#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 0.38 -0.53 3.17 0.00 -1.26 -4.97 121.76 118.55 1rdu s ALA 2 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 1rdu s ALA 2 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1rdu s ALA 2 CO 0.00 -1.03 1.13 1.03 0.00 0.00 0.00 175.76 176.89 1rdu s ARG 3 N 2.15 3.57 0.41 0.00 0.52 -1.26 -3.22 118.95 121.11 1rdu s ARG 3 Ca 0.03 0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 1rdu s ARG 3 Cb -0.15 -3.97 -0.07 0.00 0.52 0.00 0.00 34.95 31.27 1rdu s ARG 3 CO -0.08 -1.53 0.81 0.54 0.02 0.00 0.00 175.30 175.06 1rdu s VAL 4 N 4.62 4.70 0.05 3.52 0.11 -0.89 -0.57 120.40 131.95 1rdu s VAL 4 Ca 0.43 0.83 0.07 0.00 -2.93 0.00 0.00 61.98 60.39 1rdu s VAL 4 Cb -0.08 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1rdu s VAL 4 CO 0.27 -0.48 -0.21 0.00 -3.33 0.00 0.00 175.10 171.36 1rdu s ALA 5 N -2.33 1.77 -0.10 1.54 0.00 -1.10 -2.32 121.76 119.21 1rdu s ALA 5 Ca 0.54 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1rdu s ALA 5 Cb -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1rdu s ALA 5 CO 0.28 0.39 -0.12 0.42 0.00 0.00 0.00 175.76 176.73 1rdu s ILE 6 N -0.87 1.26 -0.56 0.00 1.09 0.32 -1.97 121.20 120.48 1rdu s ILE 6 Ca 0.07 -0.49 -0.27 0.00 -1.10 0.00 0.00 60.65 58.86 1rdu s ILE 6 Cb -0.09 -1.19 -0.00 0.00 -1.06 0.00 0.00 42.46 40.12 1rdu s ILE 6 CO 0.02 0.40 1.61 -2.16 -0.10 0.00 0.00 174.94 174.71 1rdu s PRO 7 N 1.19 3.07 0.47 2.79 0.04 -1.26 -1.37 135.00 139.93 1rdu s PRO 7 Ca -0.04 0.60 0.08 0.00 0.04 0.00 0.00 61.00 61.68 1rdu s PRO 7 Cb -0.14 -4.23 0.03 0.00 0.04 0.00 0.00 34.50 30.20 1rdu s PRO 7 CO -0.03 -2.21 0.60 0.45 0.04 0.00 0.00 177.00 175.85 1rdu s SER 8 N 5.87 5.36 -0.25 6.66 0.15 0.19 -0.59 113.70 131.08 1rdu s SER 8 Ca 0.60 -0.63 0.16 0.00 0.70 0.00 0.00 55.95 56.77 1rdu s SER 8 Cb -0.13 -0.31 0.48 0.00 -1.71 0.00 0.00 66.02 64.35 1rdu s SER 8 CO 0.24 -0.94 1.16 1.33 1.20 0.00 0.00 173.24 176.23 1rdu n VAL 9 N -1.93 1.77 -3.93 4.45 0.24 -0.72 -2.44 118.33 115.78 1rdu n VAL 9 Ca 0.09 -3.35 0.04 0.00 -2.04 0.00 0.00 64.34 59.08 1rdu n VAL 9 Cb 0.60 0.16 0.01 0.00 -1.47 0.00 0.00 33.84 33.14 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 -3.55 -0.23 -0.50 7.63 0.00 -1.26 -4.75 107.32 104.66 1rdu s GLY 10 Ca 0.38 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1rdu s GLY 10 CO -0.02 5.10 1.67 0.28 0.00 0.00 0.00 173.10 180.13 1rdu n LYS 11 N -0.86 3.10 -4.27 2.90 5.02 -1.26 -4.80 118.16 118.00 1rdu n LYS 11 Ca 0.02 -3.68 -0.19 0.00 -2.02 0.00 0.00 58.31 52.45 1rdu n LYS 11 Cb 0.59 -2.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 1rdu n LYS 11 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rdu s ASP 12 N -2.61 2.17 0.24 4.39 -1.08 -1.26 -5.01 116.67 113.53 1rdu s ASP 12 Ca 0.59 -0.83 0.25 0.00 -0.52 0.00 0.00 52.55 52.04 1rdu s ASP 12 Cb 0.47 -0.09 0.92 0.00 -1.46 0.00 0.00 42.92 42.76 1rdu s ASP 12 CO 0.01 -0.12 1.74 -0.11 0.52 0.00 0.00 175.17 177.21 1rdu n LEU 13 N 0.46 0.73 -2.03 -1.34 -0.00 -1.26 -1.61 117.00 111.95 1rdu n LEU 13 Ca -0.15 0.64 -0.26 0.00 -0.00 0.00 0.00 56.01 56.24 1rdu n LEU 13 Cb 0.57 -0.48 0.07 0.00 -0.00 0.00 0.00 43.42 43.58 1rdu n LEU 13 CO 0.28 -0.43 0.78 -0.24 -0.00 0.00 0.00 177.39 177.78 1rdu n SER 14 N -2.26 5.63 -4.93 1.96 2.88 -1.26 -1.07 113.62 114.58 1rdu n SER 14 Ca 0.03 -3.77 -0.26 0.00 -1.33 0.00 0.00 58.87 53.55 1rdu n SER 14 Cb 0.30 -0.64 0.05 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 -2.71 5.26 0.37 -3.46 0.01 -0.63 -4.86 113.70 107.67 1rdu s SER 15 Ca 0.56 0.51 -0.24 0.00 1.31 0.00 0.00 55.95 58.09 1rdu s SER 15 Cb 0.45 -1.37 -0.10 0.00 0.21 0.00 0.00 66.02 65.22 1rdu s SER 15 CO 0.02 -1.27 0.98 -0.04 0.41 0.00 0.00 173.24 173.33 1rdu