#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 -1.80 -0.28 3.17 0.00 -1.26 -5.04 121.76 116.54 1rdu s ALA 2 Ca 0.00 1.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 1rdu s ALA 2 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1rdu s ALA 2 CO 0.00 -0.49 1.03 1.03 0.00 0.00 0.00 175.76 177.33 1rdu s ARG 3 N -2.02 4.14 0.04 0.00 0.52 -1.26 -3.58 118.95 116.79 1rdu s ARG 3 Ca -0.03 1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 56.18 1rdu s ARG 3 Cb -0.01 -3.70 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 1rdu s ARG 3 CO -0.01 -0.77 0.43 0.54 0.02 0.00 0.00 175.30 175.52 1rdu s VAL 4 N 3.39 5.02 0.15 3.52 0.11 -0.66 -2.62 120.40 129.30 1rdu s VAL 4 Ca 0.43 0.74 0.01 0.00 -2.93 0.00 0.00 61.98 60.23 1rdu s VAL 4 Cb -0.14 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1rdu s VAL 4 CO 0.11 0.45 0.31 0.00 -3.33 0.00 0.00 175.10 172.64 1rdu s ALA 5 N -1.22 3.93 -0.07 1.54 0.00 -0.73 -1.12 121.76 124.09 1rdu s ALA 5 Ca 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1rdu s ALA 5 Cb -0.16 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1rdu s ALA 5 CO 0.16 0.55 -0.05 0.42 0.00 0.00 0.00 175.76 176.84 1rdu s ILE 6 N -1.74 0.67 -0.49 0.00 1.09 0.83 -1.58 121.20 119.97 1rdu s ILE 6 Ca 0.36 -0.14 -0.28 0.00 -1.10 0.00 0.00 60.65 59.49 1rdu s ILE 6 Cb -0.11 -0.71 0.01 0.00 -1.06 0.00 0.00 42.46 40.59 1rdu s ILE 6 CO 0.28 0.28 1.50 -2.16 -0.10 0.00 0.00 174.94 174.75 1rdu s PRO 7 N 1.28 3.32 0.45 2.79 0.04 -1.26 -1.13 135.00 140.49 1rdu s PRO 7 Ca -0.05 0.73 0.08 0.00 0.04 0.00 0.00 61.00 61.80 1rdu s PRO 7 Cb -0.14 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.28 1rdu s PRO 7 CO -0.02 -1.90 0.50 0.45 0.04 0.00 0.00 177.00 176.07 1rdu s SER 8 N 4.85 5.20 -0.40 6.66 0.15 -0.03 -0.63 113.70 129.49 1rdu s SER 8 Ca 0.60 -0.71 0.11 0.00 0.70 0.00 0.00 55.95 56.64 1rdu s SER 8 Cb -0.13 -0.37 0.42 0.00 -1.71 0.00 0.00 66.02 64.22 1rdu s SER 8 CO 0.28 -0.83 0.98 1.33 1.20 0.00 0.00 173.24 176.20 1rdu n VAL 9 N -1.76 1.60 -3.29 4.45 0.24 -0.53 -2.56 118.33 116.48 1rdu n VAL 9 Ca 0.06 -4.23 0.00 0.00 -2.04 0.00 0.00 64.34 58.13 1rdu n VAL 9 Cb 0.61 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1rdu n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rdu n GLY 10 N -0.20 -1.24 2.57 7.63 0.00 -1.26 -4.57 105.19 108.12 1rdu n GLY 10 Ca 0.25 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1rdu n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rdu n LYS 11 N 0.00 2.24 -4.24 1.61 5.02 -1.26 -4.75 118.16 116.78 1rdu n LYS 11 Ca 0.00 -3.95 -0.13 0.00 -2.02 0.00 0.00 58.31 52.21 1rdu n LYS 11 Cb 0.00 -1.81 -0.10 0.00 -0.02 0.00 0.00 35.03 33.10 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 -3.23 0.84 0.00 4.39 -1.08 -1.26 -5.02 116.67 111.31 1rdu s ASP 12 Ca 0.39 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.43 1rdu s ASP 12 Cb 0.40 0.22 1.35 0.00 -1.46 0.00 0.00 42.92 43.43 1rdu s ASP 12 CO -0.08 -0.70 1.95 -0.11 0.52 0.00 0.00 175.17 176.75 1rdu n LEU 13 N -0.29 0.15 -1.99 -1.34 -0.00 -1.26 -2.66 117.00 109.61 1rdu n LEU 13 Ca -0.03 0.23 -0.24 0.00 -0.00 0.00 0.00 56.01 55.97 1rdu n LEU 13 Cb 0.65 -0.29 0.04 0.00 -0.00 0.00 0.00 43.42 43.82 1rdu n LEU 13 CO 0.34 0.03 0.43 -0.24 -0.00 0.00 0.00 177.39 177.95 1rdu n SER 14 N -1.24 5.19 -4.87 1.96 2.88 -1.26 -0.84 113.62 115.44 1rdu n SER 14 Ca 0.13 -3.76 -0.29 0.00 -1.33 0.00 0.00 58.87 53.61 1rdu n SER 14 Cb 0.27 -0.47 0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 -3.24 4.34 0.35 -3.46 0.01 -1.09 -4.79 113.70 105.82 1rdu s SER 15 Ca 0.53 0.87 -0.25 0.00 1.31 0.00 0.00 55.95 58.40 1rdu s SER 15 Cb 0.43 -1.41 -0.10 0.00 0.21 0.00 0.00 66.02 65.15 1rdu s SER 15 CO 0.03 -2.02 0.98 -0.04 0.41 0.00 0.00 173.24 172.60 1rdu s MET 16 N -5.48 4.45 