -0.07 0.37 0.00 0.00 175.52 175.85 1rdu h LEU 79 N 0.00 -0.23 -1.78 2.58 3.38 -0.32 -2.99 115.31 115.95 1rdu h LEU 79 Ca -0.00 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1rdu h LEU 79 Cb 0.96 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1rdu h LEU 79 CO 0.01 0.29 0.36 0.07 0.09 0.00 0.00 178.44 179.25 1rdu h LYS 80 N -0.86 0.24 0.00 1.13 2.10 -1.60 -0.07 116.57 117.51 1rdu h LYS 80 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1rdu h LYS 80 Cb 0.51 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1rdu h LYS 80 CO 0.05 0.16 0.00 0.00 -2.00 0.00 0.00 179.45 177.66 1rdu n ALA 81 N -2.56 1.85 -2.23 0.07 0.00 -1.05 -1.07 120.51 115.52 1rdu n ALA 81 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1rdu n ALA 81 Cb 0.41 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.72 1rdu n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rdu n ALA 82 N -1.13 3.84 -2.68 0.00 0.00 -0.12 -5.01 120.51 115.41 1rdu n ALA 82 Ca 0.08 -3.27 -0.12 0.00 0.00 0.00 0.00 53.44 50.12 1rdu n ALA 82 Cb 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.62 -0.50 3.60 0.00 0.00 -0.24 -4.89 105.19 102.55 1rdu n GLY 83 Ca 0.26 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.55 4.67 -0.52 1.61 1.01 -0.74 -4.64 120.40 119.24 1rdu s VAL 84 Ca 0.10 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 1rdu s VAL 84 Cb -0.05 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1rdu s VAL 84 CO 0.12 -0.44 1.24 -0.54 0.00 0.00 0.00 175.10 175.48 1rdu s LYS 85 N 3.26 3.56 -0.35 2.72 1.02 -1.25 -4.17 119.74 124.52 1rdu s LYS 85 Ca 0.35 0.48 -0.20 0.00 0.02 0.00 0.00 55.97 56.62 1rdu s LYS 85 Cb -0.13 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 1rdu s LYS 85 CO 0.17 -1.61 0.59 0.08 -0.92 0.00 0.00 175.35 173.66 1rdu s VAL 86 N 5.04 4.93 0.59 3.17 1.01 -1.26 -1.06 120.40 132.82 1rdu s VAL 86 Ca 0.49 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1rdu s VAL 86 Cb -0.09 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1rdu s VAL 86 CO 0.29 -0.28 0.92 -0.31 0.00 0.00 0.00 175.10 175.71 1rdu s TYR 87 N 2.60 3.37 0.37 5.22 1.51 0.95 -0.45 117.35 130.91 1rdu s TYR 87 Ca 0.22 0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 57.04 1rdu s TYR 87 Cb -0.15 -2.69 -0.05 0.00 -0.11 0.00 0.00 41.96 38.96 1rdu s TYR 87 CO 0.14 -0.75 0.64 0.50 -1.11 0.00 0.00 175.55 174.98 1rdu s ARG 88 N -5.01 3.60 0.41 -0.62 3.52 0.68 -0.28 118.95 121.24 1rdu s ARG 88 Ca 0.53 0.05 0.06 0.00 -0.13 0.00 0.00 55.73 56.24 1rdu s ARG 88 Cb -0.11 -2.55 -0.07 0.00 -1.56 0.00 0.00 34.95 30.67 1rdu s ARG 88 CO 0.47 0.06 0.02 0.12 -0.81 0.00 0.00 175.30 175.16 1rdu s PHE 89 N -2.34 2.33 -0.33 5.12 2.19 -1.26 -4.02 117.98 119.67 1rdu s PHE 89 Ca 0.45 -0.77 0.05 0.00 0.33 0.00 0.00 56.93 57.00 1rdu s PHE 89 Cb -0.10 -1.67 0.18 0.00 -1.31 0.00 0.00 43.02 40.12 1rdu s PHE 89 CO 0.35 0.34 0.54 -2.00 1.83 0.00 0.00 175.22 176.28 1rdu s GLU 90 N -3.76 0.60 0.13 10.12 2.12 -1.26 -4.51 118.70 122.14 1rdu s GLU 90 Ca 0.31 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1rdu s GLU 90 Cb 0.08 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1rdu s GLU 90 CO 0.15 -1.