s MET 16 N -5.05 4.38 -0.04 12.44 -1.94 -1.26 -0.21 119.30 127.62 1rdu s MET 16 Ca 0.56 1.34 -0.22 0.00 -1.71 0.00 0.00 55.69 55.66 1rdu s MET 16 Cb -0.11 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1rdu s MET 16 CO 0.44 0.09 0.65 0.08 -0.01 0.00 0.00 175.02 176.26 1rdu s VAL 17 N -1.75 4.99 -0.04 -6.03 1.01 -0.66 -1.75 120.40 116.16 1rdu s VAL 17 Ca 0.55 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.70 1rdu s VAL 17 Cb -0.17 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1rdu s VAL 17 CO 0.22 0.33 0.47 -0.55 0.00 0.00 0.00 175.10 175.57 1rdu s SER 18 N 0.36 6.81 -0.04 3.32 0.15 0.24 -4.76 113.70 119.78 1rdu s SER 18 Ca 0.34 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.95 1rdu s SER 18 Cb -0.18 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1rdu s SER 18 CO 0.17 0.17 1.84 0.47 1.20 0.00 0.00 173.24 177.10 1rdu n ASP 19 N 2.60 5.07 -3.12 5.45 8.00 -1.26 -4.59 116.55 128.70 1rdu n ASP 19 Ca -0.10 -2.42 0.03 0.00 0.71 0.00 0.00 54.79 53.01 1rdu n ASP 19 Cb 0.52 -1.02 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 -0.22 0.48 0.36 -1.24 1.70 -1.26 -4.17 118.95 114.61 1rdu s ARG 20 Ca 0.04 0.19 0.08 0.00 -0.47 0.00 0.00 55.73 55.57 1rdu s ARG 20 Cb 0.03 0.14 0.68 0.00 -0.57 0.00 0.00 34.95 35.23 1rdu s ARG 20 CO 0.00 -0.81 1.86 0.35 -1.08 0.00 0.00 175.30 175.62 1rdu h PHE 21 N 7.29 0.31 -0.01 5.89 3.57 -1.33 -2.91 116.94 129.75 1rdu h PHE 21 Ca -0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1rdu h PHE 21 Cb 1.19 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1rdu h PHE 21 CO 0.10 0.45 -0.21 0.00 -2.23 0.00 0.00 178.31 176.42 1rdu n ALA 22 N -2.48 3.00 -3.49 2.41 0.00 -1.26 -4.08 120.51 114.60 1rdu n ALA 22 Ca -0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 1rdu n ALA 22 Cb 0.31 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 1rdu n ALA 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1rdu n ARG 23 N -0.32 0.61 -4.15 0.00 1.85 -1.11 -4.69 116.66 108.85 1rdu n ARG 23 Ca 0.13 -3.48 -0.22 0.00 -1.00 0.00 0.00 57.85 53.28 1rdu n ARG 23 Cb 0.37 -1.79 -0.17 0.00 -1.05 0.00 0.00 32.46 29.83 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rdu s ALA 24 N -0.38 0.82 -0.23 2.89 0.00 -1.18 -4.64 121.76 119.04 1rdu s ALA 24 Ca 0.31 -0.16 0.28 0.00 0.00 0.00 0.00 51.96 52.40 1rdu s ALA 24 Cb 0.03 -0.53 1.07 0.00 0.00 0.00 0.00 23.12 23.69 1rdu s ALA 24 CO -0.19 -0.09 1.83 0.93 0.00 0.00 0.00 175.76 178.25 1rdu h GLU 25 N 7.39 0.00 -3.78 0.00 5.08 -1.69 -3.44 114.58 118.14 1rdu h GLU 25 Ca -0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1rdu h GLU 25 Cb 1.15 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.23 1rdu h GLU 25 CO 0.44 0.00 -0.51 0.71 -1.00 0.00 0.00 179.01 178.64 1rdu s TYR 26 N -3.45 0.19 -0.21 4.33 1.51 -1.02 -1.04 117.35 117.66 1rdu s TYR 26 Ca 0.04 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.57 1rdu s TYR 26 Cb 0.09 -0.13 0.07 0.00 -0.11 0.00 0.00 41.96 41.87 1rdu s TYR 26 CO 0.51 -0.37 0.08 -0.06 -1.11 0.00 0.00 175.55 174.60 1rdu s PHE 27 N -2.62 0.57 -0.21 2.71 0.08 0.55 -0.64 117.98 118.43 1rdu s PHE 27 Ca -0.05 -0.67 -0.18 0.00 0.12 0.00 0.00 56.93 56.15 1rdu s PHE 27 Cb -0.01 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1rdu s PHE 27 CO -0.05 -0.62 0.52 0.42 -0.10 0.00 0.00 175.22 175.39 1rdu s ILE 28 N 2.01 5.10 -0.42 0.64 1.09 -0.47 -0.69 121.20 128.47 1rdu s ILE 28 Ca 0.03 0.94 0.02 0.00 -1.10 0.00 0.00 60.65 60.54 1rdu s ILE 28 Cb -0.16 -3.84 0.11 0.00 -1.06 0.00 0.00 42.46 37.51 1rdu s ILE 28 CO -0.14 0.16 0.16 -0.63 -0.10 0.00 0.00 174.94 174.39 1rdu s ILE 29 N 1.74 2.64 -0.29 2.92 1.01 0.16 -0.52 121.20 128.86 1rdu s ILE 29 Ca 0.24 -2.59 -0.24 0.00 0.00 0.00 0.00 60.65 58.05 1rdu s