0.09 12.44 -1.94 -1.26 -0.39 119.30 127.21 1rdu s MET 16 Ca 0.62 1.38 -0.23 0.00 -1.71 0.00 0.00 55.69 55.75 1rdu s MET 16 Cb -0.12 -2.70 -0.07 0.00 2.01 0.00 0.00 34.83 33.96 1rdu s MET 16 CO 0.50 0.14 0.70 0.08 -0.01 0.00 0.00 175.02 176.44 1rdu s VAL 17 N -1.66 4.62 0.01 -6.03 1.01 -0.63 -1.46 120.40 116.26 1rdu s VAL 17 Ca 0.53 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.84 1rdu s VAL 17 Cb -0.19 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1rdu s VAL 17 CO 0.25 0.47 0.51 -0.55 0.00 0.00 0.00 175.10 175.78 1rdu s SER 18 N -0.70 6.91 -0.04 3.32 0.15 0.19 -4.80 113.70 118.73 1rdu s SER 18 Ca 0.34 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1rdu s SER 18 Cb -0.21 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1rdu s SER 18 CO 0.23 0.21 1.64 0.47 1.20 0.00 0.00 173.24 176.99 1rdu n ASP 19 N 2.25 4.56 -3.15 5.45 8.00 -1.26 -4.51 116.55 127.89 1rdu n ASP 19 Ca -0.10 -2.34 0.05 0.00 0.71 0.00 0.00 54.79 53.11 1rdu n ASP 19 Cb 0.51 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.23 0.19 0.09 -1.24 1.70 -1.25 -4.16 118.95 114.05 1rdu s ARG 20 Ca 0.04 0.21 -0.35 0.00 -0.47 0.00 0.00 55.73 55.16 1rdu s ARG 20 Cb 0.03 0.10 -0.16 0.00 -0.57 0.00 0.00 34.95 34.35 1rdu s ARG 20 CO 0.00 -0.34 1.57 0.35 -1.08 0.00 0.00 175.30 175.80 1rdu h PHE 21 N 7.43 -1.35 0.00 5.89 3.57 -1.21 -3.01 116.94 128.26 1rdu h PHE 21 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1rdu h PHE 21 Cb 1.18 0.53 0.00 0.00 2.79 0.00 0.00 35.95 40.44 1rdu h PHE 21 CO -0.07 -0.65 0.00 0.00 -2.23 0.00 0.00 178.31 175.36 1rdu n ALA 22 N -2.80 2.19 -3.55 2.41 0.00 -1.26 -2.60 120.51 114.90 1rdu n ALA 22 Ca -0.12 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 1rdu n ALA 22 Cb 0.45 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.19 1.93 -3.78 0.00 1.74 -1.14 -4.73 116.66 109.49 1rdu n ARG 23 Ca 0.12 -4.35 -0.22 0.00 -0.77 0.00 0.00 57.85 52.64 1rdu n ARG 23 Cb 0.14 -2.11 -0.18 0.00 -1.02 0.00 0.00 32.46 29.29 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rdu s ALA 24 N -1.82 0.64 0.43 7.54 0.00 -1.07 -4.58 121.76 122.90 1rdu s ALA 24 Ca 0.34 -0.08 0.35 0.00 0.00 0.00 0.00 51.96 52.56 1rdu s ALA 24 Cb 0.08 -0.71 1.77 0.00 0.00 0.00 0.00 23.12 24.26 1rdu s ALA 24 CO -0.09 -0.43 2.16 0.93 0.00 0.00 0.00 175.76 178.33 1rdu h GLU 25 N 8.26 0.00 -4.35 0.00 5.08 -1.69 -3.43 114.58 118.45 1rdu h GLU 25 Ca -0.20 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.91 1rdu h GLU 25 Cb 1.13 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.15 1rdu h GLU 25 CO 0.26 0.05 -0.73 0.71 -1.00 0.00 0.00 179.01 178.30 1rdu s TYR 26 N -4.07 0.51 -0.18 4.33 1.51 -1.15 -1.07 117.35 117.22 1rdu s TYR 26 Ca -0.03 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1rdu s TYR 26 Cb 0.12 -0.32 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 1rdu s TYR 26 CO 0.52 -0.10 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.77 1rdu s PHE 27 N -1.23 1.55 -0.26 2.71 0.08 -0.20 -0.85 117.98 119.79 1rdu s PHE 27 Ca -0.10 -1.09 -0.16 0.00 0.12 0.00 0.00 56.93 55.70 1rdu s PHE 27 Cb -0.09 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1rdu s PHE 27 CO -0.00 -0.63 0.42 0.42 -0.10 0.00 0.00 175.22 175.34 1rdu s ILE 28 N 1.68 5.14 -0.43 0.64 1.09 -0.29 -0.85 121.20 128.19 1rdu s ILE 28 Ca -0.01 0.70 -0.06 0.00 -1.10 0.00 0.00 60.65 60.18 1rdu s ILE 28 Cb -0.16 -3.75 0.10 0.00 -1.06 0.00 0.00 42.46 37.59 1rdu s ILE 28 CO -0.07 0.15 0.25 -0.63 -0.10 0.00 0.00 174.94 174.54 1rdu s ILE 29 N 2.02 3.77 -0.43 2.92 1.01 0.12 -0.12 121.20 130.50 1rdu s ILE 29 Ca 0.18 -1.80 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 1rdu s ILE 29 Cb -0.16 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1rdu s ILE 29 CO 0.09 -0.65 0.73 -0.47 0.00 0.00 0.00 174.94 174.64 