#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdu n ALA 2 N 0.00 -0.54 -2.64 3.04 0.00 -1.26 -4.98 120.51 114.14 1rdu n ALA 2 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 1rdu n ALA 2 Cb 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 1rdu n ALA 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rdu s ARG 3 N -2.09 2.47 -0.08 0.00 0.52 -1.20 -0.49 118.95 118.07 1rdu s ARG 3 Ca 0.07 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1rdu s ARG 3 Cb -0.02 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.99 1rdu s ARG 3 CO 0.05 0.56 -0.10 0.54 0.02 0.00 0.00 175.30 176.37 1rdu s VAL 4 N -1.18 1.06 -0.04 3.52 0.11 -0.54 -2.10 120.40 121.22 1rdu s VAL 4 Ca 0.22 -0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1rdu s VAL 4 Cb -0.11 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1rdu s VAL 4 CO 0.14 0.35 0.20 0.00 -3.33 0.00 0.00 175.10 172.46 1rdu s ALA 5 N 1.11 3.89 -0.15 1.54 0.00 -0.83 -0.86 121.76 126.46 1rdu s ALA 5 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1rdu s ALA 5 Cb -0.14 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.02 1rdu s ALA 5 CO -0.02 0.66 -0.11 0.42 0.00 0.00 0.00 175.76 176.71 1rdu s ILE 6 N -1.20 1.44 -0.65 0.00 1.09 0.34 -1.16 121.20 121.07 1rdu s ILE 6 Ca 0.23 -0.63 -0.26 0.00 -1.10 0.00 0.00 60.65 58.88 1rdu s ILE 6 Cb -0.13 -1.42 -0.01 0.00 -1.06 0.00 0.00 42.46 39.84 1rdu s ILE 6 CO 0.12 0.36 1.77 -2.16 -0.10 0.00 0.00 174.94 174.93 1rdu s PRO 7 N 1.53 2.72 0.63 2.79 0.04 -1.26 -1.60 135.00 139.85 1rdu s PRO 7 Ca 0.04 0.42 0.02 0.00 0.04 0.00 0.00 61.00 61.52 1rdu s PRO 7 Cb -0.14 -4.39 0.09 0.00 0.04 0.00 0.00 34.50 30.11 1rdu s PRO 7 CO -0.10 -2.66 0.87 0.45 0.04 0.00 0.00 177.00 175.61 1rdu s SER 8 N 7.36 4.81 -0.27 6.66 0.15 0.47 -0.08 113.70 132.80 1rdu s SER 8 Ca 0.62 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 57.02 1rdu s SER 8 Cb -0.12 -0.21 0.47 0.00 -1.71 0.00 0.00 66.02 64.46 1rdu s SER 8 CO 0.19 -1.51 1.17 1.33 1.20 0.00 0.00 173.24 175.61 1rdu n VAL 9 N -2.54 2.08 -3.70 4.45 0.24 -0.60 -1.93 118.33 116.33 1rdu n VAL 9 Ca 0.13 -3.72 0.01 0.00 -2.04 0.00 0.00 64.34 58.72 1rdu n VAL 9 Cb 0.60 -0.31 -0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.62 -0.33 -0.49 7.63 0.00 -1.26 -4.81 107.32 104.43 1rdu s GLY 10 Ca 0.43 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.64 1rdu s GLY 10 CO 0.01 1.23 2.03 0.28 0.00 0.00 0.00 173.10 176.64 1rdu n LYS 11 N -0.58 2.23 -3.92 2.90 5.02 -1.26 -4.80 118.16 117.76 1rdu n LYS 11 Ca -0.06 -2.40 -0.10 0.00 -2.02 0.00 0.00 58.31 53.73 1rdu n LYS 11 Cb 0.62 -1.94 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.79 0.11 0.13 4.39 1.01 -1.26 -5.03 116.67 115.23 1rdu s ASP 12 Ca 0.47 -0.29 0.21 0.00 0.71 0.00 0.00 52.55 53.65 1rdu s ASP 12 Cb 0.37 0.14 0.84 0.00 1.01 0.00 0.00 42.92 45.29 1rdu s ASP 12 CO -0.01 -0.28 1.64 -0.11 0.21 0.00 0.00 175.17 176.62 1rdu n LEU 13 N 1.79 0.36 -1.94 1.23 -0.00 -1.26 -1.48 117.00 115.70 1rdu n LEU 13 Ca -0.22 0.58 -0.23 0.00 -0.00 0.00 0.00 56.01 56.14 1rdu n LEU 13 Cb 0.56 -0.52 0.05 0.00 -0.00 0.00 0.00 43.42 43.51 1rdu n LEU 13 CO 0.21 -0.36 0.45 -0.24 -0.00 0.00 0.00 177.39 177.44 1rdu n SER 14 N -1.89 5.08 -4.95 1.96 2.88 -1.26 -1.39 113.62 114.05 1rdu n SER 14 Ca 0.03 -3.77 -0.24 0.00 -1.33 0.00 0.00 58.87 53.57 1rdu n SER 14 Cb 0.23 -0.48 0.04 0.00 -0.75 0.00 0.00 64.21 63.25 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 -3.20 5.31 0.30 -3.46 0.01 -0.55 -4.85 113.70 107.26 1rdu s SER 15 Ca 0.52 0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.81 1rdu s SER 15 Cb 0.43 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.36 1rdu s SER 15 CO 0.02 -1.17 0.99 -0.04 0.41 0.00 0.00 173.24 173.46 1rdu s MET 