ILE 29 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1rdu s ILE 29 CO 0.09 -0.69 0.83 -0.47 0.00 0.00 0.00 174.94 174.71 1rdu s TYR 30 N 0.56 3.22 -0.25 3.97 5.04 -0.98 -2.23 117.35 126.69 1rdu s TYR 30 Ca 0.13 0.93 -0.22 0.00 -2.44 0.00 0.00 57.07 55.47 1rdu s TYR 30 Cb -0.21 -3.24 -0.01 0.00 0.35 0.00 0.00 41.96 38.84 1rdu s TYR 30 CO -0.05 -0.56 0.71 0.34 -1.34 0.00 0.00 175.55 174.65 1rdu s ASP 31 N 1.56 6.68 -1.33 4.32 -1.08 -0.79 -2.09 116.67 123.94 1rdu s ASP 31 Ca 0.35 0.83 -0.06 0.00 -0.52 0.00 0.00 52.55 53.15 1rdu s ASP 31 Cb -0.14 -2.38 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 1rdu s ASP 31 CO 0.12 -0.43 2.40 0.35 0.52 0.00 0.00 175.17 178.13 1rdu n THR 32 N 5.23 5.22 0.00 1.71 -2.24 -1.20 -3.04 114.28 119.96 1rdu n THR 32 Ca 0.02 -4.27 0.00 0.00 -2.27 0.00 0.00 64.05 57.53 1rdu n THR 32 Cb 0.48 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 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 1.79 0.00 -2.30 -0.78 1.02 -1.26 -4.32 120.64 114.79 1rdu n GLU 33 Ca 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.76 1rdu n GLU 33 Cb 0.25 -0.42 0.05 0.00 -0.02 0.00 0.00 31.44 31.29 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1rdu n SER 34 N -1.97 1.77 -0.55 1.62 7.64 -1.25 -5.00 113.62 115.88 1rdu n SER 34 Ca 0.00 -2.28 -0.06 0.00 1.01 0.00 0.00 58.87 57.54 1rdu n SER 34 Cb 0.08 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.34 0.55 3.74 0.23 0.00 -1.17 -4.93 105.19 103.26 1rdu n GLY 35 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.75 7.38 0.42 1.61 2.47 -1.26 -4.88 114.94 118.92 1rdu s ASN 36 Ca 0.00 1.64 0.07 0.00 0.42 0.00 0.00 52.86 55.00 1rdu s ASN 36 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1rdu s ASN 36 CO 0.00 -0.01 0.20 -0.69 -3.72 0.00 0.00 177.10 172.88 1rdu s VAL 37 N -0.13 2.31 0.01 -5.21 1.01 -1.26 -1.88 120.40 115.25 1rdu s VAL 37 Ca 0.43 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1rdu s VAL 37 Cb -0.22 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1rdu s VAL 37 CO 0.27 0.00 -0.03 -0.70 0.00 0.00 0.00 175.10 174.64 1rdu s GLU 38 N -3.92 0.23 -0.37 2.72 2.56 -0.94 -4.94 118.70 114.03 1rdu s GLU 38 Ca 0.41 -0.35 -0.09 0.00 0.00 0.00 0.00 54.97 54.94 1rdu s GLU 38 Cb 0.03 -0.04 0.04 0.00 2.00 0.00 0.00 34.13 36.16 1rdu s GLU 38 CO 0.23 0.00 0.18 0.08 -0.56 0.00 0.00 175.26 175.19 1rdu s VAL 39 N -0.74 4.23 -0.00 3.70 1.01 -1.26 -0.66 120.40 126.67 1rdu s VAL 39 Ca -0.07 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1rdu s VAL 39 Cb -0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1rdu s VAL 39 CO -0.00 -0.27 1.03 -0.69 0.00 0.00 0.00 175.10 175.16 1rdu s VAL 40 N 1.47 4.70 0.02 2.92 1.01 0.14 -4.94 120.40 125.72 1rdu s VAL 40 Ca 0.01 1.94 -0.24 0.00 0.00 0.00 0.00 61.98 63.69 1rdu s VAL 40 Cb -0.20 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1rdu s VAL 40 CO 0.04 0.13 0.72 -0.70 0.00 0.00 0.00 175.10 175.30 1rdu s GLU 41 N 1.16 4.45 -0.11 2.72 2.12 -1.26 -0.33 118.70 127.45 1rdu s GLU 41 Ca 0.53 0.97 -0.04 0.00 0.36 0.00 0.00 54.97 56.78 1rdu s GLU 41 Cb -0.22 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 30.85 1rdu s GLU 41 CO 0.27 0.26 0.22 1.21 -0.54 0.00 0.00 175.26 176.68 1rdu s ASN 42 N 0.06 0.32 -0.71 -1.70 3.84 -0.21 -4.95 114.94 111.60 1rdu s ASN 42 Ca 0.37 0.49 -0.01 0.00 0.21 0.00 0.00 52.86 53.92 1rdu s ASN 42 Cb -0.20 0.49 0.40 0.00 -0.55 0.00 0.00 41.25 41.39 1rdu s ASN 42 CO 0.21 -0.22 1.87 0.35 -2.79 0.00 0.00 177.10 176.52 1rdu n THR 43 N 5.06 3.39 -2.59 -5.21 -2.24 -1.26 -4.31 114.28 107.12 1rdu n THR 43 Ca -0.11 -3.96 -0.43 0.00 -2.27 0.00 0.00 64.05 57.29 1rdu n THR 43 Cb 0.50 -1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 67.50 