1rdu s TYR 30 N 1.28 3.04 -0.51 3.97 5.04 -0.28 -2.39 117.35 127.51 1rdu s TYR 30 Ca 0.06 0.15 -0.29 0.00 -2.44 0.00 0.00 57.07 54.55 1rdu s TYR 30 Cb -0.24 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.61 1rdu s TYR 30 CO -0.02 -0.89 1.16 0.34 -1.34 0.00 0.00 175.55 174.80 1rdu s ASP 31 N 2.03 6.57 -1.25 4.32 -1.08 0.28 -1.66 116.67 125.89 1rdu s ASP 31 Ca 0.27 0.37 -0.08 0.00 -0.52 0.00 0.00 52.55 52.59 1rdu s ASP 31 Cb -0.13 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 1rdu s ASP 31 CO 0.20 -1.33 2.90 0.35 0.52 0.00 0.00 175.17 177.81 1rdu n THR 32 N 6.81 4.32 0.00 1.71 -2.24 -1.23 -1.58 114.28 122.07 1rdu n THR 32 Ca 0.11 -2.90 0.00 0.00 -2.27 0.00 0.00 64.05 58.99 1rdu n THR 32 Cb 0.49 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 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 2.78 0.00 -2.38 -0.78 -0.58 -1.26 -4.42 120.64 113.99 1rdu n GLU 33 Ca 0.68 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.38 1rdu n GLU 33 Cb 0.35 -0.34 0.05 0.00 -0.57 0.00 0.00 31.44 30.93 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rdu n SER 34 N -2.65 2.21 -1.63 1.62 7.64 -1.24 -4.98 113.62 114.59 1rdu n SER 34 Ca 0.00 -2.47 -0.13 0.00 1.01 0.00 0.00 58.87 57.28 1rdu n SER 34 Cb 0.26 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.50 0.83 3.77 0.23 0.00 -0.61 -4.93 105.19 103.98 1rdu n GLY 35 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.09 5.89 0.05 1.61 3.04 -1.12 -4.80 114.94 117.52 1rdu s ASN 36 Ca 0.00 2.21 0.03 0.00 0.04 0.00 0.00 52.86 55.14 1rdu s ASN 36 Cb 0.00 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 37.10 1rdu s ASN 36 CO 0.00 -1.11 -0.10 -0.69 -3.04 0.00 0.00 177.10 172.16 1rdu s VAL 37 N -1.70 0.72 -0.01 -5.21 1.01 -1.26 -0.55 120.40 113.40 1rdu s VAL 37 Ca 0.70 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1rdu s VAL 37 Cb -0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1rdu s VAL 37 CO 0.29 -0.27 -0.10 -0.70 0.00 0.00 0.00 175.10 174.33 1rdu s GLU 38 N -1.47 0.81 -0.41 2.72 2.56 -1.00 -4.95 118.70 116.95 1rdu s GLU 38 Ca -0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 54.97 54.50 1rdu s GLU 38 Cb -0.09 -0.78 0.09 0.00 2.00 0.00 0.00 34.13 35.35 1rdu s GLU 38 CO 0.01 0.19 0.23 0.08 -0.56 0.00 0.00 175.26 175.22 1rdu s VAL 39 N -0.16 3.90 0.48 3.70 1.01 -1.26 -0.71 120.40 127.36 1rdu s VAL 39 Ca 0.03 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 1rdu s VAL 39 Cb -0.04 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1rdu s VAL 39 CO -0.00 -0.55 0.99 -0.69 0.00 0.00 0.00 175.10 174.85 1rdu s VAL 40 N 1.34 4.26 -0.12 2.92 1.01 -0.03 -4.91 120.40 124.86 1rdu s VAL 40 Ca 0.04 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1rdu s VAL 40 Cb -0.23 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1rdu s VAL 40 CO -0.00 -0.43 -0.16 -0.70 0.00 0.00 0.00 175.10 173.82 1rdu s GLU 41 N -3.53 3.30 -0.05 2.72 2.12 -1.26 -1.03 118.70 120.97 1rdu s GLU 41 Ca 0.62 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1rdu s GLU 41 Cb -0.11 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.76 1rdu s GLU 41 CO 0.22 0.21 0.12 1.21 -0.54 0.00 0.00 175.26 176.47 1rdu s ASN 42 N 0.35 -0.08 -0.64 -1.70 3.84 -0.23 -4.96 114.94 111.51 1rdu s ASN 42 Ca -0.13 0.24 0.04 0.00 0.21 0.00 0.00 52.86 53.21 1rdu s ASN 42 Cb -0.16 0.15 0.35 0.00 -0.55 0.00 0.00 41.25 41.04 1rdu s ASN 42 CO 0.06 -0.12 1.20 0.35 -2.79 0.00 0.00 177.10 175.81 1rdu n THR 43 N 3.93 3.49 -0.50 -5.21 -2.24 -1.26 -4.36 114.28 108.14 1rdu n THR 43 Ca -0.24 -5.44 -0.01 0.00 -2.27 0.00 0.00 64.05 56.10 1rdu n THR 43 Cb 0.53 -1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 1rdu n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1rdu n ILE 44 N -0.28 1.92 -0.34 2.28 -0.00 -1.26 -4.65 119.36 117.02 