#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 0.32 -0.35 3.17 0.00 -1.26 -4.98 121.76 118.66 1rdu s ALA 2 Ca 0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1rdu s ALA 2 Cb 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1rdu s ALA 2 CO 0.00 -1.97 1.17 1.03 0.00 0.00 0.00 175.76 175.99 1rdu s ARG 3 N 1.56 3.93 -0.13 0.00 0.52 -1.26 -3.84 118.95 119.72 1rdu s ARG 3 Ca 0.15 1.01 -0.10 0.00 -0.52 0.00 0.00 55.73 56.27 1rdu s ARG 3 Cb -0.18 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 1rdu s ARG 3 CO -0.13 -1.09 0.19 0.54 0.02 0.00 0.00 175.30 174.83 1rdu s VAL 4 N 4.10 5.40 -0.47 3.52 0.11 -0.63 -2.76 120.40 129.67 1rdu s VAL 4 Ca 0.50 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 1rdu s VAL 4 Cb -0.12 -3.48 0.12 0.00 -1.53 0.00 0.00 36.38 31.37 1rdu s VAL 4 CO 0.22 0.54 0.23 0.00 -3.33 0.00 0.00 175.10 172.76 1rdu s ALA 5 N -0.50 3.22 0.00 1.54 0.00 -0.86 -1.13 121.76 124.04 1rdu s ALA 5 Ca 0.14 -2.86 -0.26 0.00 0.00 0.00 0.00 51.96 48.98 1rdu s ALA 5 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1rdu s ALA 5 CO 0.04 -1.89 0.81 0.42 0.00 0.00 0.00 175.76 175.13 1rdu s ILE 6 N 0.49 4.85 0.21 0.00 1.09 0.06 -4.19 121.20 123.71 1rdu s ILE 6 Ca 0.13 1.70 -0.30 0.00 -1.10 0.00 0.00 60.65 61.08 1rdu s ILE 6 Cb -0.22 -4.15 -0.08 0.00 -1.06 0.00 0.00 42.46 36.95 1rdu s ILE 6 CO -0.04 0.28 1.15 -2.16 -0.10 0.00 0.00 174.94 174.07 1rdu s PRO 7 N 0.46 4.55 0.16 2.79 0.04 -1.26 -0.84 135.00 140.91 1rdu s PRO 7 Ca 0.42 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 1rdu s PRO 7 Cb -0.20 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1rdu s PRO 7 CO 0.23 0.02 0.05 0.45 0.04 0.00 0.00 177.00 177.79 1rdu s SER 8 N -0.18 0.62 -0.28 6.66 0.15 0.52 -3.15 113.70 118.04 1rdu s SER 8 Ca 0.50 -1.24 0.09 0.00 0.70 0.00 0.00 55.95 56.00 1rdu s SER 8 Cb -0.32 0.24 0.46 0.00 -1.71 0.00 0.00 66.02 64.70 1rdu s SER 8 CO 0.38 -0.70 1.19 1.33 1.20 0.00 0.00 173.24 176.63 1rdu n VAL 9 N -0.19 2.39 -3.66 4.45 0.24 -0.49 -1.78 118.33 119.30 1rdu n VAL 9 Ca -0.04 -4.02 -0.03 0.00 -2.04 0.00 0.00 64.34 58.20 1rdu n VAL 9 Cb 0.64 -0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 32.13 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 -3.58 -0.33 -0.46 7.63 0.00 -1.26 -4.76 107.32 104.56 1rdu s GLY 10 Ca 0.48 0.60 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 1rdu s GLY 10 CO 0.02 0.15 2.16 0.28 0.00 0.00 0.00 173.10 175.72 1rdu n LYS 11 N -0.40 2.19 -3.78 2.90 5.02 -1.26 -4.78 118.16 118.05 1rdu n LYS 11 Ca -0.07 -2.25 -0.13 0.00 -2.02 0.00 0.00 58.31 53.84 1rdu n LYS 11 Cb 0.61 -1.92 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.36 -0.16 0.10 4.39 1.01 -1.26 -5.05 116.67 115.34 1rdu s ASP 12 Ca 0.46 0.04 0.21 0.00 0.71 0.00 0.00 52.55 53.97 1rdu s ASP 12 Cb 0.35 0.30 0.86 0.00 1.01 0.00 0.00 42.92 45.43 1rdu s ASP 12 CO -0.07 -0.44 1.66 -0.11 0.21 0.00 0.00 175.17 176.42 1rdu n LEU 13 N 1.30 0.30 -1.68 1.23 -0.00 -1.26 -1.58 117.00 115.32 1rdu n LEU 13 Ca -0.22 0.56 -0.17 0.00 -0.00 0.00 0.00 56.01 56.18 1rdu n LEU 13 Cb 0.56 -0.50 0.11 0.00 -0.00 0.00 0.00 43.42 43.59 1rdu n LEU 13 CO 0.22 -0.29 0.59 -1.54 -0.00 0.00 0.00 177.39 176.37 1rdu n SER 14 N -1.82 4.31 -4.93 1.96 3.41 -1.26 -1.59 113.62 113.69 1rdu n SER 14 Ca 0.04 -3.79 -0.25 0.00 -0.26 0.00 0.00 58.87 54.61 1rdu n SER 14 Cb 0.25 -0.57 0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.91 4.91 0.11 4.04 0.01 -0.61 -4.73 113.70 114.53 1rdu s SER 15 Ca 0.50 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 1rdu s SER 15 Cb 0.42 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.47 1rdu s SER 15 CO 0.01 -1.52 1.01 -0.04 0.41 0.00 0.00 173.24 173.12 1rdu s MET 16 N -5.18 4.64 0.02 12.44 -1.94 -1.26 -0.35 119.30 127.67 1rdu s MET 16 Ca 0.59 1.54 -0.30 0.00 -1.71 0.00 0.00 55.69 55.81 1rdu s MET 16 Cb -0.11 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1rdu s MET 16 CO 0.44 0.12 1.02 0.08 -0.01 0.00 0.00 175.02 176.68 1rdu s VAL 17 N 0.10 4.69 0.50 -6.03 1.01 -0.69 -1.39 120.40 118.59 1rdu s VAL 17 Ca 0.49 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 64.24 1rdu s VAL 17 Cb -0.25 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1rdu s VAL 17 CO 0.31 0.16 0.98 -0.55 0.00 0.00 0.00 175.10 176.00 1rdu s SER 18 N 0.98 6.65 -0.54 3.32 0.15 -1.19 -4.78 113.70 118.29 1rdu s SER 18 Ca 0.53 1.59 -0.00 0.00 0.70 0.00 0.00 55.95 58.77 1rdu s SER 18 Cb -0.23 -2.51 0.46 0.00 -1.71 0.00 0.00 66.02 62.03 1rdu s SER 18 CO 0.28 -0.56 1.98 0.47 1.20 0.00 0.00 173.24 176.60 1rdu n ASP 19 N -1.47 6.39 -3.14 5.45 8.00 -1.26 -4.65 116.55 125.87 1rdu n ASP 19 Ca 0.07 -3.59 0.05 0.00 0.71 0.00 0.00 54.79 52.02 1rdu n ASP 19 Cb 0.54 -0.94 -0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.30 0.36 0.06 -1.24 1.70 -1.26 -4.31 118.95 110.96 1rdu s ARG 20 Ca 0.56 0.31 -0.18 0.00 -0.47 0.00 0.00 55.73 55.95 1rdu s ARG 20 Cb 0.45 0.15 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 1rdu s ARG 20 CO 0.02 -0.66 1.29 0.35 -1.08 0.00 0.00 175.30 175.23 1rdu h PHE 21 N 7.54 -0.85 -0.22 5.89 3.57 -1.51 -1.88 116.94 129.47 1rdu h PHE 21 Ca -0.05 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1rdu h PHE 21 Cb 1.18 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 40.26 1rdu h PHE 21 CO 0.06 -0.30 0.08 0.00 -2.23 0.00 0.00 178.31 175.92 1rdu n ALA 22 N -2.78 3.13 -2.70 2.41 0.00 -1.26 -2.52 120.51 116.78 1rdu n ALA 22 Ca -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 1rdu n ALA 22 Cb 0.21 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 0.11 1.90 -4.86 0.00 5.12 -0.72 -4.73 116.66 113.48 1rdu n ARG 23 Ca 0.12 -3.52 -0.33 0.00 -1.93 0.00 0.00 57.85 52.19 1rdu n ARG 23 Cb 0.67 -1.62 -0.14 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.59 2.58 -0.03 7.54 0.00 -1.05 -4.82 121.76 122.40 1rdu s ALA 24 Ca 0.31 -0.92 0.14 0.00 0.00 0.00 0.00 51.96 51.49 1rdu s ALA 24 Cb 0.34 -1.10 0.15 0.00 0.00 0.00 0.00 23.12 22.50 1rdu s ALA 24 CO -0.04 0.34 1.48 0.93 0.00 0.00 0.00 175.76 178.47 1rdu h GLU 25 N 6.32 0.00 -4.61 0.00 5.08 -1.52 -3.43 114.58 116.42 1rdu h GLU 25 Ca -0.31 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.75 1rdu h GLU 25 Cb 1.20 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 1rdu h GLU 25 CO 0.53 0.57 -0.74 0.71 -1.00 0.00 0.00 179.01 179.08 1rdu s TYR 26 N -3.06 0.70 -0.11 4.33 2.02 -0.73 -1.05 117.35 119.45 1rdu s TYR 26 Ca 0.03 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1rdu s TYR 26 Cb 0.09 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.24 1rdu s TYR 26 CO 0.75 -0.06 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.47 1rdu s PHE 27 N -1.15 1.89 -0.37 2.71 0.08 -0.18 -0.36 117.98 120.60 1rdu s PHE 27 Ca -0.07 -0.88 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 1rdu s PHE 27 Cb -0.09 -1.38 0.08 0.00 -0.57 0.00 0.00 43.02 41.07 1rdu s PHE 27 CO 0.00 -0.46 0.14 0.42 -0.10 0.00 0.00 175.22 175.22 1rdu s ILE 28 N 1.02 3.34 -0.67 0.64 -1.09 -0.02 -0.63 121.20 123.80 1rdu s ILE 28 Ca -0.06 -1.69 -0.19 0.00 -2.23 0.00 0.00 60.65 56.47 1rdu s ILE 28 Cb -0.15 -3.12 0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1rdu s ILE 28 CO -0.02 -0.44 0.83 -0.63 -1.23 0.00 0.00 174.94 173.45 1rdu s ILE 29 N 1.23 4.75 -0.28 2.92 1.01 -0.37 -0.76 121.20 129.69 1rdu s ILE 29 Ca 0.03 -1.04 -0.27 0.00 0.00 0.00 0.00 60.65 59.36 1rdu s ILE 29 Cb -0.22 -4.58 0.01 0.00 0.01 0.00 0.00 42.46 37.69 1rdu s ILE 29 CO -0.02 -1.25 0.99 -0.47 0.00 