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1rdu n GLY 91 N 5.03 -3.42 0.00 -1.50 0.00 -1.26 -5.12 105.19 98.92 1rdu n GLY 91 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.92 3.77 3.93 -0.02 0.00 -1.26 -4.80 105.19 105.89 1rdu n GLY 92 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 2.39 0.29 2.61 -4.23 -1.26 -1.63 115.64 111.81 1rdu s THR 93 Ca 0.00 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1rdu s THR 93 Cb 0.00 -3.03 0.38 0.00 1.34 0.00 0.00 72.50 71.19 1rdu s THR 93 CO 0.00 -0.03 1.59 0.58 -0.54 0.00 0.00 174.62 176.22 1rdu h VAL 94 N -0.53 0.12 -0.26 2.29 2.07 -0.72 0.07 116.25 119.28 1rdu h VAL 94 Ca -0.44 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1rdu h VAL 94 Cb 1.31 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1rdu h VAL 94 CO 0.60 0.01 0.13 -0.61 0.02 0.00 0.00 177.57 177.72 1rdu h GLN 95 N 0.04 0.34 -0.26 1.57 4.15 -1.65 -2.99 115.11 116.31 1rdu h GLN 95 Ca 0.53 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.89 1rdu h GLN 95 Cb 1.00 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1rdu h GLN 95 CO -0.86 0.26 0.07 0.93 -1.93 0.00 0.00 178.83 177.31 1rdu h GLU 96 N 0.35 0.41 -1.08 1.69 4.39 -1.30 0.15 114.58 119.19 1rdu h GLU 96 Ca 0.09 -0.09 0.29 0.00 0.34 0.00 0.00 59.36 59.99 1rdu h GLU 96 Cb 0.03 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.52 1rdu h GLU 96 CO -0.01 0.50 0.70 0.00 -1.16 0.00 0.00 179.01 179.03 1rdu h ALA 97 N 0.90 2.31 0.00 3.43 0.00 -1.52 0.30 119.26 124.68 1rdu h ALA 97 Ca 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1rdu h ALA 97 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rdu h ALA 97 CO -0.00 -0.76 -0.59 0.82 0.00 0.00 0.00 179.25 178.72 1rdu h ILE 98 N 0.34 0.59 -0.88 0.00 1.08 -1.40 -2.61 117.51 114.64 1rdu h ILE 98 Ca 0.63 -1.61 0.09 0.00 -0.39 0.00 0.00 64.86 63.58 1rdu h ILE 98 Cb 1.68 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 36.65 1rdu h ILE 98 CO -0.32 0.20 0.57 0.44 -0.69 0.00 0.00 178.15 178.35 1rdu h ASP 99 N -1.00 0.80 0.25 1.72 5.19 -0.49 0.34 116.42 123.24 1rdu h ASP 99 Ca -0.12 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1rdu h ASP 99 Cb 0.76 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1rdu h ASP 99 CO -0.07 0.48 -0.12 0.00 -3.12 0.00 0.00 179.24 176.41 1rdu h ALA 100 N 1.55 -0.34 -0.62 3.45 0.00 -0.54 -1.47 119.26 121.30 1rdu h ALA 100 Ca 0.40 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1rdu h ALA 100 Cb 0.37 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1rdu h ALA 100 CO -0.17 -0.44 0.38 0.35 0.00 0.00 0.00 179.25 179.37 1rdu h PHE 101 N -0.83 0.71 -0.30 0.00 3.57 -1.00 0.31 116.94 119.39 1rdu h PHE 101 Ca -0.03 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 101 Cb 0.51 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1rdu h PHE 101 CO 0.05 0.40 -0.27 0.66 -2.23 0.00 0.00 178.31 176.92 1rdu h SER 102 N 0.74 0.76 -0.60 0.41 4.64 -0.39 -2.27 113.55 116.84 1rdu h SER 102 Ca 0.25 -0.46 -0.39 0.00 -0.47 0.00 0.00 61.79 60.72 1rdu h SER 102 Cb 0.03 -0.21 -0.18 0.00 -0.31 0.00 0.00 62.40 61.73 1rdu h SER 102 CO -0.11 1.06 0.50 -0.62 -0.87 0.00 0.00 176.83 176.80 1rdu n GLU 103 N -4.27 1.96 -0.35 4.77 -0.58 -0.55 -4.89 120.64 116.74 1rdu n GLU 103 Ca -0.03 