1rdu n ILE 44 Ca 0.37 -0.53 -0.03 0.00 -0.00 0.00 0.00 62.75 62.56 1rdu n ILE 44 Cb 0.41 -1.50 0.01 0.00 -0.00 0.00 0.00 39.64 38.56 1rdu n ILE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rdu n ALA 45 N 1.61 3.95 -3.46 -1.28 0.00 -1.26 -4.79 120.51 115.29 1rdu n ALA 45 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1rdu n ALA 45 Cb 0.49 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1rdu n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rdu s ASP 46 N 1.56 -0.49 0.00 0.00 2.15 -1.26 -5.20 116.67 113.44 1rdu s ASP 46 Ca 0.05 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1rdu s ASP 46 Cb 0.04 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1rdu s ASP 46 CO 0.00 -0.85 0.00 0.00 -0.17 0.00 0.00 175.17 174.15 1rdu n ALA 47 N -0.33 0.00 -2.46 3.66 0.00 -1.26 -5.01 120.51 115.11 1rdu n ALA 47 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1rdu n ALA 47 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1rdu n ALA 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rdu s HIS 48 N 0.00 3.62 -1.82 0.00 5.65 -1.26 -4.99 115.29 116.49 1rdu s HIS 48 Ca 0.00 1.60 0.00 0.00 0.25 0.00 0.00 55.06 56.91 1rdu s HIS 48 Cb 0.00 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.19 1rdu s HIS 48 CO 0.00 -0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.10 1rdu n GLY 49 N 2.74 -1.57 7.00 1.59 0.00 -1.26 -5.17 105.19 108.53 1rdu n GLY 49 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1rdu n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1rdu n THR 50 N 1.18 0.00 -0.98 2.61 5.66 -1.26 -4.73 114.28 116.75 1rdu n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rdu n THR 50 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1rdu n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rdu n GLY 51 N 0.00 -0.03 0.23 1.09 0.00 -1.26 -4.99 105.19 100.23 1rdu n GLY 51 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 0.00 1.61 0.13 -1.99 -3.47 132.00 128.28 1rdu h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rdu h PRO 52 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rdu h PRO 52 CO 0.00 0.20 0.00 0.36 -0.23 0.00 0.00 178.00 178.33 1rdu n LYS 53 N -3.92 0.00 0.17 0.86 2.85 -1.26 -4.03 118.16 112.83 1rdu n LYS 53 Ca -0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1rdu n LYS 53 Cb 0.29 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.63 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1rdu h VAL 54 N 0.00 0.00 -0.36 0.58 3.04 -1.99 -3.00 116.25 114.52 1rdu h VAL 54 Ca 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1rdu h VAL 54 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.23 1rdu h VAL 54 CO 0.00 0.00 0.08 0.58 -1.01 0.00 0.00 177.57 177.22 1rdu h VAL 55 N -0.51 0.84 -0.76 1.51 2.07 -1.98 -1.30 116.25 116.12 1rdu h VAL 55 Ca -0.04 -0.07 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1rdu h VAL 55 Cb 0.42 0.61 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 1rdu h VAL 55 CO 0.01 0.04 0.06 1.56 0.02 0.00 0.00 177.57 179.26 1rdu h GLN 56 N 0.21 0.14 0.33 1.57 1.08 -1.85 0.61 115.11 117.20 1rdu h GLN 56 Ca 0.17 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1rdu h GLN 56 Cb 0.18 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1rdu h GLN 56 CO -0.21 0.09 -0.16 1.03 -0.95 0.00 0.00 178.83 178.63 1rdu h SER 57 N 0.14 -0.38 -0.48 1.46 0.87 -1.13 -2.50 113.55 111.54 1rdu h SER 57 Ca 0.43 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1rdu h SER 57 Cb 0.77 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 1rdu h SER 57 CO -0.63 0.06 0.24 -0.07 -0.53 0.00 0.00 176.83 175.89 1rdu h LEU 58 N -0.92 0.35 -1.40 2.23 3.38 -0.63 0.77 115.31 119.08 1rdu h LEU 58 Ca -0.05 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1rdu h LEU 58 Cb 0.52 