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 -5.03 4.52 -0.44 2.28 -0.00 -1.26 -4.94 121.20 116.33 1rdu s ILE 44 Ca 0.55 1.81 0.05 0.00 -0.00 0.00 0.00 60.65 63.06 1rdu s ILE 44 Cb 0.45 -4.26 0.17 0.00 -0.00 0.00 0.00 42.46 38.83 1rdu s ILE 44 CO -0.24 -0.26 0.51 0.00 -0.00 0.00 0.00 174.94 174.95 1rdu s ALA 45 N 3.45 -0.69 0.19 2.27 0.00 -1.26 -4.93 121.76 120.78 1rdu s ALA 45 Ca 0.47 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1rdu s ALA 45 Cb -0.16 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1rdu s ALA 45 CO 0.11 -2.14 0.56 0.34 0.00 0.00 0.00 175.76 174.63 1rdu s ASP 46 N 0.90 -0.35 -0.27 0.00 -1.08 -1.26 -5.08 116.67 109.53 1rdu s ASP 46 Ca 0.26 -0.34 0.19 0.00 -0.52 0.00 0.00 52.55 52.14 1rdu s ASP 46 Cb -0.04 0.60 0.45 0.00 -1.46 0.00 0.00 42.92 42.47 1rdu s ASP 46 CO -0.08 -1.05 1.27 0.00 0.52 0.00 0.00 175.17 175.83 1rdu n ALA 47 N -0.36 2.74 -0.42 3.66 0.00 -1.26 -4.95 120.51 119.92 1rdu n ALA 47 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1rdu n ALA 47 Cb 0.63 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.87 0.00 0.00 0.00 8.25 -1.26 -5.09 115.22 116.25 1rdu n HIS 48 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1rdu n HIS 48 Cb 0.85 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rdu n GLY 49 N 1.10 1.92 2.21 -1.41 0.00 -1.26 -5.12 105.19 102.63 1rdu n GLY 49 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.23 -2.79 2.61 -1.04 -1.26 -5.11 114.28 106.45 1rdu n THR 50 Ca 0.00 -4.41 0.06 0.00 -2.04 0.00 0.00 64.05 57.66 1rdu n THR 50 Cb 0.00 -0.43 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 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 0.44 -1.70 0.18 3.41 0.00 -1.26 -4.40 105.19 101.86 1rdu n GLY 51 Ca 0.24 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 0.17 0.00 1.61 0.13 -1.99 -3.47 132.00 128.45 1rdu h PRO 52 Ca 0.01 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1rdu h PRO 52 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1rdu h PRO 52 CO 0.00 0.61 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1rdu n LYS 53 N -3.97 0.00 0.38 0.86 5.02 -1.26 -3.75 118.16 115.45 1rdu n LYS 53 Ca -0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 1rdu n LYS 53 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.26 -0.80 -0.18 3.04 -1.98 -2.82 116.25 113.77 1rdu h VAL 54 Ca 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.75 1rdu h VAL 54 Cb 0.00 0.26 -0.06 0.00 -2.01 0.00 0.00 31.29 29.48 1rdu h VAL 54 CO 0.00 0.00 0.49 0.58 -1.01 0.00 0.00 177.57 177.63 1rdu h VAL 55 N -0.97 1.02 -0.73 1.51 2.07 -1.97 0.05 116.25 117.22 1rdu h VAL 55 Ca -0.09 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.25 1rdu h VAL 55 Cb 0.76 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 1rdu h VAL 55 CO 0.14 0.16 0.30 1.56 0.02 0.00 0.00 177.57 179.75 1rdu h GLN 56 N 0.88 0.46 0.12 1.57 4.20 -1.77 0.13 115.11 120.69 1rdu h GLN 56 Ca 0.35 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1rdu h GLN 56 Cb 0.18 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1rdu h GLN 56 CO -0.18 0.30 -0.06 1.03 -0.67 0.00 0.00 178.83 179.26 1rdu h SER 57 N 0.47 -0.13 -0.66 1.46 0.87 -1.04 -2.51 113.55 112.01 1rdu h SER 57 Ca 0.39 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1rdu h SER 57 Cb 0.55 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1rdu h SER 57 CO -0.37 0.27 0.42 -0.07 -0.53 0.00 0.00 176.83 176.56 1rdu h LEU 58 N -0.56 0.70 -1.54 2.23 3.38 -0.37 0.73 115.31 119.89 1rdu h LEU 58 Ca -0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1rdu h LEU 58 Cb 0.45 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1rdu h LEU 58 CO 0.03 0.50 0.38 0.58 0.09 0.00 0.00 178.44 180.02 1rdu h VAL 59 N 0.84 1.01 -0.31 1.22 2.07 -0.85 -1.49 116.25 118.74 1rdu h VAL 59 Ca 0.26 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1rdu h VAL 59 Cb -0.