16 N -4.90 4.61 0.41 12.44 -1.94 -1.26 -0.26 119.30 128.40 1rdu s MET 16 Ca 0.56 1.51 -0.18 0.00 -1.71 0.00 0.00 55.69 55.86 1rdu s MET 16 Cb -0.10 -2.98 -0.10 0.00 2.01 0.00 0.00 34.83 33.65 1rdu s MET 16 CO 0.41 0.27 0.89 0.08 -0.01 0.00 0.00 175.02 176.66 1rdu s VAL 17 N -1.40 4.50 -0.09 -6.03 1.01 -1.03 -1.56 120.40 115.81 1rdu s VAL 17 Ca 0.47 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1rdu s VAL 17 Cb -0.24 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1rdu s VAL 17 CO 0.31 -0.34 -0.04 -0.55 0.00 0.00 0.00 175.10 174.47 1rdu s SER 18 N -2.37 4.87 -0.11 3.32 0.15 0.89 -4.86 113.70 115.59 1rdu s SER 18 Ca 0.59 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 57.26 1rdu s SER 18 Cb -0.09 -1.37 0.09 0.00 -1.71 0.00 0.00 66.02 62.94 1rdu s SER 18 CO 0.17 0.34 1.78 0.47 1.20 0.00 0.00 173.24 177.20 1rdu n ASP 19 N 2.39 5.05 -2.77 5.45 8.00 -1.26 -4.38 116.55 129.03 1rdu n ASP 19 Ca -0.18 -2.55 -0.01 0.00 0.71 0.00 0.00 54.79 52.76 1rdu n ASP 19 Cb 0.53 -0.96 0.02 0.00 -0.02 0.00 0.00 41.12 40.69 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rdu s ARG 20 N -0.64 0.34 0.18 -1.24 1.70 -1.23 -3.87 118.95 114.20 1rdu s ARG 20 Ca 0.11 -0.24 -0.17 0.00 -0.47 0.00 0.00 55.73 54.96 1rdu s ARG 20 Cb 0.09 0.01 0.12 0.00 -0.57 0.00 0.00 34.95 34.60 1rdu s ARG 20 CO 0.00 -0.46 1.65 0.35 -1.08 0.00 0.00 175.30 175.76 1rdu h PHE 21 N 5.05 -0.36 0.00 5.89 3.57 -1.15 -0.83 116.94 129.12 1rdu h PHE 21 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1rdu h PHE 21 Cb 1.19 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1rdu h PHE 21 CO -0.05 -0.24 0.00 0.00 -2.23 0.00 0.00 178.31 175.79 1rdu n ALA 22 N -2.84 2.65 -2.46 2.41 0.00 -1.26 -3.36 120.51 115.64 1rdu n ALA 22 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1rdu n ALA 22 Cb 0.27 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.00 2.23 -5.02 0.00 5.12 -0.33 -4.76 116.66 112.89 1rdu n ARG 23 Ca 0.23 -3.60 -0.31 0.00 -1.93 0.00 0.00 57.85 52.24 1rdu n ARG 23 Cb 0.11 -1.71 -0.15 0.00 -1.16 0.00 0.00 32.46 29.55 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 -3.39 2.33 -0.19 7.54 0.00 -1.09 -4.87 121.76 122.08 1rdu s ALA 24 Ca 0.36 -1.16 0.22 0.00 0.00 0.00 0.00 51.96 51.38 1rdu s ALA 24 Cb 0.36 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 1rdu s ALA 24 CO -0.03 0.54 0.92 0.39 0.00 0.00 0.00 175.76 177.59 1rdu n GLU 25 N 2.06 0.62 -3.70 0.00 1.02 -0.81 -4.73 120.64 115.10 1rdu n GLU 25 Ca -0.16 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 1rdu n GLU 25 Cb 0.52 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 1rdu n GLU 25 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rdu s TYR 26 N -3.34 -0.36 -0.42 -0.32 1.51 -1.15 -0.96 117.35 112.30 1rdu s TYR 26 Ca -0.02 0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 56.77 1rdu s TYR 26 Cb 0.10 -0.01 0.05 0.00 -0.11 0.00 0.00 41.96 41.99 1rdu s TYR 26 CO 0.81 -0.29 0.29 -0.06 -1.11 0.00 0.00 175.55 175.20 1rdu s PHE 27 N 1.84 3.26 -0.36 2.71 0.08 -0.45 -0.39 117.98 124.67 1rdu s PHE 27 Ca -0.04 -0.95 -0.27 0.00 0.12 0.00 0.00 56.93 55.79 1rdu s PHE 27 Cb -0.11 -2.77 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1rdu s PHE 27 CO -0.08 -0.71 1.01 0.42 -0.10 0.00 0.00 175.22 175.76 1rdu s ILE 28 N 1.59 4.52 -0.36 0.64 -1.09 -0.63 -0.83 121.20 125.04 1rdu s ILE 28 Ca 0.03 1.45 -0.05 0.00 -2.23 0.00 0.00 60.65 59.85 1rdu s ILE 28 Cb -0.21 -4.39 0.06 0.00 -1.58 0.00 0.00 42.46 36.34 1rdu s ILE 28 CO 0.07 -0.55 0.14 -0.63 -1.23 0.00 0.00 174.94 172.74 1rdu s ILE 29 N 3.64 3.63 -0.32 2.92 1.01 -0.10 -0.51 121.20 131.47 1rdu s ILE 29 Ca 0.42 -1.42 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 1rdu s ILE 29 Cb -0.12 