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1rdu h LEU 58 CO 0.08 0.24 0.48 0.58 0.09 0.00 0.00 178.44 179.91 1rdu h VAL 59 N 0.48 0.97 -0.84 1.22 2.07 -1.01 -1.07 116.25 118.07 1rdu h VAL 59 Ca 0.21 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1rdu h VAL 59 Cb 0.12 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1rdu h VAL 59 CO -0.15 0.13 0.48 -1.28 0.02 0.00 0.00 177.57 176.77 1rdu h SER 60 N 0.69 1.02 -0.40 0.57 0.87 -0.38 -2.47 113.55 113.45 1rdu h SER 60 Ca 0.33 -0.07 -0.26 0.00 -1.23 0.00 0.00 61.79 60.55 1rdu h SER 60 Cb 0.39 -0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 61.98 1rdu h SER 60 CO -0.12 0.80 0.34 0.29 -0.53 0.00 0.00 176.83 177.62 1rdu n LYS 61 N -4.35 1.65 -2.08 2.24 4.01 -0.43 -4.84 118.16 114.36 1rdu n LYS 61 Ca 0.09 -1.31 -0.16 0.00 -0.51 0.00 0.00 58.31 56.42 1rdu n LYS 61 Cb 0.08 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.06 1rdu n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rdu n GLY 62 N 0.42 0.23 3.56 0.72 0.00 -0.93 -4.91 105.19 104.27 1rdu n GLY 62 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.64 3.46 -0.48 1.61 1.01 -1.07 -4.33 120.40 117.97 1rdu s VAL 63 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1rdu s VAL 63 Cb 0.00 -4.11 0.53 0.00 0.00 0.00 0.00 36.38 32.80 1rdu s VAL 63 CO 0.00 -1.04 1.77 -0.62 0.00 0.00 0.00 175.10 175.21 1rdu n GLU 64 N 9.10 2.50 -3.53 2.72 1.02 -1.08 -4.54 120.64 126.83 1rdu n GLU 64 Ca 0.17 -3.30 -0.09 0.00 -0.02 0.00 0.00 57.16 53.92 1rdu n GLU 64 Cb 0.51 -2.16 -0.03 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 -0.34 -0.20 -0.32 1.51 -1.08 -1.26 117.35 112.14 1rdu s TYR 65 Ca 0.57 0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 56.66 1rdu s TYR 65 Cb 0.47 0.51 0.11 0.00 -0.11 0.00 0.00 41.96 42.94 1rdu s TYR 65 CO 0.03 -0.47 0.94 -1.17 -1.11 0.00 0.00 175.55 173.77 1rdu s LEU 66 N -2.12 -0.48 -0.36 -1.29 2.96 0.24 -1.78 118.68 115.86 1rdu s LEU 66 Ca 0.03 0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1rdu s LEU 66 Cb -0.01 2.03 0.06 0.00 0.50 0.00 0.00 46.19 48.77 1rdu s LEU 66 CO -0.06 -0.30 0.12 -0.63 -1.32 0.00 0.00 176.35 174.16 1rdu s ILE 67 N -0.48 3.54 -0.29 6.68 1.01 -0.61 -0.44 121.20 130.61 1rdu s ILE 67 Ca -0.01 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.22 1rdu s ILE 67 Cb -0.03 -3.13 0.19 0.00 0.01 0.00 0.00 42.46 39.50 1rdu s ILE 67 CO -0.00 -0.32 0.57 0.00 0.00 0.00 0.00 174.94 175.19 1rdu s ALA 68 N 1.31 -2.17 0.21 9.38 0.00 0.23 -4.03 121.76 126.69 1rdu s ALA 68 Ca 0.00 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1rdu s ALA 68 Cb -0.21 -2.25 0.41 0.00 0.00 0.00 0.00 23.12 21.07 1rdu s ALA 68 CO 0.00 -1.51 1.13 -1.13 0.00 0.00 0.00 175.76 174.25 1rdu n SER 69 N 5.42 -0.20 -2.65 0.00 3.41 -1.26 -4.06 113.62 114.29 1rdu n SER 69 Ca 0.01 1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 59.75 1rdu n SER 69 Cb 0.52 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1rdu n SER 69 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rdu n ASN 70 N -5.11 -1.51 -4.61 4.04 5.03 -1.26 -4.71 115.26 107.13 1rdu n ASN 70 Ca 0.13 -2.53 -0.23 0.00 0.87 0.00 0.00 54.58 52.82 1rdu n ASN 70 Cb 0.43 2.66 -0.08 0.00 -1.02 0.00 0.00 39.78 41.77 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1rdu s VAL 71 N -2.54 3.22 -0.18 2.41 0.11 -1.26 -0.83 120.40 121.32 1rdu s VAL 71 Ca 0.20 -2.03 0.19 0.00 -2.93 0.00 0.00 61.98 57.41 1rdu s VAL 71 Cb -0.02 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 1rdu s VAL 71 CO 0.15 -0.38 1.04 1.23 -3.33 0.00 0.00 175.10 173.81 1rdu h GLY 72 N 1.97 0.00 0.00 6.54 0.00 -1.85 -3.43 103.07 106.30 1rdu h GLY 72 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1rdu h GLY 72 CO 0.60 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.68 1rdu n ARG 73 N -2.89 0.00 0.00 4.80 1.74 -1.26 -4.82 116.66 114.23 1rdu n ARG 73 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1rdu n ARG 73 Cb 0.72 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1rdu n ARG 73 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1rdu n ASN 74 N 0.00 -0.81 0.00 0.55 6.94 -1.26 -4.67 115.26 116.01 1rdu n ASN 74 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1rdu n ASN 74 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rdu n ALA 75 N -3.00 0.00 -0.14 -2.53 0.00 -1.26 -4.73 120.51 108.84 1rdu n ALA 75 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1rdu n ALA 75 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 0.82 -0.38 0.00 3.57 -2.00 0.83 116.94 119.78 1rdu h PHE 76 Ca 0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1rdu h PHE 76 Cb 0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1rdu h PHE 76 CO 0.00 0.56 -0.30 0.93 -2.23 0.00 0.00 178.31 177.26 1rdu h GLU 77 N 0.86 0.82 0.00 1.11 5.08 -1.97 -3.07 114.58 117.40 1rdu h GLU 77 Ca 0.22 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1rdu h GLU 77 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rdu h GLU 77 CO -0.04 1.01 -0.31 1.15 -1.00 0.00 0.00 179.01 179.82 1rdu h THR 78 N 0.69 0.67 0.00 1.13 2.02 -1.57 -1.28 112.91 114.57 1rdu h THR 78 Ca 0.08 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1rdu h THR 78 Cb 0.85 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1rdu h THR 78 CO 0.07 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.45 1rdu n LEU 79 N -3.37 0.17 -0.02 2.58 4.77 0.14 -2.46 117.00 118.82 1rdu n LEU 79 Ca 0.01 0.76 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 1rdu n LEU 79 Cb 0.52 -0.40 0.54 0.00 -2.33 0.00 0.00 43.42 41.75 1rdu n LEU 79 CO 0.36 -0.40 1.17 0.07 -1.33 0.00 0.00 177.39 177.26 1rdu h LYS 80 N 0.00 0.31 0.04 3.23 2.10 -1.59 0.77 116.57 121.43 1rdu h LYS 80 Ca 0.00 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 1rdu h LYS 80 Cb 0.00 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.21 1rdu h LYS 80 CO 0.00 0.20 -0.36 0.00 -2.00 0.00 0.00 179.45 177.30 1rdu h ALA 81 N 1.75 -0.57 -0.07 0.07 0.00 -1.32 -2.07 119.26 117.05 1rdu h ALA 81 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1rdu h ALA 81 Cb 0.46 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1rdu h ALA 81 CO -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 179.25 178.37 1rdu n ALA 82 N -2.79 3.67 -3.29 0.00 0.00 -0.21 -4.80 120.51 113.08 1rdu n ALA 82 Ca -0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 1rdu n ALA 82 Cb 0.35 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 1.01 -0.46 3.65 0.00 0.00 -0.78 -4.86 105.19 103.75 1rdu n GLY 83 Ca 0.04 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.49 4.69 0.50 1.61 1.01 0.09 -4.65 120.40 121.15 1rdu s VAL 84 Ca 0.33 1.88 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 1rdu s VAL 84 Cb -0.19 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 1rdu s VAL 84 CO 0.40 -0.21 0.99 -0.75 0.00 0.00 0.00 175.10 175.53 1rdu s LYS 85 N 3.20 3.91 -0.22 2.72 2.20 -0.39 -3.70 119.74 127.45 1rdu s LYS 85 Ca 0.42 1.08 -0.04 0.00 -0.36 0.00 0.00 55.97 57.07 1rdu s LYS 85 Cb -0.15 -2.13 0.12 0.00 -1.51 0.00 0.00 37.83 34.16 1rdu s LYS 85 CO 0.08 -0.31 0.35 0.08 -0.36 0.00 0.00 175.35 175.19 1rdu s VAL 86 N -2.42 -0.56 0.72 4.02 1.01 -1.26 -0.59 120.40 121.32 1rdu s VAL 86 Ca 0.61 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1rdu s VAL 86 Cb -0.11 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.62 1rdu s VAL 86 CO 0.27 -0.08 1.01 -0.31 0.00 0.00 0.00 175.10 175.98 1rdu s TYR 87 N 2.52 2.40 0.08 5.22 1.51 0.42 -1.65 117.35 127.84 1rdu s TYR 87 Ca 0.09 0.18 0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1rdu s TYR 87 Cb -0.15 