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1rdu h VAL 59 CO -0.08 0.10 -0.29 -1.28 0.02 0.00 0.00 177.57 176.04 1rdu h SER 60 N 0.57 0.66 -0.07 0.57 0.87 -0.41 -2.26 113.55 113.48 1rdu h SER 60 Ca 0.25 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1rdu h SER 60 Cb 0.25 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1rdu h SER 60 CO -0.07 0.92 0.06 0.29 -0.53 0.00 0.00 176.83 177.49 1rdu n LYS 61 N -4.09 1.11 -2.13 2.24 4.01 -0.58 -4.83 118.16 113.89 1rdu n LYS 61 Ca -0.01 -0.23 -0.05 0.00 -0.51 0.00 0.00 58.31 57.51 1rdu n LYS 61 Cb 0.45 -1.09 -0.01 0.00 -0.51 0.00 0.00 35.03 33.88 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 1.17 -0.23 3.66 0.72 0.00 -0.85 -4.88 105.19 104.77 1rdu n GLY 62 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.06 3.18 -0.26 1.61 1.01 -1.08 -4.37 120.40 118.42 1rdu s VAL 63 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.35 1rdu s VAL 63 Cb 0.00 -3.17 0.45 0.00 0.00 0.00 0.00 36.38 33.66 1rdu s VAL 63 CO 0.00 -0.02 1.19 -0.62 0.00 0.00 0.00 175.10 175.65 1rdu n GLU 64 N 7.20 2.81 -3.56 2.72 1.02 0.27 -4.71 120.64 126.38 1rdu n GLU 64 Ca 0.19 -3.82 0.03 0.00 -0.02 0.00 0.00 57.16 53.55 1rdu n GLU 64 Cb 0.41 -1.98 -0.00 0.00 -0.02 0.00 0.00 31.44 29.85 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 -3.40 -0.00 -0.15 -0.32 2.02 -1.15 -3.50 117.35 110.85 1rdu s TYR 65 Ca 0.45 -0.00 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 1rdu s TYR 65 Cb 0.39 0.50 0.13 0.00 -0.40 0.00 0.00 41.96 42.58 1rdu s TYR 65 CO -0.00 -0.02 1.01 -1.17 -1.57 0.00 0.00 175.55 173.79 1rdu s LEU 66 N -2.94 -0.34 -0.30 -1.29 2.96 -0.53 -2.72 118.68 113.51 1rdu s LEU 66 Ca 0.15 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1rdu s LEU 66 Cb 0.07 1.83 0.09 0.00 0.50 0.00 0.00 46.19 48.68 1rdu s LEU 66 CO -0.06 -0.36 0.04 -0.63 -1.32 0.00 0.00 176.35 174.02 1rdu s ILE 67 N -1.45 1.48 -0.30 6.68 1.01 -0.83 -0.48 121.20 127.31 1rdu s ILE 67 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.00 1rdu s ILE 67 Cb -0.01 -2.01 0.18 0.00 0.01 0.00 0.00 42.46 40.64 1rdu s ILE 67 CO -0.01 -0.49 0.59 0.00 0.00 0.00 0.00 174.94 175.03 1rdu s ALA 68 N 1.34 -2.16 0.52 9.38 0.00 0.75 -4.11 121.76 127.48 1rdu s ALA 68 Ca 0.06 1.84 0.37 0.00 0.00 0.00 0.00 51.96 54.22 1rdu s ALA 68 Cb -0.18 -2.10 1.53 0.00 0.00 0.00 0.00 23.12 22.37 1rdu s ALA 68 CO -0.14 -1.28 1.75 0.66 0.00 0.00 0.00 175.76 176.75 1rdu h SER 69 N 8.01 0.06 -0.75 0.00 4.64 -1.73 -3.37 113.55 120.42 1rdu h SER 69 Ca -0.22 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1rdu h SER 69 Cb 1.15 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rdu h SER 69 CO 0.24 -0.00 0.01 -3.20 -0.87 0.00 0.00 176.83 173.01 1rdu n ASN 70 N -4.22 -0.02 -3.77 4.97 2.85 -1.26 -4.82 115.26 108.99 1rdu n ASN 70 Ca 0.29 -1.01 -0.13 0.00 -0.11 0.00 0.00 54.58 53.62 1rdu n ASN 70 Cb 1.34 0.04 -0.14 0.00 1.24 0.00 0.00 39.78 42.27 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 -2.71 -0.03 0.19 3.44 0.11 -1.26 -1.03 120.40 119.10 1rdu s VAL 71 Ca 0.00 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1rdu s VAL 71 Cb -0.00 -0.24 0.12 0.00 -1.53 0.00 0.00 36.38 34.73 1rdu s VAL 71 CO 0.00 0.05 1.81 1.23 -3.33 0.00 0.00 175.10 174.85 1rdu h GLY 72 N 6.78 1.03 -4.07 6.54 0.00 -1.83 -3.44 103.07 108.07 1rdu h GLY 72 Ca -0.37 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.55 1rdu h GLY 72 CO 0.42 0.45 0.45 -1.60 0.00 0.00 0.00 176.54 176.26 1rdu s ARG 73 N -5.84 0.77 1.41 4.80 3.52 -1.26 -4.76 118.95 117.59 1rdu s ARG 73 Ca -0.13 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 