0.00 0.00 174.94 174.18 1rdu s TYR 30 N 2.83 3.23 -0.27 3.97 5.04 -0.28 -2.88 117.35 128.99 1rdu s TYR 30 Ca 0.17 1.20 -0.28 0.00 -2.44 0.00 0.00 57.07 55.72 1rdu s TYR 30 Cb -0.19 -3.42 0.01 0.00 0.35 0.00 0.00 41.96 38.72 1rdu s TYR 30 CO 0.04 -0.61 1.02 -0.51 -1.34 0.00 0.00 175.55 174.15 1rdu s ASP 31 N 1.49 6.98 -0.21 4.32 1.01 0.15 -1.61 116.67 128.79 1rdu s ASP 31 Ca 0.41 1.17 0.03 0.00 0.71 0.00 0.00 52.55 54.87 1rdu s ASP 31 Cb -0.14 -2.52 0.36 0.00 1.01 0.00 0.00 42.92 41.63 1rdu s ASP 31 CO 0.11 -0.74 1.41 0.35 0.21 0.00 0.00 175.17 176.52 1rdu n THR 32 N 5.55 2.00 0.00 -1.27 -2.24 -1.25 -2.49 114.28 114.59 1rdu n THR 32 Ca 0.11 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1rdu n THR 32 Cb 0.47 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.22 0.00 -1.02 -0.78 1.02 -1.26 -4.59 120.64 113.79 1rdu n GLU 33 Ca 0.28 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.20 1rdu n GLU 33 Cb 1.04 -0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.55 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 -0.44 5.48 -2.58 1.62 7.64 -1.24 -4.79 113.62 119.30 1rdu n SER 34 Ca 0.00 -3.32 -0.16 0.00 1.01 0.00 0.00 58.87 56.41 1rdu n SER 34 Cb 0.00 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 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 -0.49 -0.17 3.76 0.23 0.00 -1.04 -4.92 105.19 102.57 1rdu n GLY 35 Ca 0.46 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.79 4.90 0.31 1.61 0.02 -1.23 -4.82 114.94 113.94 1rdu s ASN 36 Ca 0.30 2.02 0.03 0.00 -1.02 0.00 0.00 52.86 54.20 1rdu s ASN 36 Cb -0.18 -2.55 -0.06 0.00 0.02 0.00 0.00 41.25 38.48 1rdu s ASN 36 CO 0.37 -1.77 0.07 -0.69 0.02 0.00 0.00 177.10 175.10 1rdu s VAL 37 N -2.36 1.08 -0.20 1.60 1.01 -1.26 -0.68 120.40 119.59 1rdu s VAL 37 Ca 0.67 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 1rdu s VAL 37 Cb -0.21 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.46 1rdu s VAL 37 CO 0.44 0.00 0.56 -0.70 0.00 0.00 0.00 175.10 175.40 1rdu s GLU 38 N -3.91 0.67 -0.34 2.72 2.56 -1.14 -4.94 118.70 114.33 1rdu s GLU 38 Ca 0.37 0.73 -0.04 0.00 0.00 0.00 0.00 54.97 56.03 1rdu s GLU 38 Cb 0.09 0.33 0.06 0.00 2.00 0.00 0.00 34.13 36.60 1rdu s GLU 38 CO 0.15 -0.09 0.08 0.08 -0.56 0.00 0.00 175.26 174.92 1rdu s VAL 39 N 0.19 3.32 0.35 3.70 1.01 -1.26 -1.23 120.40 126.47 1rdu s VAL 39 Ca -0.01 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 1rdu s VAL 39 Cb -0.04 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 1rdu s VAL 39 CO 0.01 -0.25 0.95 -0.69 0.00 0.00 0.00 175.10 175.12 1rdu s VAL 40 N 1.28 4.23 -0.12 2.92 1.01 0.20 -4.94 120.40 124.98 1rdu s VAL 40 Ca -0.01 1.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 1rdu s VAL 40 Cb -0.20 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1rdu s VAL 40 CO -0.00 0.04 -0.05 -0.70 0.00 0.00 0.00 175.10 174.39 1rdu s GLU 41 N -2.30 3.33 -0.25 2.72 2.12 -1.26 -1.01 118.70 122.04 1rdu s GLU 41 Ca 0.53 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 55.30 1rdu s GLU 41 Cb -0.17 -2.80 0.14 0.00 0.26 0.00 0.00 34.13 31.56 1rdu s GLU 41 CO 0.22 0.41 0.45 1.21 -0.54 0.00 0.00 175.26 177.01 1rdu s ASN 42 N -0.11 -0.30 -0.58 -1.70 3.84 -0.22 -4.95 114.94 110.92 1rdu s ASN 42 Ca 0.02 0.58 0.04 0.00 0.21 0.00 0.00 52.86 53.72 1rdu s ASN 42 Cb -0.13 1.46 0.37 0.00 -0.55 0.00 0.00 41.25 42.40 1rdu s ASN 42 CO 0.03 -0.27 1.15 0.35 -2.79 0.00 0.00 177.10 175.56 1rdu n THR 43 N 5.39 3.10 -2.49 -5.21 -2.24 -1.26 -4.13 114.28 107.44 1rdu n THR 43 Ca -0.04 -5.29 -0.41 0.00 -2.27 0.00 0.00 64.05 56.04 1rdu n THR 43 Cb 0.50 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 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 -4.91 3.69 -0.28 2.28 -0.00 -1.26 -4.85 