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.46 1rdu s TYR 87 CO -0.14 -1.57 -0.08 0.50 -1.11 0.00 0.00 175.55 173.15 1rdu s ARG 88 N -5.23 2.28 0.28 -0.62 3.52 0.12 -0.60 118.95 118.70 1rdu s ARG 88 Ca 0.63 -0.93 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1rdu s ARG 88 Cb -0.08 -2.38 -0.06 0.00 -1.56 0.00 0.00 34.95 30.87 1rdu s ARG 88 CO 0.45 0.53 -0.02 0.12 -0.81 0.00 0.00 175.30 175.58 1rdu s PHE 89 N -1.17 1.88 -0.39 5.12 2.19 -1.26 -2.96 117.98 121.40 1rdu s PHE 89 Ca 0.21 -0.81 0.11 0.00 0.33 0.00 0.00 56.93 56.77 1rdu s PHE 89 Cb -0.11 -1.13 0.37 0.00 -1.31 0.00 0.00 43.02 40.84 1rdu s PHE 89 CO 0.13 0.15 0.97 -1.91 1.83 0.00 0.00 175.22 176.38 1rdu n GLU 90 N -0.58 1.05 0.00 10.12 4.07 -1.26 -4.18 120.64 129.86 1rdu n GLU 90 Ca -0.05 -2.73 0.00 0.00 -0.06 0.00 0.00 57.16 54.32 1rdu n GLU 90 Cb 0.64 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 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 0.11 1.06 0.00 8.31 0.00 -1.26 -5.16 105.19 108.25 1rdu n GLY 91 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 2.60 1.06 3.95 -0.02 0.00 -1.26 -5.04 105.19 106.49 1rdu n GLY 92 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 2.23 0.35 2.61 -4.23 -1.26 -1.61 115.64 111.73 1rdu s THR 93 Ca 0.00 -0.37 0.12 0.00 -1.18 0.00 0.00 61.69 60.26 1rdu s THR 93 Cb 0.00 -2.86 0.34 0.00 1.34 0.00 0.00 72.50 71.32 1rdu s THR 93 CO 0.00 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.42 1rdu h VAL 94 N -0.67 0.58 -0.47 2.29 2.07 -0.75 -1.14 116.25 118.15 1rdu h VAL 94 Ca -0.42 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1rdu h VAL 94 Cb 1.29 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1rdu h VAL 94 CO 0.49 0.10 0.31 -0.61 0.02 0.00 0.00 177.57 177.88 1rdu h GLN 95 N 0.55 0.62 -0.58 1.57 5.75 -1.27 -3.14 115.11 118.60 1rdu h GLN 95 Ca 0.60 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 59.02 1rdu h GLN 95 Cb 1.25 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1rdu h GLN 95 CO -0.37 0.41 0.18 0.93 -2.65 0.00 0.00 178.83 177.33 1rdu h GLU 96 N 0.64 0.90 -1.09 1.69 4.39 -1.53 0.94 114.58 120.52 1rdu h GLU 96 Ca 0.17 -0.20 0.30 0.00 0.34 0.00 0.00 59.36 59.97 1rdu h GLU 96 Cb -0.07 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.35 1rdu h GLU 96 CO -0.04 0.81 0.70 0.00 -1.16 0.00 0.00 179.01 179.33 1rdu h ALA 97 N 1.05 2.35 0.00 3.43 0.00 -1.43 0.24 119.26 124.89 1rdu h ALA 97 Ca 0.19 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1rdu h ALA 97 Cb 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rdu h ALA 97 CO -0.01 -0.79 -0.54 0.82 0.00 0.00 0.00 179.25 178.74 1rdu h ILE 98 N 0.32 0.33 -0.47 0.00 1.08 -1.21 -3.14 117.51 114.42 1rdu h ILE 98 Ca 0.63 -1.35 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 1rdu h ILE 98 Cb 1.71 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 36.11 1rdu h ILE 98 CO -0.31 0.11 -0.04 0.44 -0.69 0.00 0.00 178.15 177.66 1rdu h ASP 99 N -1.00 -0.28 -0.35 1.72 5.19 -0.76 0.29 116.42 121.23 1rdu h ASP 99 Ca -0.08 0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 1rdu h ASP 99 Cb 0.62 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1rdu h ASP 99 CO -0.05 -0.10 -0.26 0.00 -3.12 0.00 0.00 179.24 175.72 1rdu h ALA 100 N 1.43 0.50 -0.20 3.45 0.00 -0.68 -1.63 119.26 122.13 1rdu h ALA 100 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rdu h ALA 100 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rdu h ALA 100 CO -0.42 0.51 0.10 0.35 0.00 0.00 0.00 179.25 179.78 1rdu h PHE 101 N 0.58 0.29 0.00 0.00 3.57 -1.33 0.20 116.94 120.26 1rdu h PHE 101 Ca 0.07 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 1rdu h PHE 101 Cb 0.83 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1rdu h PHE 101 CO 0.06 0.30 -0.52 0.66 -2.23 0.00 0.00 178.31 