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 1rdu s ILE 29 CO 0.18 -0.34 0.73 -0.47 0.00 0.00 0.00 174.94 175.05 1rdu s TYR 30 N 1.33 3.19 -0.70 3.97 5.04 -0.04 -1.50 117.35 128.64 1rdu s TYR 30 Ca 0.01 0.67 -0.27 0.00 -2.44 0.00 0.00 57.07 55.04 1rdu s TYR 30 Cb -0.21 -3.18 0.03 0.00 0.35 0.00 0.00 41.96 38.95 1rdu s TYR 30 CO 0.01 -0.57 1.29 -0.51 -1.34 0.00 0.00 175.55 174.43 1rdu s ASP 31 N 1.67 6.17 -0.10 4.32 1.01 0.47 -1.46 116.67 128.76 1rdu s ASP 31 Ca 0.30 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.30 1rdu s ASP 31 Cb -0.14 -2.56 0.26 0.00 1.01 0.00 0.00 42.92 41.49 1rdu s ASP 31 CO 0.13 -1.79 1.01 0.35 0.21 0.00 0.00 175.17 175.08 1rdu n THR 32 N 6.48 1.12 0.00 -1.27 -2.24 0.36 -2.36 114.28 116.38 1rdu n THR 32 Ca 0.05 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1rdu n THR 32 Cb 0.49 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.14 0.00 -0.79 -0.78 1.02 -1.26 -4.44 120.64 114.54 1rdu n GLU 33 Ca 0.12 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1rdu n GLU 33 Cb 0.65 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.12 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rdu n SER 34 N -0.02 5.61 -1.79 1.62 2.88 -1.24 -4.77 113.62 115.91 1rdu n SER 34 Ca 0.00 -2.95 -0.12 0.00 -1.33 0.00 0.00 58.87 54.47 1rdu n SER 34 Cb 0.00 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rdu n GLY 35 N 0.25 0.48 3.85 0.46 0.00 -0.99 -4.95 105.19 104.28 1rdu n GLY 35 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.02 6.60 -0.01 1.61 0.01 -1.15 -4.92 114.94 115.06 1rdu s ASN 36 Ca 0.00 1.39 0.00 0.00 -0.71 0.00 0.00 52.86 53.54 1rdu s ASN 36 Cb 0.00 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1rdu s ASN 36 CO 0.00 -0.49 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.40 1rdu s VAL 37 N -2.49 0.09 0.29 1.60 1.01 -1.26 -0.40 120.40 119.24 1rdu s VAL 37 Ca 0.56 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.63 1rdu s VAL 37 Cb -0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.10 1rdu s VAL 37 CO 0.30 0.06 -0.11 -1.83 0.00 0.00 0.00 175.10 173.52 1rdu s GLU 38 N 0.30 1.63 -0.31 2.72 -1.05 -0.56 -4.95 118.70 116.47 1rdu s GLU 38 Ca -0.03 -1.80 0.03 0.00 -0.15 0.00 0.00 54.97 53.02 1rdu s GLU 38 Cb -0.05 -1.44 0.08 0.00 -0.44 0.00 0.00 34.13 32.29 1rdu s GLU 38 CO -0.01 0.15 0.00 0.08 0.95 0.00 0.00 175.26 176.43 1rdu s VAL 39 N -2.78 2.39 0.47 1.83 1.01 -1.26 -0.93 120.40 121.13 1rdu s VAL 39 Ca 0.29 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.09 1rdu s VAL 39 Cb 0.01 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1rdu s VAL 39 CO 0.13 -0.37 0.98 -0.69 0.00 0.00 0.00 175.10 175.15 1rdu s VAL 40 N 1.02 4.35 -0.15 2.92 1.01 -0.01 -4.93 120.40 124.61 1rdu s VAL 40 Ca 0.02 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.36 1rdu s VAL 40 Cb -0.20 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1rdu s VAL 40 CO -0.06 -0.45 -0.21 -0.70 0.00 0.00 0.00 175.10 173.68 1rdu s GLU 41 N -3.53 2.99 -0.17 2.72 2.12 -1.26 -1.34 118.70 120.22 1rdu s GLU 41 Ca 0.62 -0.84 -0.04 0.00 0.36 0.00 0.00 54.97 55.07 1rdu s GLU 41 Cb -0.10 -2.46 0.08 0.00 0.26 0.00 0.00 34.13 31.91 1rdu s GLU 41 CO 0.21 -0.07 0.21 1.21 -0.54 0.00 0.00 175.26 176.28 1rdu s ASN 42 N 0.96 1.16 -1.18 -1.70 3.84 -0.14 -4.97 114.94 112.91 1rdu s ASN 42 Ca -0.04 -0.03 -0.05 0.00 0.21 0.00 0.00 52.86 52.95 1rdu s ASN 42 Cb -0.15 0.39 0.23 0.00 -0.55 0.00 0.00 41.25 41.17 1rdu s ASN 42 CO -0.05 -0.30 1.90 0.35 -2.79 0.00 0.00 177.10 176.20 1rdu n THR 43 N 5.32 5.25 -1.86 -5.21 -2.24 -1.26 -4.35 114.28 109.93 1rdu n THR 43 Ca -0.05 -5.14 -0.30 0.00 -2.27 0.00 0.00 64.05 56.28 1rdu n THR 43 Cb 0.50 -2.03 0.05 0.00 -2.10 0.00 0.00 70.33 66.75 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 -1.92 3.38 0.00 2.28 -0.00 -1.26 -5.07 121.20 118.61 1rdu s ILE 44 Ca 0.41 0.45 0.00 0.00 -0.00 0.00 0.00 60.65 61.51 1rdu s ILE 44 Cb 0.13 -3.43 0.00 0.00 -0.00 0.00 0.00 42.46 39.16 1rdu s ILE 44 CO -0.02 -0.59 0.00 0.00 -0.00 0.00 0.00 174.94 174.33 1rdu n ALA 45 N -3.05 0.00 -2.62 2.27 0.00 -1.26 -4.96 120.51 110.89 1rdu n ALA 45 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1rdu n ALA 45 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 1rdu n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rdu n ASP 46 N 0.00 2.18 -3.47 0.00 2.03 -1.26 -4.92 116.55 111.11 1rdu n ASP 46 Ca 0.00 -2.41 -0.12 0.00 0.52 0.00 0.00 54.79 52.78 1rdu n ASP 46 Cb 0.00 -0.44 0.06 0.00 -0.72 0.00 0.00 41.12 40.02 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rdu n ALA 47 N -0.54 0.29 -0.98 -1.67 0.00 -1.26 -5.08 120.51 111.26 1rdu n ALA 47 Ca 0.14 -1.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.15 1rdu n ALA 47 Cb 0.86 0.22 0.13 0.00 0.00 0.00 0.00 19.45 20.66 1rdu n ALA 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rdu n HIS 48 N -2.04 0.60 0.35 0.00 -0.00 -1.26 -4.96 115.22 107.91 1rdu n HIS 48 Ca 0.09 0.38 -0.16 0.00 -0.00 0.00 0.00 57.72 58.03 1rdu n HIS 48 Cb 0.33 -2.02 -0.08 0.00 -0.00 0.00 0.00 29.99 28.22 1rdu n HIS 48 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1rdu h GLY 49 N -1.16 -1.12 0.00 -1.41 0.00 -1.98 -3.48 103.07 93.92 1rdu h GLY 49 Ca -0.45 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1rdu h GLY 49 CO 0.43 -0.38 0.00 -1.30 0.00 0.00 0.00 176.54 175.29 1rdu n THR 50 N -4.84 0.00 -0.74 4.70 -2.24 -1.26 -4.67 114.28 105.22 1rdu n THR 50 Ca -0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 1rdu n THR 50 Cb 0.40 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.86 1rdu n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rdu s GLY 51 N -0.54 1.54 0.56 3.38 0.00 -1.26 -4.92 107.32 106.07 1rdu s GLY 51 Ca 0.00 -0.29 0.24 0.00 0.00 0.00 0.00 44.72 44.67 1rdu s GLY 51 CO 0.00 0.43 2.21 -0.56 0.00 0.00 0.00 173.10 175.18 1rdu h PRO 52 N -2.48 0.00 0.00 2.90 0.13 -1.98 -3.46 132.00 127.11 1rdu h PRO 52 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1rdu h PRO 52 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1rdu h PRO 52 CO 0.52 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.92 1rdu n LYS 53 N -4.15 0.00 0.20 0.86 5.02 -1.26 -3.77 118.16 115.06 1rdu n LYS 53 Ca -0.03 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1rdu n LYS 53 Cb 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.02 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1rdu h VAL 54 N 0.00 0.23 -0.37 -0.18 3.04 -1.93 -3.05 116.25 113.98 1rdu h VAL 54 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1rdu h VAL 54 Cb 0.00 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 29.49 1rdu h VAL 54 CO 0.00 0.00 0.01 0.58 -1.01 0.00 0.00 177.57 177.15 1rdu h VAL 55 N -0.73 1.21 0.00 1.51 2.07 -1.97 0.07 116.25 118.41 1rdu h VAL 55 Ca -0.01 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1rdu h VAL 55 Cb 0.68 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1rdu h VAL 55 CO -0.11 0.28 0.12 1.56 0.02 0.00 0.00 177.57 179.44 1rdu h GLN 56 N 0.56 0.00 0.01 1.57 1.08 -1.82 0.45 115.11 116.96 1rdu h GLN 56 Ca 0.12 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.91 1rdu h GLN 56 Cb 0.34 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 1rdu h GLN 56 CO 0.01 0.00 -2.34 0.45 -0.95 0.00 0.00 178.83 176.00 1rdu n SER 57 N -2.43 1.97 -0.08 1.46 2.88 -0.06 -4.27 113.62 113.09 1rdu n SER 57 Ca -0.02 0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1rdu n SER 57 Cb 0.15 -0.72 0.05 0.00 -0.75 0.00 0.00 64.21 62.95 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 -0.62 0.81 -0.34 2.46 3.38 -0.59 -1.45 115.31 118.97 1rdu h LEU 58 Ca -0.61 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.10 1rdu h LEU 58 Cb 1.70 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 1rdu h LEU 58 CO -0.26 1.07 -0.12 0.58 0.09 0.00 0.00 178.44 179.80 1rdu h VAL 59 N 0.66 0.59 0.00 1.22 2.07 -1.21 -0.49 116.25 119.09 1rdu h VAL 59 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1rdu h VAL 59 Cb 0.86 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1rdu h VAL 59 CO 0.08 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.47 1rdu n SER 60 N -5.30 0.23 -2.00 0.57 7.64 -0.62 -1.09 113.62 113.05 1rdu n SER 60 Ca 0.01 -1.49 -0.10 0.00 1.01 0.00 0.00 58.87 58.30 1rdu n SER 60 Cb 0.22 -0.12 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.30 2.43 -4.19 1.43 5.02 -0.23 -5.02 118.16 117.29 1rdu n LYS 61 Ca 0.00 -3.65 -0.37 0.00 -2.02 0.00 0.00 58.31 52.27 1rdu n LYS 61 Cb 0.06 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.63 -0.38 3.55 0.72 0.00 -0.25 -4.75 105.19 103.45 1rdu n GLY 62 Ca 0.26 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.00 4.12 -0.32 1.61 1.01 -0.99 -3.24 120.40 119.59 1rdu s VAL 63 Ca 0.73 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1rdu s VAL 63 Cb -0.42 -5.05 0.30 0.00 0.00 0.00 0.00 36.38 31.21 1rdu s VAL 63 CO 0.89 -1.89 1.80 -0.62 0.00 0.00 0.00 175.10 175.28 1rdu n GLU 64 N 8.32 1.83 -3.55 2.72 1.02 -0.89 -4.68 120.64 125.40 1rdu n GLU 64 Ca 0.36 -1.76 -0.08 0.00 -0.02 0.00 0.00 57.16 55.66 1rdu n GLU 64 Cb 0.49 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.99 -0.35 0.02 -0.32 2.02 -0.99 -1.84 117.35 113.89 1rdu s TYR 65 Ca 0.34 0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.90 1rdu s TYR 65 Cb 0.28 0.57 0.07 0.00 -0.40 0.00 0.00 41.96 42.48 1rdu s TYR 65 CO 0.02 -0.73 0.66 -1.17 -1.57 0.00 0.00 175.55 172.77 1rdu s LEU 66 N -2.67 -0.63 -0.35 -1.29 2.96 -0.66 -1.97 118.68 114.08 1rdu s LEU 66 Ca 0.06 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1rdu s LEU 66 Cb -0.01 2.55 0.10 0.00 0.50 0.00 0.00 46.19 49.33 1rdu s LEU 66 CO -0.07 -0.72 0.10 -0.63 -1.32 0.00 0.00 176.35 173.71 1rdu s ILE 67 N -2.01 1.64 -0.14 6.68 1.01 -0.31 0.04 121.20 128.11 1rdu s ILE 67 Ca -0.07 -2.02 -0.09 0.00 0.00 0.00 0.00 60.65 58.46 1rdu s ILE 67 Cb -0.00 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1rdu s ILE 67 CO 0.03 -0.67 0.35 0.00 0.00 0.00 0.00 174.94 174.64 1rdu s ALA 68 N 1.09 -0.86 -0.27 9.38 0.00 0.45 -4.09 121.76 127.46 1rdu s ALA 68 Ca 0.11 1.21 0.28 0.00 0.00 0.00 0.00 51.96 53.56 1rdu s ALA 68 Cb -0.19 -0.73 0.93 0.00 0.00 0.00 0.00 23.12 23.12 1rdu s ALA 68 CO -0.14 -0.21 1.80 0.66 0.00 0.00 0.00 175.76 177.87 1rdu h SER 69 N 6.64 0.00 -0.47 0.00 4.64 -1.76 -3.34 113.55 119.25 1rdu h SER 69 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1rdu h SER 69 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1rdu h SER 69 CO 0.31 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.07 1rdu n ASN 70 N -2.84 0.00 -3.93 4.97 2.85 -1.25 -4.82 115.26 110.24 1rdu n ASN 70 Ca 0.03 -0.99 -0.14 0.00 -0.11 0.00 0.00 54.58 53.37 1rdu n ASN 70 Cb 0.38 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.25 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 -2.48 0.24 0.18 3.44 0.11 -1.26 -0.71 120.40 119.92 1rdu s VAL 71 Ca 0.00 -0.16 -0.23 0.00 -2.93 0.00 0.00 61.98 58.66 1rdu s VAL 71 Cb 0.00 -0.22 0.08 0.00 -1.53 0.00 0.00 36.38 34.71 1rdu s VAL 71 CO 0.00 0.05 1.58 1.23 -3.33 0.00 0.00 175.10 174.63 1rdu h GLY 72 N 6.02 -0.25 0.00 6.54 0.00 -1.86 -3.44 103.07 110.08 1rdu h GLY 72 Ca -0.27 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1rdu h GLY 72 CO 0.50 -0.20 0.00 -2.13 