121.20 115.87 1rdu s ILE 44 Ca 0.48 0.33 0.12 0.00 -0.00 0.00 0.00 60.65 61.57 1rdu s ILE 44 Cb 0.33 -4.81 0.47 0.00 -0.00 0.00 0.00 42.46 38.45 1rdu s ILE 44 CO -0.18 -1.75 1.17 0.00 -0.00 0.00 0.00 174.94 174.18 1rdu n ALA 45 N 9.76 4.26 -3.55 2.27 0.00 -1.26 -4.89 120.51 127.09 1rdu n ALA 45 Ca 0.07 -3.47 -0.17 0.00 0.00 0.00 0.00 53.44 49.87 1rdu n ALA 45 Cb 0.49 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.63 -0.69 -0.47 0.00 2.15 -1.26 -5.10 116.67 107.67 1rdu s ASP 46 Ca 0.44 0.95 0.03 0.00 0.43 0.00 0.00 52.55 54.40 1rdu s ASP 46 Cb 0.38 0.84 0.47 0.00 -0.30 0.00 0.00 42.92 44.31 1rdu s ASP 46 CO 0.01 -0.49 1.64 0.00 -0.17 0.00 0.00 175.17 176.16 1rdu n ALA 47 N 1.48 5.56 -3.55 3.66 0.00 -1.26 -4.81 120.51 121.60 1rdu n ALA 47 Ca -0.17 -3.53 -0.27 0.00 0.00 0.00 0.00 53.44 49.47 1rdu n ALA 47 Cb 0.56 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.88 1.07 -3.87 0.00 8.25 -1.26 -5.05 115.22 113.47 1rdu n HIS 48 Ca 0.52 -3.78 -0.30 0.00 -0.26 0.00 0.00 57.72 53.90 1rdu n HIS 48 Cb 0.88 -0.20 -0.15 0.00 1.12 0.00 0.00 29.99 31.63 1rdu n HIS 48 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1rdu s GLY 49 N -0.88 1.36 0.06 -1.41 0.00 -1.26 -4.98 107.32 100.20 1rdu s GLY 49 Ca 0.31 -1.77 0.28 0.00 0.00 0.00 0.00 44.72 43.54 1rdu s GLY 49 CO -0.16 1.21 1.87 -0.37 0.00 0.00 0.00 173.10 175.65 1rdu n THR 50 N 4.64 0.16 -4.07 0.90 5.66 -1.26 -4.88 114.28 115.44 1rdu n THR 50 Ca -0.04 -0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.78 1rdu n THR 50 Cb 0.43 -0.49 -0.08 0.00 -1.55 0.00 0.00 70.33 68.64 1rdu n THR 50 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1rdu s GLY 51 N -3.16 0.85 0.17 1.09 0.00 -1.26 -5.09 107.32 99.91 1rdu s GLY 51 Ca 0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1rdu s GLY 51 CO 0.56 -1.01 1.41 -0.56 0.00 0.00 0.00 173.10 173.50 1rdu h PRO 52 N 2.52 0.46 0.00 2.90 0.13 -1.98 -3.46 132.00 132.56 1rdu h PRO 52 Ca -0.32 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1rdu h PRO 52 Cb 1.24 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1rdu h PRO 52 CO 0.47 1.01 0.00 1.17 -0.23 0.00 0.00 178.00 180.42 1rdu n LYS 53 N -3.85 0.00 0.26 0.86 4.81 -1.26 -3.67 118.16 115.31 1rdu n LYS 53 Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 1rdu n LYS 53 Cb 0.71 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.68 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 0.00 -0.52 3.15 3.04 -1.99 -2.67 116.25 117.25 1rdu h VAL 54 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1rdu h VAL 54 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 1rdu h VAL 54 CO 0.00 0.00 0.28 0.58 -1.01 0.00 0.00 177.57 177.42 1rdu h VAL 55 N -0.86 0.98 -0.65 1.51 2.07 -1.97 -1.42 116.25 115.90 1rdu h VAL 55 Ca -0.06 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1rdu h VAL 55 Cb 0.74 0.39 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 1rdu h VAL 55 CO -0.03 0.10 -0.32 1.56 0.02 0.00 0.00 177.57 178.90 1rdu h GLN 56 N 0.54 -0.12 -0.29 1.57 1.08 -1.80 0.76 115.11 116.84 1rdu h GLN 56 Ca 0.23 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.38 1rdu h GLN 56 Cb 0.11 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1rdu h GLN 56 CO -0.14 -0.08 -0.05 1.03 -0.95 0.00 0.00 178.83 178.64 1rdu h SER 57 N -0.13 0.54 -0.49 1.46 0.87 -0.95 -1.25 113.55 113.60 1rdu h SER 57 Ca 0.26 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 1rdu h SER 57 Cb 0.55 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1rdu h SER 57 CO -0.72 0.76 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.22 1rdu h LEU 58 N 0.31 0.90 -1.51 2.23 3.38 -0.67 -1.75 115.31 118.21 1rdu h LEU 58 Ca 0.08 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1rdu h LEU 58 Cb 0.