1rdu s ARG 73 Cb 0.14 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.89 1rdu s ARG 73 CO 0.79 -0.27 0.00 -1.71 -0.81 0.00 0.00 175.30 173.30 1rdu n ASN 74 N 0.53 0.00 0.00 -2.12 2.85 -1.26 -4.72 115.26 110.54 1rdu n ASN 74 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1rdu n ASN 74 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 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 5.14 0.00 -0.35 5.20 0.00 -1.26 -4.56 120.51 124.68 1rdu n ALA 75 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1rdu n ALA 75 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.75 0.00 3.57 -1.97 -0.60 116.94 118.29 1rdu h PHE 76 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1rdu h PHE 76 Cb 0.00 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 1rdu h PHE 76 CO 0.00 0.52 0.30 0.93 -2.23 0.00 0.00 178.31 177.83 1rdu h GLU 77 N 1.04 1.11 0.00 1.11 5.08 -1.99 -2.28 114.58 118.66 1rdu h GLU 77 Ca 0.43 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1rdu h GLU 77 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rdu h GLU 77 CO -0.20 0.91 -0.27 1.15 -1.00 0.00 0.00 179.01 179.59 1rdu h THR 78 N 1.07 0.92 0.49 1.13 2.02 -1.60 -0.14 112.91 116.81 1rdu h THR 78 Ca 0.25 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1rdu h THR 78 Cb 0.21 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1rdu h THR 78 CO -0.02 0.27 -0.24 -0.07 0.37 0.00 0.00 175.52 175.83 1rdu h LEU 79 N 0.00 -0.56 -2.06 2.58 3.38 -0.59 -3.09 115.31 114.97 1rdu h LEU 79 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1rdu h LEU 79 Cb 0.59 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1rdu h LEU 79 CO 0.04 -0.20 -0.06 0.07 0.09 0.00 0.00 178.44 178.38 1rdu h LYS 80 N -1.07 0.00 -0.93 1.13 2.10 -1.46 -0.50 116.57 115.83 1rdu h LYS 80 Ca -0.07 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.71 1rdu h LYS 80 Cb 0.51 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.75 1rdu h LYS 80 CO 0.11 0.06 0.56 0.00 -2.00 0.00 0.00 179.45 178.18 1rdu h ALA 81 N 1.94 1.41 -0.99 0.07 0.00 -1.02 -0.62 119.26 120.04 1rdu h ALA 81 Ca -0.00 0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.34 1rdu h ALA 81 Cb 0.13 -0.14 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 1rdu h ALA 81 CO 0.01 0.11 0.79 0.00 0.00 0.00 0.00 179.25 180.15 1rdu n ALA 82 N -2.37 6.03 -1.21 0.00 0.00 -0.45 -4.92 120.51 117.59 1rdu n ALA 82 Ca 0.18 -3.22 -0.09 0.00 0.00 0.00 0.00 53.44 50.31 1rdu n ALA 82 Cb 0.38 -1.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.00 0.82 3.66 0.00 0.00 -0.24 -4.89 105.19 103.54 1rdu n GLY 83 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.69 4.63 -0.32 1.61 1.01 -0.33 -4.90 120.40 120.42 1rdu s VAL 84 Ca 0.00 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 63.67 1rdu s VAL 84 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1rdu s VAL 84 CO 0.00 -0.17 1.06 -0.75 0.00 0.00 0.00 175.10 175.23 1rdu s LYS 85 N 3.23 4.06 -0.20 2.72 2.20 -1.23 -4.30 119.74 126.22 1rdu s LYS 85 Ca 0.45 1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 56.99 1rdu s LYS 85 Cb -0.16 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 1rdu s LYS 85 CO 0.07 -0.89 0.16 0.08 -0.36 0.00 0.00 175.35 174.41 1rdu s VAL 86 N 3.62 5.38 0.21 4.02 1.01 -1.26 -1.46 120.40 131.92 1rdu s VAL 86 Ca 0.45 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1rdu s VAL 86 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1rdu s VAL 86 CO 0.15 0.42 0.32 -0.31 0.00 0.00 0.00 175.10 175.68 1rdu s TYR 87 N 0.49 3.45 0.70 5.22 1.51 0.37 -0.48 117.35 128.60 1rdu s TYR 87 Ca 0.09 0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 1rdu s TYR 87 Cb -0.12 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1rdu