176.59 1rdu h SER 102 N 0.20 0.00 -1.00 0.41 4.64 -0.07 -0.79 113.55 116.93 1rdu h SER 102 Ca 0.07 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.78 1rdu h SER 102 Cb 0.12 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.91 1rdu h SER 102 CO -0.01 0.52 0.79 -0.62 -0.87 0.00 0.00 176.83 176.64 1rdu n GLU 103 N -3.92 2.51 -4.20 4.77 1.02 -0.65 -4.95 120.64 115.22 1rdu n GLU 103 Ca -0.01 -3.17 -0.36 0.00 -0.02 0.00 0.00 57.16 53.59 1rdu n GLU 103 Cb 0.53 -2.24 -0.05 0.00 -0.02 0.00 0.00 31.44 29.65 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 -1.01 -0.37 2.08 0.62 0.00 -0.30 -4.89 105.19 101.32 1rdu n GLY 104 Ca 0.62 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.68 2.60 -4.31 1.61 1.74 0.70 -5.03 116.66 109.29 1rdu n ARG 105 Ca -0.24 -3.74 -0.16 0.00 -0.77 0.00 0.00 57.85 52.93 1rdu n ARG 105 Cb 0.63 -1.86 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 -3.40 1.99 -0.13 0.55 1.43 -1.24 -4.70 118.68 113.18 1rdu s LEU 106 Ca 0.41 -1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1rdu s LEU 106 Cb 0.38 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 46.42 1rdu s LEU 106 CO -0.01 -0.61 0.23 -1.61 0.23 0.00 0.00 176.35 174.59 1rdu s GLU 107 N -3.93 3.92 -0.59 1.70 0.41 -1.15 -4.97 118.70 114.08 1rdu s GLU 107 Ca 0.31 0.01 -0.21 0.00 -0.41 0.00 0.00 54.97 54.67 1rdu s GLU 107 Cb 0.07 -3.31 0.07 0.00 -1.78 0.00 0.00 34.13 29.18 1rdu s GLU 107 CO 0.10 0.50 0.82 -2.00 -0.49 0.00 0.00 175.26 174.19 1rdu s GLU 108 N -0.30 3.12 -1.38 1.61 2.12 -1.26 0.14 118.70 122.75 1rdu s GLU 108 Ca 0.16 -0.91 -0.14 0.00 0.36 0.00 0.00 54.97 54.43 1rdu s GLU 108 Cb -0.13 -4.19 0.08 0.00 0.26 0.00 0.00 34.13 30.15 1rdu s GLU 108 CO 0.04 -1.57 2.01 -0.11 -0.54 0.00 0.00 175.26 175.09 1rdu n LEU 109 N 6.96 6.29 -1.91 2.70 7.94 -0.66 -4.78 117.00 133.55 1rdu n LEU 109 Ca -0.05 -4.20 -0.19 0.00 -1.11 0.00 0.00 56.01 50.46 1rdu n LEU 109 Cb 0.45 -1.65 0.06 0.00 0.53 0.00 0.00 43.42 42.81 1rdu n LEU 109 CO 0.60 0.92 1.19 0.35 -1.11 0.00 0.00 177.39 179.34 1rdu n THR 110 N 5.04 2.78 -3.60 1.96 -2.24 -1.26 -4.80 114.28 112.17 1rdu n THR 110 Ca 0.48 -1.71 0.02 0.00 -2.27 0.00 0.00 64.05 60.57 1rdu n THR 110 Cb 0.40 -1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 67.46 1rdu n THR 110 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rdu s THR 111 N -2.56 0.00 0.34 4.28 -1.32 -1.26 -5.19 115.64 109.93 1rdu s THR 111 Ca 0.36 -0.11 0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1rdu s THR 111 Cb 0.29 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.42 1rdu s THR 111 CO 0.01 0.00 0.21 -0.36 -2.21 0.00 0.00 174.62 172.27 1rdu s PHE 112 N -2.25 1.71 0.40 9.09 0.40 -1.26 -5.11 117.98 120.96 1rdu s PHE 112 Ca 0.14 -1.50 0.08 0.00 -0.60 0.00 0.00 56.93 55.04 1rdu s PHE 112 Cb 0.05 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1rdu s PHE 112 CO -0.05 -0.65 0.34 0.99 0.70 0.00 0.00 175.22 176.56 1rdu s THR 113 N -3.43 2.82 -0.08 0.64 2.01 -1.26 -5.15 115.64 111.19 1rdu s THR 113 Ca 0.35 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1rdu s THR 113 Cb 0.03 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1rdu s THR 113 CO 0.22 -0.04 -0.08 -0.60 -0.69 0.00 0.00 174.62 173.43 1rdu s ARG 114 N -4.08 1.37 -0.87 4.92 6.06 -1.26 -5.09 118.95 120.01 1rdu s ARG 114 Ca 0.46 -0.25 -0.16 0.00 -2.50 0.00 0.00 55.73 53.28 1rdu s ARG 114 Cb -0.03 -1.32 0.18 0.00 0.06 0.00 0.00 34.95 33.84 1rdu s ARG 114 CO 0.27 -0.13 0.91 -2.00 -2.50 0.00 0.00 175.30 171.85 1rdu s GLU 115 N 1.19 3.60 0.00 5.12 2.12 -1.26 -5.39 118.70 124.09 1rdu s GLU 115 Ca -0.05 -2.18 0.00 0.00 0.36 0.00 0.00 54.97 53.09 1rdu s GLU 115 Cb -0.14 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.63 1rdu s GLU 115 CO -0.02 -1.48 0.00 0.41 -0.54 0.00 0.00 175.26 173.63