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rdu h LEU 58 CO 0.02 1.02 0.19 0.58 0.09 0.00 0.00 178.44 180.35 1rdu h VAL 59 N 0.77 1.13 0.00 1.22 2.07 -0.87 -0.05 116.25 120.51 1rdu h VAL 59 Ca 0.13 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rdu h VAL 59 Cb 0.59 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1rdu h VAL 59 CO 0.04 0.14 0.00 0.28 0.02 0.00 0.00 177.57 178.05 1rdu h SER 60 N 0.53 0.00 -0.90 0.57 0.02 -0.33 -1.84 113.55 111.59 1rdu h SER 60 Ca 0.14 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.50 1rdu h SER 60 Cb 0.04 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.28 1rdu h SER 60 CO -0.02 0.00 0.48 0.29 -1.14 0.00 0.00 176.83 176.44 1rdu n LYS 61 N -2.49 2.69 -3.25 3.45 5.02 -0.06 -4.95 118.16 118.57 1rdu n LYS 61 Ca 0.01 -3.38 -0.19 0.00 -2.02 0.00 0.00 58.31 52.73 1rdu n LYS 61 Cb 0.18 -2.23 -0.02 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 -0.94 -0.47 3.58 0.72 0.00 -0.69 -4.87 105.19 102.52 1rdu n GLY 62 Ca 0.57 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.65 3.83 -0.44 1.61 1.01 -1.02 -4.38 120.40 118.37 1rdu s VAL 63 Ca 0.32 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.10 1rdu s VAL 63 Cb -0.18 -4.39 0.51 0.00 0.00 0.00 0.00 36.38 32.32 1rdu s VAL 63 CO 0.40 -1.06 1.66 -0.62 0.00 0.00 0.00 175.10 175.48 1rdu n GLU 64 N 8.49 2.55 -3.57 2.72 1.02 -1.11 -4.63 120.64 126.12 1rdu n GLU 64 Ca 0.13 -3.41 -0.10 0.00 -0.02 0.00 0.00 57.16 53.77 1rdu n GLU 64 Cb 0.49 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 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 -3.52 -0.36 -0.20 -0.32 1.51 -1.14 -0.61 117.35 112.71 1rdu s TYR 65 Ca 0.54 0.56 -0.28 0.00 -1.01 0.00 0.00 57.07 56.89 1rdu s TYR 65 Cb 0.45 0.46 0.11 0.00 -0.11 0.00 0.00 41.96 42.88 1rdu s TYR 65 CO 0.02 -0.37 0.93 -1.17 -1.11 0.00 0.00 175.55 173.85 1rdu s LEU 66 N -1.35 -0.48 -0.33 -1.29 2.96 -0.60 -2.02 118.68 115.57 1rdu s LEU 66 Ca -0.01 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1rdu s LEU 66 Cb -0.01 2.03 0.10 0.00 0.50 0.00 0.00 46.19 48.82 1rdu s LEU 66 CO -0.00 -0.30 0.07 -0.63 -1.32 0.00 0.00 176.35 174.17 1rdu s ILE 67 N -0.44 1.66 -0.35 6.68 1.01 -1.26 -0.49 121.20 128.02 1rdu s ILE 67 Ca -0.01 -1.93 0.05 0.00 0.00 0.00 0.00 60.65 58.76 1rdu s ILE 67 Cb -0.03 -2.24 0.19 0.00 0.01 0.00 0.00 42.46 40.39 1rdu s ILE 67 CO -0.00 -0.63 0.66 0.00 0.00 0.00 0.00 174.94 174.96 1rdu s ALA 68 N 1.21 -2.58 0.25 9.38 0.00 0.06 -4.07 121.76 126.01 1rdu s ALA 68 Ca 0.10 0.67 0.21 0.00 0.00 0.00 0.00 51.96 52.95 1rdu s ALA 68 Cb -0.18 -2.68 0.80 0.00 0.00 0.00 0.00 23.12 21.06 1rdu s ALA 68 CO -0.16 -2.07 0.75 -1.13 0.00 0.00 0.00 175.76 173.16 1rdu n SER 69 N 4.82 0.04 -1.93 0.00 3.41 -1.25 -4.59 113.62 114.12 1rdu n SER 69 Ca 0.08 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 59.21 1rdu n SER 69 Cb 0.56 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1rdu n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rdu n ASN 70 N -3.18 -1.02 -4.48 4.04 2.85 -1.26 -4.78 115.26 107.42 1rdu n ASN 70 Ca 0.21 -1.66 -0.26 0.00 -0.11 0.00 0.00 54.58 52.76 1rdu n ASN 70 Cb 0.90 1.69 -0.10 0.00 1.24 0.00 0.00 39.78 43.50 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 -2.49 2.64 0.51 3.44 0.11 -1.26 -1.43 120.40 121.92 1rdu s VAL 71 Ca 0.09 -2.08 0.29 0.00 -2.93 0.00 0.00 61.98 57.35 1rdu s VAL 71 Cb -0.02 -2.33 0.33 0.00 -1.53 0.00 0.00 36.38 32.83 1rdu s VAL 71 CO 0.05 -0.23 2.17 1.23 -3.33 0.00 0.00 175.10 174.99 1rdu h GLY 72 N 2.73 0.00 0.00 6.54 0.00 -1.85 -3.43 103.07 107.07 1rdu h GLY 72 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1rdu h GLY 72 CO 0.54 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.62 1rdu n