s TYR 87 CO -0.00 0.47 1.09 0.50 -1.11 0.00 0.00 175.55 176.50 1rdu s ARG 88 N -3.70 2.94 0.21 -0.62 6.06 0.64 -0.18 118.95 124.30 1rdu s ARG 88 Ca 0.34 0.53 -0.01 0.00 -2.50 0.00 0.00 55.73 54.09 1rdu s ARG 88 Cb -0.10 -2.02 -0.04 0.00 0.06 0.00 0.00 34.95 32.85 1rdu s ARG 88 CO 0.29 -0.99 0.12 -0.59 -2.50 0.00 0.00 175.30 171.63 1rdu s PHE 89 N -3.31 1.20 -0.45 5.12 -0.71 -1.26 -4.26 117.98 114.31 1rdu s PHE 89 Ca 0.58 -1.35 0.07 0.00 -1.04 0.00 0.00 56.93 55.18 1rdu s PHE 89 Cb -0.11 -0.60 0.27 0.00 -1.21 0.00 0.00 43.02 41.37 1rdu s PHE 89 CO 0.52 -0.60 0.83 -1.91 -1.34 0.00 0.00 175.22 172.72 1rdu n GLU 90 N -0.29 0.82 0.00 1.99 2.13 -1.26 -4.08 120.64 119.95 1rdu n GLU 90 Ca 0.02 -2.27 0.00 0.00 0.66 0.00 0.00 57.16 55.57 1rdu n GLU 90 Cb 0.66 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 31.02 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 1.25 1.03 3.59 8.31 0.00 -1.26 -5.17 105.19 112.94 1rdu n GLY 91 Ca 0.13 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.43 1rdu n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rdu s GLY 92 N 0.00 -0.44 0.79 -0.02 0.00 -1.26 -5.05 107.32 101.34 1rdu s GLY 92 Ca 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 1rdu s GLY 92 CO 0.00 0.20 1.09 -0.51 0.00 0.00 0.00 173.10 173.88 1rdu s THR 93 N -2.21 2.13 0.29 0.90 -4.23 -1.26 -1.66 115.64 109.60 1rdu s THR 93 Ca 0.14 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 1rdu s THR 93 Cb 0.06 -2.76 0.30 0.00 1.34 0.00 0.00 72.50 71.44 1rdu s THR 93 CO -0.05 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.27 1rdu h VAL 94 N -0.86 0.37 -0.14 2.29 2.07 -0.64 -0.43 116.25 118.90 1rdu h VAL 94 Ca -0.40 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1rdu h VAL 94 Cb 1.26 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1rdu h VAL 94 CO 0.43 0.05 -0.29 -0.61 0.02 0.00 0.00 177.57 177.17 1rdu h GLN 95 N 0.27 0.26 -0.19 1.57 4.15 -1.37 -3.13 115.11 116.66 1rdu h GLN 95 Ca 0.56 -0.09 -0.19 0.00 0.77 0.00 0.00 58.65 59.69 1rdu h GLN 95 Cb 1.11 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.79 1rdu h GLN 95 CO -0.61 0.53 -0.62 0.93 -1.93 0.00 0.00 178.83 177.12 1rdu h GLU 96 N 0.23 0.76 -0.96 1.69 4.39 -1.39 0.69 114.58 119.99 1rdu h GLU 96 Ca 0.03 -0.56 0.27 0.00 0.34 0.00 0.00 59.36 59.44 1rdu h GLU 96 Cb 0.63 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.24 1rdu h GLU 96 CO 0.05 1.18 0.46 0.00 -1.16 0.00 0.00 179.01 179.54 1rdu h ALA 97 N 0.58 1.68 0.00 3.43 0.00 -1.40 0.20 119.26 123.75 1rdu h ALA 97 Ca -0.02 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1rdu h ALA 97 Cb 1.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1rdu h ALA 97 CO 0.13 -0.47 -0.20 0.82 0.00 0.00 0.00 179.25 179.53 1rdu h ILE 98 N 0.34 1.43 0.00 0.00 1.08 -1.38 -1.20 117.51 117.78 1rdu h ILE 98 Ca 0.65 -2.14 -0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1rdu h ILE 98 Cb 1.38 2.77 -0.00 0.00 -3.07 0.00 0.00 36.82 37.90 1rdu h ILE 98 CO -0.59 0.48 -0.01 0.44 -0.69 0.00 0.00 178.15 177.78 1rdu h ASP 99 N -1.00 0.00 0.00 1.72 5.19 -0.66 0.44 116.42 122.11 1rdu h ASP 99 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1rdu h ASP 99 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1rdu h ASP 99 CO -0.03 0.01 -0.02 0.00 -3.12 0.00 0.00 179.24 176.08 1rdu h ALA 100 N 1.99 0.00 -0.67 3.45 0.00 -0.66 -3.31 119.26 120.05 1rdu h ALA 100 Ca -0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rdu h ALA 100 Cb 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1rdu h ALA 100 CO 0.00 0.02 0.36 0.35 0.00 0.00 0.00 179.25 179.98 1rdu h PHE 101 N -0.77 0.65 0.15 0.00 3.57 -0.54 0.25 116.94 120.26 1rdu h PHE 101 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1rdu