0.00 0.00 0.00 176.54 174.72 1rdu n ARG 73 N -5.42 0.00 0.00 4.80 0.63 -1.26 -4.63 116.66 110.78 1rdu n ARG 73 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1rdu n ARG 73 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 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 0.00 0.00 6.15 4.05 -0.89 -4.78 115.26 119.79 1rdu n ASN 74 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1rdu n ASN 74 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rdu n ALA 75 N 5.61 0.00 -0.34 5.20 0.00 -1.26 -4.70 120.51 125.02 1rdu n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rdu n ALA 75 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 1.10 -0.46 0.00 3.57 -1.89 -1.08 116.94 118.18 1rdu h PHE 76 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1rdu h PHE 76 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1rdu h PHE 76 CO 0.00 0.60 -0.15 0.93 -2.23 0.00 0.00 178.31 177.46 1rdu h GLU 77 N 1.11 0.91 0.00 1.11 5.08 -1.95 -2.47 114.58 118.38 1rdu h GLU 77 Ca 0.39 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rdu h GLU 77 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rdu h GLU 77 CO -0.15 1.02 0.00 1.15 -1.00 0.00 0.00 179.01 180.03 1rdu h THR 78 N 0.75 0.00 0.34 1.13 2.02 -1.64 -1.02 112.91 114.49 1rdu h THR 78 Ca 0.11 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1rdu h THR 78 Cb 0.71 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1rdu h THR 78 CO 0.05 0.00 -0.16 -0.07 0.37 0.00 0.00 175.52 175.71 1rdu h LEU 79 N 0.00 -0.38 -1.42 2.58 3.38 -0.79 -3.05 115.31 115.64 1rdu h LEU 79 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1rdu h LEU 79 Cb 0.44 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1rdu h LEU 79 CO 0.00 -0.00 0.44 0.07 0.09 0.00 0.00 178.44 179.03 1rdu h LYS 80 N -0.99 0.72 0.00 1.13 2.10 -1.47 0.40 116.57 118.46 1rdu h LYS 80 Ca -0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1rdu h LYS 80 Cb 0.35 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1rdu h LYS 80 CO 0.08 0.47 0.00 0.00 -2.00 0.00 0.00 179.45 178.00 1rdu n ALA 81 N -2.45 1.39 -1.90 0.07 0.00 -0.39 -1.37 120.51 115.86 1rdu n ALA 81 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1rdu n ALA 81 Cb 0.17 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.38 4.49 -2.67 0.00 0.00 0.09 -4.98 120.51 116.05 1rdu n ALA 82 Ca 0.02 -3.59 -0.11 0.00 0.00 0.00 0.00 53.44 49.76 1rdu n ALA 82 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.83 -0.49 3.62 0.00 0.00 -0.47 -4.63 105.19 102.38 1rdu n GLY 83 Ca 0.34 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.48 4.63 -0.89 1.61 1.01 -0.92 -4.67 120.40 118.69 1rdu s VAL 84 Ca 0.09 1.43 -0.25 0.00 0.00 0.00 0.00 61.98 63.25 1rdu s VAL 84 Cb -0.05 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1rdu s VAL 84 CO 0.11 -0.40 1.38 -0.75 0.00 0.00 0.00 175.10 175.44 1rdu s LYS 85 N 3.35 3.39 -0.03 2.72 2.20 -0.77 -4.51 119.74 126.10 1rdu s LYS 85 Ca 0.39 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1rdu s LYS 85 Cb -0.13 -4.81 -0.03 0.00 -1.51 0.00 0.00 37.83 31.35 1rdu s LYS 85 CO 0.15 -2.20 0.98 0.08 -0.36 0.00 0.00 175.35 174.00 1rdu s VAL 86 N 5.41 4.85 0.26 4.02 1.01 -1.26 -1.65 120.40 133.05 1rdu s VAL 86 Ca 0.41 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.50 1rdu s VAL 86 Cb -0.04 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1rdu s VAL 86 CO 0.02 0.12 0.27 -0.31 0.00 0.00 0.00 175.10 175.19 1rdu s TYR 87 N 1.27 3.20 0.66 5.22 1.51 0.11 -1.15 117.35 128.17 1rdu s TYR 87 Ca 0.51 -0.10 -0.11 0.00 -1.01 0.00 0.00 57.07 56.35 1rdu s TYR 87 Cb -0.20 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1rdu s TYR 87 CO 0.25 0.44 1.05 0.50 -1.11 0.00 0.00 175.55 176.69 1rdu s ARG 88 N -3.91 