ARG 73 N -3.75 0.00 -1.66 4.80 1.74 -1.26 -4.99 116.66 111.54 1rdu n ARG 73 Ca -0.02 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.60 1rdu n ARG 73 Cb 0.16 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.55 1rdu n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1rdu n ASN 74 N 0.00 3.68 0.00 0.55 2.85 -1.26 -3.58 115.26 117.49 1rdu n ASN 74 Ca 0.00 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 1rdu n ASN 74 Cb 0.00 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 39.58 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 7.46 0.00 -0.22 5.20 0.00 -1.26 -4.96 120.51 126.72 1rdu n ALA 75 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1rdu n ALA 75 Cb 0.35 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.21 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 0.70 -0.04 0.00 3.57 -2.00 0.23 116.94 119.40 1rdu h PHE 76 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1rdu h PHE 76 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1rdu h PHE 76 CO 0.00 0.28 -0.31 0.93 -2.23 0.00 0.00 178.31 176.98 1rdu h GLU 77 N 0.61 0.08 0.00 1.11 5.08 -1.95 -2.73 114.58 116.79 1rdu h GLU 77 Ca 0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1rdu h GLU 77 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1rdu h GLU 77 CO -0.16 0.38 -0.96 2.41 -1.00 0.00 0.00 179.01 179.68 1rdu n THR 78 N -4.15 0.21 0.07 1.13 -1.04 -0.06 -2.60 114.28 107.83 1rdu n THR 78 Ca -0.02 -0.26 -0.03 0.00 -2.04 0.00 0.00 64.05 61.71 1rdu n THR 78 Cb 0.37 0.13 -0.01 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.15 -1.93 -4.42 3.38 -0.89 -3.31 115.31 107.99 1rdu h LEU 79 Ca 0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.20 1rdu h LEU 79 Cb 0.74 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1rdu h LEU 79 CO 0.00 -0.07 0.56 0.07 0.09 0.00 0.00 178.44 179.09 1rdu h LYS 80 N -0.24 0.05 -0.97 1.13 2.10 -1.66 0.73 116.57 117.72 1rdu h LYS 80 Ca -0.02 -0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.91 1rdu h LYS 80 Cb 0.13 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.41 1rdu h LYS 80 CO 0.03 0.04 0.69 0.00 -2.00 0.00 0.00 179.45 178.21 1rdu h ALA 81 N 1.61 2.84 -0.71 0.07 0.00 -1.59 -0.53 119.26 120.97 1rdu h ALA 81 Ca 0.38 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.79 1rdu h ALA 81 Cb 1.43 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.99 1rdu h ALA 81 CO -0.03 -1.13 -0.11 0.00 0.00 0.00 0.00 179.25 177.98 1rdu n ALA 82 N -2.70 5.21 -1.31 0.00 0.00 0.24 -4.95 120.51 116.99 1rdu n ALA 82 Ca 0.20 -3.51 -0.11 0.00 0.00 0.00 0.00 53.44 50.03 1rdu n ALA 82 Cb 1.01 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.90 1.07 3.68 0.00 0.00 -0.20 -4.78 105.19 104.06 1rdu n GLY 83 Ca 0.47 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.04 4.74 0.57 1.61 1.01 -1.18 -4.85 120.40 120.27 1rdu s VAL 84 Ca 0.00 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.87 1rdu s VAL 84 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1rdu s VAL 84 CO 0.00 -0.07 1.01 -0.75 0.00 0.00 0.00 175.10 175.30 1rdu s LYS 85 N 2.47 3.67 -0.13 2.72 2.20 0.22 -4.29 119.74 126.60 1rdu s LYS 85 Ca 0.47 0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 1rdu s LYS 85 Cb -0.17 -2.09 0.04 0.00 -1.51 0.00 0.00 37.83 34.09 1rdu s LYS 85 CO 0.13 -0.50 0.33 0.08 -0.36 0.00 0.00 175.35 175.04 1rdu s VAL 86 N -2.82 -0.01 0.19 4.02 1.01 -1.26 -1.56 120.40 119.98 1rdu s VAL 86 Ca 0.58 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.68 1rdu s VAL 86 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1rdu s VAL 86 CO 0.41 0.01 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1rdu s TYR 87 N 0.37 2.09 0.42 5.22 1.51 0.36 -1.52 117.35 125.80 1rdu s TYR 87 Ca -0.02 -0.