h PHE 101 Cb 0.02 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1rdu h PHE 101 CO -0.01 0.29 -0.07 0.66 -2.23 0.00 0.00 178.31 176.94 1rdu h SER 102 N 0.64 -0.17 -0.32 0.41 4.64 -0.35 -2.24 113.55 116.17 1rdu h SER 102 Ca 0.31 -0.14 -0.20 0.00 -0.47 0.00 0.00 61.79 61.29 1rdu h SER 102 Cb 0.25 0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 1rdu h SER 102 CO -0.21 0.04 0.25 -0.62 -0.87 0.00 0.00 176.83 175.42 1rdu n GLU 103 N -5.10 1.49 -0.89 4.77 -0.58 -1.12 -4.84 120.64 114.36 1rdu n GLU 103 Ca -0.09 -1.02 -0.02 0.00 -0.42 0.00 0.00 57.16 55.62 1rdu n GLU 103 Cb 0.17 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.45 0.17 1.52 0.62 0.00 -0.84 -4.88 105.19 102.24 1rdu n GLY 104 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.51 1.37 -4.27 1.61 1.74 0.85 -4.87 116.66 113.61 1rdu n ARG 105 Ca -0.02 -0.79 -0.14 0.00 -0.77 0.00 0.00 57.85 56.12 1rdu n ARG 105 Cb 0.43 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.90 1.79 -0.07 0.55 1.43 -1.26 -4.80 118.68 115.42 1rdu s LEU 106 Ca 0.15 -1.29 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 1rdu s LEU 106 Cb 0.12 0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1rdu s LEU 106 CO 0.01 -0.68 -0.07 -1.61 0.23 0.00 0.00 176.35 174.24 1rdu s GLU 107 N -4.00 2.76 -0.80 1.70 2.02 -1.26 -4.96 118.70 114.17 1rdu s GLU 107 Ca 0.31 -0.54 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 1rdu s GLU 107 Cb 0.07 -2.60 0.07 0.00 0.10 0.00 0.00 34.13 31.77 1rdu s GLU 107 CO 0.09 0.66 1.15 -2.00 0.02 0.00 0.00 175.26 175.18 1rdu s GLU 108 N -0.81 3.32 -0.03 1.61 2.12 -1.26 -0.26 118.70 123.39 1rdu s GLU 108 Ca 0.12 -0.97 -0.00 0.00 0.36 0.00 0.00 54.97 54.48 1rdu s GLU 108 Cb -0.11 -4.57 0.02 0.00 0.26 0.00 0.00 34.13 29.73 1rdu s GLU 108 CO 0.01 -1.94 1.88 -0.11 -0.54 0.00 0.00 175.26 174.57 1rdu n LEU 109 N 7.98 5.16 -1.93 2.70 7.94 0.37 -4.62 117.00 134.60 1rdu n LEU 109 Ca 0.10 -2.37 -0.19 0.00 -1.11 0.00 0.00 56.01 52.43 1rdu n LEU 109 Cb 0.48 -1.05 0.06 0.00 0.53 0.00 0.00 43.42 43.44 1rdu n LEU 109 CO 0.63 0.97 1.20 0.35 -1.11 0.00 0.00 177.39 179.42 1rdu n THR 110 N 1.28 2.81 -2.54 1.96 -2.24 -1.25 -3.87 114.28 110.43 1rdu n THR 110 Ca 0.03 -1.74 -0.01 0.00 -2.27 0.00 0.00 64.05 60.05 1rdu n THR 110 Cb 0.51 -1.15 0.02 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.07 0.00 -4.09 4.28 5.66 -1.26 -5.08 114.28 113.72 1rdu n THR 111 Ca 0.37 -0.24 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1rdu n THR 111 Cb 0.75 0.60 -0.13 0.00 -1.55 0.00 0.00 70.33 69.99 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 0.03 0.44 -0.35 1.09 0.40 -1.25 -5.12 117.98 113.22 1rdu s PHE 112 Ca 0.02 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1rdu s PHE 112 Cb 0.09 -0.28 0.17 0.00 0.51 0.00 0.00 43.02 43.51 1rdu s PHE 112 CO -0.02 -0.04 0.52 0.95 0.70 0.00 0.00 175.22 177.33 1rdu s THR 113 N -0.50 -0.78 -0.25 0.64 -4.23 -1.26 -5.05 115.64 104.21 1rdu s THR 113 Ca -0.02 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1rdu s THR 113 Cb -0.04 -0.58 0.13 0.00 1.34 0.00 0.00 72.50 73.36 1rdu s THR 113 CO -0.00 -0.18 0.49 -0.60 -0.54 0.00 0.00 174.62 173.79 1rdu s ARG 114 N 2.13 0.43 -1.00 3.99 3.00 -1.26 -5.09 118.95 121.16 1rdu s ARG 114 Ca 0.13 0.95 -0.23 0.00 -1.00 0.00 0.00 55.73 55.58 1rdu s ARG 114 Cb -0.09 0.24 0.05 0.00 0.00 0.00 0.00 34.95 35.14 1rdu s ARG 114 CO -0.16 -0.45 1.45 -2.00 0.00 0.00 0.00 175.30 174.14 1rdu s GLU 115 N 2.70 3.54 0.00 5.12 2.12 -1.26 -4.76 118.70 126.17 1rdu s GLU 115 Ca 0.08 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1rdu s GLU 115 Cb -0.14 -5.29 0.00 0.00 0.26 0.00 0.00 34.13 28.96 1rdu s GLU 115 CO -0.17 -2.23 0.00 0.41 -0.54 0.00 0.00 175.26 172.73