3.26 0.15 -0.62 6.06 0.59 -0.41 118.95 124.06 1rdu s ARG 88 Ca 0.34 0.71 -0.00 0.00 -2.50 0.00 0.00 55.73 54.28 1rdu s ARG 88 Cb -0.08 -2.05 -0.04 0.00 0.06 0.00 0.00 34.95 32.84 1rdu s ARG 88 CO 0.27 -0.80 0.04 -0.59 -2.50 0.00 0.00 175.30 171.71 1rdu s PHE 89 N -3.20 0.98 -0.28 5.12 -0.71 -1.25 -4.31 117.98 114.33 1rdu s PHE 89 Ca 0.56 -1.17 0.18 0.00 -1.04 0.00 0.00 56.93 55.46 1rdu s PHE 89 Cb -0.12 -0.56 0.45 0.00 -1.21 0.00 0.00 43.02 41.58 1rdu s PHE 89 CO 0.54 -0.42 1.32 -1.91 -1.34 0.00 0.00 175.22 173.41 1rdu n GLU 90 N -0.15 1.46 0.00 1.99 4.07 -1.26 -4.13 120.64 122.63 1rdu n GLU 90 Ca -0.06 -2.29 0.00 0.00 -0.06 0.00 0.00 57.16 54.75 1rdu n GLU 90 Cb 0.64 -0.52 0.00 0.00 -0.06 0.00 0.00 31.44 31.49 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rdu n GLY 91 N -1.02 2.52 0.00 8.31 0.00 -1.26 -5.19 105.19 108.55 1rdu n GLY 91 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.20 3.94 -0.02 0.00 -1.26 -5.01 105.19 104.03 1rdu n GLY 92 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 2.14 0.32 2.61 -4.23 -1.26 -2.48 115.64 110.74 1rdu s THR 93 Ca 0.00 -0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.38 1rdu s THR 93 Cb 0.00 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.23 1rdu s THR 93 CO 0.00 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 1rdu h VAL 94 N -0.94 0.54 -0.29 2.29 2.07 -0.65 -0.08 116.25 119.19 1rdu h VAL 94 Ca -0.43 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1rdu h VAL 94 Cb 1.29 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1rdu h VAL 94 CO 0.51 0.11 0.02 -0.61 0.02 0.00 0.00 177.57 177.62 1rdu h GLN 95 N 0.58 0.43 -0.20 1.57 4.15 -1.52 -3.04 115.11 117.08 1rdu h GLN 95 Ca 0.64 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.80 1rdu h GLN 95 Cb 1.20 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1rdu h GLN 95 CO -0.48 0.44 -0.60 0.93 -1.93 0.00 0.00 178.83 177.20 1rdu h GLU 96 N 0.42 0.66 -0.88 1.69 4.39 -1.33 0.12 114.58 119.65 1rdu h GLU 96 Ca 0.10 -0.44 0.22 0.00 0.34 0.00 0.00 59.36 59.58 1rdu h GLU 96 Cb 0.25 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 28.83 1rdu h GLU 96 CO 0.00 1.06 0.32 0.00 -1.16 0.00 0.00 179.01 179.24 1rdu h ALA 97 N 0.84 1.35 0.00 3.43 0.00 -1.39 0.61 119.26 124.10 1rdu h ALA 97 Ca -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1rdu h ALA 97 Cb 1.17 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1rdu h ALA 97 CO 0.12 -0.40 -0.10 0.82 0.00 0.00 0.00 179.25 179.69 1rdu h ILE 98 N 0.31 0.75 -0.36 0.00 1.08 -1.38 -1.40 117.51 116.50 1rdu h ILE 98 Ca 0.55 -1.58 0.08 0.00 -0.39 0.00 0.00 64.86 63.51 1rdu h ILE 98 Cb 1.07 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 1rdu h ILE 98 CO -0.58 0.25 0.25 0.44 -0.69 0.00 0.00 178.15 177.83 1rdu h ASP 99 N -1.00 0.13 0.00 1.72 3.32 -0.77 0.36 116.42 120.18 1rdu h ASP 99 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1rdu h ASP 99 Cb 0.49 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1rdu h ASP 99 CO -0.01 0.08 -0.11 0.00 -1.72 0.00 0.00 179.24 177.48 1rdu h ALA 100 N 1.81 0.02 -0.70 3.45 0.00 -0.94 -3.18 119.26 119.72 1rdu h ALA 100 Ca 0.17 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1rdu h ALA 100 Cb 0.48 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1rdu h ALA 100 CO -0.02 0.07 0.25 0.35 0.00 0.00 0.00 179.25 179.90 1rdu h PHE 101 N -1.00 0.42 -0.33 0.00 3.57 -0.72 0.18 116.94 119.07 1rdu h PHE 101 Ca -0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1rdu h PHE 101 Cb 0.78 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1rdu h PHE 101 CO 0.19 0.04 0.01 0.66 -2.23 0.00 0.00 178.31 176.99 1rdu h SER 102 N 0.39 0.56 -0.85 0.41 4.64 -0.41 -2.20 113.55 116.09 1rdu h SER 102 Ca 0.38 -0.30 -0.54 0.00 -0.47 0.00 0.00 61.79 60.86 1rdu h SER 102 Cb 0.56 -0.15 -0.25 0.00 -0.31 0.00 0.00 62.40 62.25 1rdu h SER 102 CO -0.39 0.72 0.69 -0.62 -0.87 0.00 0.00 176.83 176.36 1rdu n GLU 103 N -4.55 2.33 -4.37 4.77 1.02 -1.14 -4.88 120.64 113.82 1rdu n GLU 103 Ca -0.02 -2.72 -0.36 0.00 -0.02 0.00 0.00 57.16 54.04 1rdu n GLU 103 Cb 0.25 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 29.54 1rdu n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rdu n GLY 104 N -0.65 -0.30 2.10 0.62 0.00 -0.83 -4.88 105.19 101.25 1rdu n GLY 104 Ca 0.53 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.32 2.72 -4.25 1.61 1.74 0.62 -4.98 116.66 109.80 1rdu n ARG 105 Ca -0.07 -3.43 -0.15 0.00 -0.77 0.00 0.00 57.85 53.42 1rdu n ARG 105 Cb 0.56 -2.21 -0.09 0.00 -1.02 0.00 0.00 32.46 29.69 1rdu n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rdu s LEU 106 N -3.63 1.41 0.05 0.55 1.43 -1.25 -4.68 118.68 112.57 1rdu s LEU 106 Ca 0.58 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.24 1rdu s LEU 106 Cb 0.47 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 47.01 1rdu s LEU 106 CO 0.02 -0.89 -0.09 -1.61 0.23 0.00 0.00 176.35 174.01 1rdu s GLU 107 N -3.94 2.31 -0.75 1.70 0.41 -1.26 -4.97 118.70 112.20 1rdu s GLU 107 Ca 0.39 -0.89 -0.26 0.00 -0.41 0.00 0.00 54.97 53.80 1rdu s GLU 107 Cb 0.06 -2.38 0.04 0.00 -1.78 0.00 0.00 34.13 30.07 1rdu s GLU 107 CO 0.16 0.55 1.25 -2.00 -0.49 0.00 0.00 175.26 174.73 1rdu s GLU 108 N -1.79 3.21 -1.02 1.61 2.12 -1.26 -0.30 118.70 121.28 1rdu s GLU 108 Ca 0.19 -0.41 -0.18 0.00 0.36 0.00 0.00 54.97 54.93 1rdu s GLU 108 Cb -0.11 -4.29 0.13 0.00 0.26 0.00 0.00 34.13 30.12 1rdu s GLU 108 CO 0.10 -2.10 1.26 -1.17 -0.54 0.00 0.00 175.26 172.81 1rdu s LEU 109 N 5.41 4.79 -0.24 2.70 2.96 -0.30 -4.83 118.68 129.17 1rdu s LEU 109 Ca 0.34 -2.19 0.11 0.00 -0.22 0.00 0.00 54.13 52.17 1rdu s LEU 109 Cb -0.09 -2.43 0.45 0.00 0.50 0.00 0.00 46.19 44.62 1rdu s LEU 109 CO 0.12 -1.06 1.19 0.35 -1.32 0.00 0.00 176.35 175.64 1rdu n THR 110 N 5.53 2.19 -2.57 3.68 -2.24 -1.26 -4.43 114.28 115.19 1rdu n THR 110 Ca 0.29 -3.61 -0.03 0.00 -2.27 0.00 0.00 64.05 58.44 1rdu n THR 110 Cb 0.48 -0.52 0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1rdu n THR 110 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rdu n THR 111 N -0.79 0.02 -4.70 4.28 -2.24 -1.26 -5.11 114.28 104.48 1rdu n THR 111 Ca 0.30 -0.87 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 1rdu n THR 111 Cb 0.86 0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 69.85 1rdu n THR 111 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1rdu s PHE 112 N 0.05 1.93 -0.01 4.78 -0.71 -1.26 -5.12 117.98 117.64 1rdu s PHE 112 Ca 0.08 -0.81 -0.03 0.00 -1.04 0.00 0.00 56.93 55.13 1rdu s PHE 112 Cb 0.38 -1.36 -0.00 0.00 -1.21 0.00 0.00 43.02 40.82 1rdu s PHE 112 CO -0.11 -0.39 0.06 0.95 -1.34 0.00 0.00 175.22 174.39 1rdu s THR 113 N 0.70 0.04 -0.18 -4.49 -4.23 -1.26 -4.86 115.64 101.36 1rdu s THR 113 Ca -0.13 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 59.90 1rdu s THR 113 Cb -0.16 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.54 1rdu s THR 113 CO 0.03 -0.17 0.51 -0.60 -0.54 0.00 0.00 174.62 173.85 1rdu s ARG 114 N -0.50 0.62 -0.45 3.99 6.06 -1.26 -4.96 118.95 122.44 1rdu s ARG 114 Ca -0.06 0.65 0.06 0.00 -2.50 0.00 0.00 55.73 53.88 1rdu s ARG 114 Cb -0.04 0.30 0.19 0.00 0.06 0.00 0.00 34.95 35.46 1rdu s ARG 114 CO 0.00 -0.09 0.53 -1.91 -2.50 0.00 0.00 175.30 171.33 1rdu n GLU 115 N 2.66 0.39 0.00 5.12 2.13 -1.26 -2.10 120.64 127.58 1rdu n GLU 115 Ca -0.14 -2.68 0.03 0.00 0.66 0.00 0.00 57.16 55.03 1rdu n GLU 115 Cb 0.56 -1.55 0.02 0.00 0.27 0.00 0.00 31.44 30.75 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13