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 1rdu s TYR 87 Cb -0.04 -1.02 -0.10 0.00 -0.11 0.00 0.00 41.96 40.69 1rdu s TYR 87 CO -0.01 0.45 0.96 0.50 -1.11 0.00 0.00 175.55 176.34 1rdu s ARG 88 N -2.85 4.21 0.29 -0.62 6.06 0.09 -0.76 118.95 125.37 1rdu s ARG 88 Ca 0.20 1.19 0.04 0.00 -2.50 0.00 0.00 55.73 54.65 1rdu s ARG 88 Cb -0.06 -2.25 -0.06 0.00 0.06 0.00 0.00 34.95 32.64 1rdu s ARG 88 CO 0.09 -0.05 0.02 -0.59 -2.50 0.00 0.00 175.30 172.28 1rdu s PHE 89 N -2.08 1.84 -0.12 5.12 -0.71 -1.26 -3.90 117.98 116.88 1rdu s PHE 89 Ca 0.61 -0.91 -0.04 0.00 -1.04 0.00 0.00 56.93 55.55 1rdu s PHE 89 Cb -0.11 -1.14 0.06 0.00 -1.21 0.00 0.00 43.02 40.61 1rdu s PHE 89 CO 0.16 0.03 0.15 -2.00 -1.34 0.00 0.00 175.22 172.21 1rdu s GLU 90 N -3.86 0.05 -0.24 1.99 2.12 -1.26 -4.27 118.70 113.23 1rdu s GLU 90 Ca 0.33 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 56.02 1rdu s GLU 90 Cb 0.07 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.71 1rdu s GLU 90 CO 0.13 -0.44 0.01 0.41 -0.54 0.00 0.00 175.26 174.83 1rdu n GLY 91 N 5.31 -4.07 3.62 -1.50 0.00 -1.26 -5.08 105.19 102.21 1rdu n GLY 91 Ca -0.05 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.29 -0.35 0.93 -0.02 0.00 -1.26 -5.05 107.32 100.28 1rdu s GLY 92 Ca -0.01 0.93 -0.14 0.00 0.00 0.00 0.00 44.72 45.51 1rdu s GLY 92 CO 0.63 0.26 1.28 -0.51 0.00 0.00 0.00 173.10 174.76 1rdu s THR 93 N -2.63 2.01 0.24 0.90 -4.23 -1.26 -1.70 115.64 108.98 1rdu s THR 93 Ca 0.11 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1rdu s THR 93 Cb 0.01 -2.92 0.21 0.00 1.34 0.00 0.00 72.50 71.14 1rdu s THR 93 CO -0.04 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.34 1rdu h VAL 94 N -1.50 0.62 -0.70 2.29 2.07 -0.75 -1.36 116.25 116.91 1rdu h VAL 94 Ca -0.43 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1rdu h VAL 94 Cb 1.23 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1rdu h VAL 94 CO 0.37 0.07 0.42 -0.61 0.02 0.00 0.00 177.57 177.84 1rdu h GLN 95 N 0.38 0.95 -0.48 1.57 4.15 -1.59 -3.04 115.11 117.06 1rdu h GLN 95 Ca 0.40 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 1rdu h GLN 95 Cb 0.63 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1rdu h GLN 95 CO -0.43 0.67 -0.17 0.93 -1.93 0.00 0.00 178.83 177.90 1rdu h GLU 96 N 0.96 0.95 -1.06 1.69 4.39 -1.58 0.17 114.58 120.10 1rdu h GLU 96 Ca 0.25 -0.39 0.28 0.00 0.34 0.00 0.00 59.36 59.84 1rdu h GLU 96 Cb -0.03 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.49 1rdu h GLU 96 CO -0.05 1.05 0.69 0.00 -1.16 0.00 0.00 179.01 179.55 1rdu h ALA 97 N 0.87 2.36 0.00 3.43 0.00 -1.35 0.48 119.26 125.05 1rdu h ALA 97 Ca 0.11 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1rdu h ALA 97 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1rdu h ALA 97 CO 0.06 -0.76 -0.89 0.82 0.00 0.00 0.00 179.25 178.48 1rdu h ILE 98 N 0.33 0.69 0.00 0.00 1.08 -1.02 -2.38 117.51 116.21 1rdu h ILE 98 Ca 0.59 -1.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 1rdu h ILE 98 Cb 1.62 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1rdu h ILE 98 CO -0.26 0.23 -0.04 0.44 -0.69 0.00 0.00 178.15 177.83 1rdu h ASP 99 N -1.00 0.00 0.09 1.72 3.32 -0.71 0.37 116.42 120.22 1rdu h ASP 99 Ca -0.21 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1rdu h ASP 99 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1rdu h ASP 99 CO -0.13 0.04 -0.05 0.00 -1.72 0.00 0.00 179.24 177.39 1rdu h ALA 100 N 1.96 -0.13 -0.21 3.45 0.00 -1.03 -3.29 119.26 120.01 1rdu h ALA 100 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rdu h ALA 100 Cb 0.08 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1rdu h ALA 100 CO 0.01 -0.13 -0.10 0.35 0.00 0.00 0.00 179.25 179.38 1rdu h PHE 101 N -1.01 -0.24 -0.43 