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1rdu n GLU 103 Cb 0.46 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 -0.08 0.00 1.52 0.62 0.00 -0.81 -4.84 105.19 101.60 1rdu n GLY 104 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.48 1.21 -2.32 1.61 1.74 0.10 -4.74 116.66 112.77 1rdu n ARG 105 Ca 0.00 -0.43 -0.04 0.00 -0.77 0.00 0.00 57.85 56.62 1rdu n ARG 105 Cb 0.00 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.99 0.00 -3.93 0.55 4.77 -1.25 -4.74 117.00 113.39 1rdu n LEU 106 Ca 0.08 -0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 55.55 1rdu n LEU 106 Cb 0.55 0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.63 1rdu n LEU 106 CO 0.10 -0.06 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.13 1rdu s GLU 107 N -2.21 0.18 -0.52 3.23 0.41 -1.26 -5.01 118.70 113.52 1rdu s GLU 107 Ca 0.02 -0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 1rdu s GLU 107 Cb 0.00 0.03 0.03 0.00 -1.78 0.00 0.00 34.13 32.41 1rdu s GLU 107 CO 0.01 -0.02 1.18 -2.00 -0.49 0.00 0.00 175.26 173.94 1rdu s GLU 108 N -0.76 3.63 -0.30 1.61 2.12 -1.26 -0.23 118.70 123.51 1rdu s GLU 108 Ca -0.08 0.46 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 1rdu s GLU 108 Cb -0.05 -3.96 0.09 0.00 0.26 0.00 0.00 34.13 30.47 1rdu s GLU 108 CO -0.00 -1.52 2.43 -0.11 -0.54 0.00 0.00 175.26 175.52 1rdu n LEU 109 N 8.16 6.23 -1.79 2.70 7.94 0.41 -4.78 117.00 135.86 1rdu n LEU 109 Ca 0.11 -3.44 -0.15 0.00 -1.11 0.00 0.00 56.01 51.42 1rdu n LEU 109 Cb 0.49 -1.16 0.05 0.00 0.53 0.00 0.00 43.42 43.33 1rdu n LEU 109 CO 0.72 1.42 1.10 0.35 -1.11 0.00 0.00 177.39 179.87 1rdu n THR 110 N 0.86 2.53 -2.43 1.96 -2.24 -1.25 -3.75 114.28 109.96 1rdu n THR 110 Ca 0.34 -1.41 -0.01 0.00 -2.27 0.00 0.00 64.05 60.71 1rdu n THR 110 Cb 0.60 -1.14 0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 0.13 0.00 -3.82 4.28 5.66 -1.26 -5.11 114.28 114.16 1rdu n THR 111 Ca 0.30 -0.32 -0.20 0.00 -3.05 0.00 0.00 64.05 60.78 1rdu n THR 111 Cb 0.74 0.61 -0.17 0.00 -1.55 0.00 0.00 70.33 69.96 1rdu n THR 111 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1rdu s PHE 112 N 0.04 0.37 -0.24 1.09 0.40 -1.25 -4.98 117.98 113.41 1rdu s PHE 112 Ca 0.03 0.01 0.15 0.00 -0.60 0.00 0.00 56.93 56.51 1rdu s PHE 112 Cb 0.14 -0.56 0.38 0.00 0.51 0.00 0.00 43.02 43.50 1rdu s PHE 112 CO -0.04 -0.21 1.32 2.41 0.70 0.00 0.00 175.22 179.40 1rdu n THR 113 N 4.74 0.35 -3.72 0.64 -1.04 -1.26 -4.80 114.28 109.18 1rdu n THR 113 Ca -0.15 -1.38 -0.38 0.00 -2.04 0.00 0.00 64.05 60.11 1rdu n THR 113 Cb 0.50 1.01 -0.11 0.00 -1.82 0.00 0.00 70.33 69.91 1rdu n THR 113 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1rdu s ARG 114 N -0.97 2.32 -0.98 -2.82 6.06 -1.26 -5.01 118.95 116.28 1rdu s ARG 114 Ca 0.15 -1.60 -0.11 0.00 -2.50 0.00 0.00 55.73 51.66 1rdu s ARG 114 Cb 0.35 -3.62 0.25 0.00 0.06 0.00 0.00 34.95 31.99 1rdu s ARG 114 CO -0.09 -0.97 0.94 -2.00 -2.50 0.00 0.00 175.30 170.68 1rdu s GLU 115 N 1.27 3.90 0.00 5.12 2.12 -1.26 -5.01 118.70 124.85 1rdu s GLU 115 Ca 0.04 -2.87 0.00 0.00 0.36 0.00 0.00 54.97 52.50 1rdu s GLU 115 Cb -0.23 -4.48 0.00 0.00 0.26 0.00 0.00 34.13 29.68 1rdu s GLU 115 CO -0.01 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.85