0.00 3.57 -0.87 0.24 116.94 118.20 1rdu h PHE 101 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1rdu h PHE 101 Cb 0.27 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1rdu h PHE 101 CO 0.05 -0.15 0.18 0.66 -2.23 0.00 0.00 178.31 176.81 1rdu h SER 102 N -0.07 0.59 -0.53 0.41 4.64 -0.46 -0.76 113.55 117.37 1rdu h SER 102 Ca 0.11 -0.16 -0.34 0.00 -0.47 0.00 0.00 61.79 60.93 1rdu h SER 102 Cb 0.24 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.02 1rdu h SER 102 CO -0.26 0.59 0.44 -0.62 -0.87 0.00 0.00 176.83 176.11 1rdu n GLU 103 N -4.63 1.84 -1.25 4.77 1.02 -1.17 -4.86 120.64 116.37 1rdu n GLU 103 Ca 0.00 -1.71 -0.11 0.00 -0.02 0.00 0.00 57.16 55.32 1rdu n GLU 103 Cb 0.14 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.06 1.06 1.80 0.62 0.00 -0.29 -4.88 105.19 103.55 1rdu n GLY 104 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.22 1.74 -4.22 1.61 1.74 0.83 -4.91 116.66 112.24 1rdu n ARG 105 Ca -0.11 -1.54 -0.13 0.00 -0.77 0.00 0.00 57.85 55.30 1rdu n ARG 105 Cb 0.47 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.76 1.74 0.05 0.55 1.43 -1.26 -4.74 118.68 114.69 1rdu s LEU 106 Ca 0.30 -1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 1rdu s LEU 106 Cb 0.24 0.15 -0.05 0.00 0.03 0.00 0.00 46.19 46.57 1rdu s LEU 106 CO 0.01 -0.70 0.26 -1.61 0.23 0.00 0.00 176.35 174.55 1rdu s GLU 107 N -4.02 3.52 -1.11 1.70 2.02 -1.25 -4.95 118.70 114.61 1rdu s GLU 107 Ca 0.29 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.92 1rdu s GLU 107 Cb 0.07 -3.02 0.20 0.00 0.10 0.00 0.00 34.13 31.48 1rdu s GLU 107 CO 0.07 0.60 1.25 -2.00 0.02 0.00 0.00 175.26 175.20 1rdu s GLU 108 N -2.22 4.01 -1.37 1.61 2.12 -1.26 -0.73 118.70 120.86 1rdu s GLU 108 Ca 0.33 -2.63 -0.16 0.00 0.36 0.00 0.00 54.97 52.87 1rdu s GLU 108 Cb -0.13 -4.86 0.04 0.00 0.26 0.00 0.00 34.13 29.45 1rdu s GLU 108 CO 0.22 -1.59 2.03 -0.11 -0.54 0.00 0.00 175.26 175.27 1rdu n LEU 109 N 4.85 5.98 -1.80 2.70 7.94 -0.57 -4.71 117.00 131.39 1rdu n LEU 109 Ca 0.30 -4.00 -0.20 0.00 -1.11 0.00 0.00 56.01 51.00 1rdu n LEU 109 Cb 0.43 -1.68 0.08 0.00 0.53 0.00 0.00 43.42 42.78 1rdu n LEU 109 CO 0.54 0.65 0.50 0.35 -1.11 0.00 0.00 177.39 178.31 1rdu n THR 110 N 5.67 2.69 0.00 1.96 -2.24 -1.26 -4.59 114.28 116.51 1rdu n THR 110 Ca 0.51 -3.67 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 1rdu n THR 110 Cb 0.42 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.85 0.00 -3.71 4.28 5.66 -1.26 -5.10 114.28 113.29 1rdu n THR 111 Ca 0.43 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.34 1rdu n THR 111 Cb 0.90 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.25 0.00 1.09 -0.71 -1.26 -5.18 117.98 111.67 1rdu s PHE 112 Ca 0.00 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.78 1rdu s PHE 112 Cb 0.00 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1rdu s PHE 112 CO 0.00 -1.05 0.00 2.41 -1.34 0.00 0.00 175.22 175.24 1rdu n THR 113 N -0.41 0.00 -3.87 -4.49 -1.04 -1.26 -5.11 114.28 98.11 1rdu n THR 113 Ca -0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 1rdu n THR 113 Cb 0.62 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.00 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 1.50 0.11 -0.19 -2.82 3.00 -1.26 -4.97 118.95 114.33 1rdu s ARG 114 Ca 0.00 -0.02 0.21 0.00 -1.00 0.00 0.00 55.73 54.93 1rdu s ARG 114 Cb 0.00 0.05 0.48 0.00 0.00 0.00 0.00 34.95 35.48 1rdu s ARG 114 CO 0.00 -0.02 1.14 -0.85 0.00 0.00 0.00 175.30 175.57 1rdu n GLU 115 N 2.81 1.43 0.00 5.12 0.28 -1.26 -5.22 120.64 123.80 1rdu n GLU 115 Ca -0.14 -3.14 0.00 0.00 -0.16 0.00 0.00 57.16 53.73 1rdu n GLU 115 Cb 0.59 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 32.24 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38