#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 0.00 -1.76 3.04 0.00 -1.26 -5.06 120.51 115.47 1rdu n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1rdu n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.00 4.79 -0.12 0.00 0.52 -1.24 -3.84 118.95 117.06 1rdu s ARG 3 Ca 0.00 1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 56.68 1rdu s ARG 3 Cb 0.00 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1rdu s ARG 3 CO 0.00 0.45 -0.03 0.54 0.02 0.00 0.00 175.30 176.28 1rdu s VAL 4 N -1.25 4.04 -0.00 3.52 0.11 -0.79 -1.86 120.40 124.17 1rdu s VAL 4 Ca 0.43 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1rdu s VAL 4 Cb -0.26 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1rdu s VAL 4 CO 0.32 0.54 0.15 0.00 -3.33 0.00 0.00 175.10 172.78 1rdu s ALA 5 N -0.23 3.84 -0.09 1.54 0.00 -0.97 -1.58 121.76 124.28 1rdu s ALA 5 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1rdu s ALA 5 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1rdu s ALA 5 CO 0.02 0.73 -0.08 0.42 0.00 0.00 0.00 175.76 176.86 1rdu s ILE 6 N -1.30 0.96 -1.08 0.00 1.09 0.27 -1.27 121.20 119.86 1rdu s ILE 6 Ca 0.26 -0.29 -0.21 0.00 -1.10 0.00 0.00 60.65 59.31 1rdu s ILE 6 Cb -0.12 -0.96 0.06 0.00 -1.06 0.00 0.00 42.46 40.38 1rdu s ILE 6 CO 0.18 0.34 1.50 -2.16 -0.10 0.00 0.00 174.94 174.70 1rdu s PRO 7 N 1.39 3.69 0.73 2.79 0.04 -1.26 -2.02 135.00 140.37 1rdu s PRO 7 Ca -0.01 -1.39 -0.08 0.00 0.04 0.00 0.00 61.00 59.55 1rdu s PRO 7 Cb -0.13 -5.37 0.06 0.00 0.04 0.00 0.00 34.50 29.09 1rdu s PRO 7 CO -0.04 -2.19 1.06 0.45 0.04 0.00 0.00 177.00 176.32 1rdu s SER 8 N 4.69 4.80 -0.28 6.66 0.15 0.40 -0.44 113.70 129.67 1rdu s SER 8 Ca 0.47 0.61 0.08 0.00 0.70 0.00 0.00 55.95 57.81 1rdu s SER 8 Cb 0.01 -1.24 0.46 0.00 -1.71 0.00 0.00 66.02 63.53 1rdu s SER 8 CO -0.06 -1.64 1.19 1.33 1.20 0.00 0.00 173.24 175.26 1rdu n VAL 9 N -3.03 2.45 -3.59 4.45 0.24 -0.08 -1.51 118.33 117.26 1rdu n VAL 9 Ca 0.08 -4.06 0.04 0.00 -2.04 0.00 0.00 64.34 58.35 1rdu n VAL 9 Cb 0.60 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 -3.56 -0.48 -0.53 7.63 0.00 -1.26 -4.74 107.32 104.38 1rdu s GLY 10 Ca 0.49 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 46.08 1rdu s GLY 10 CO 0.02 0.60 2.37 0.58 0.00 0.00 0.00 173.10 176.67 1rdu n LYS 11 N -0.53 2.38 -4.05 2.90 2.85 -1.26 -4.74 118.16 115.71 1rdu n LYS 11 Ca -0.09 -2.53 -0.10 0.00 -1.05 0.00 0.00 58.31 54.54 1rdu n LYS 11 Cb 0.64 -2.07 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 1rdu n LYS 11 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1rdu s ASP 12 N -0.25 0.57 0.26 -5.58 -1.08 -1.26 -5.01 116.67 104.32 1rdu s ASP 12 Ca 0.52 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 52.12 1rdu s ASP 12 Cb 0.38 0.10 0.84 0.00 -1.46 0.00 0.00 42.92 42.79 1rdu s ASP 12 CO -0.19 -0.36 1.75 0.25 0.52 0.00 0.00 175.17 177.15 1rdu h LEU 13 N 4.07 0.00 -3.76 -1.34 7.12 -1.98 -2.48 115.31 116.95 1rdu h LEU 13 Ca -0.34 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.12 1rdu h LEU 13 Cb 1.19 0.00 -0.39 0.00 -0.53 0.00 0.00 40.66 40.93 1rdu h LEU 13 CO 0.49 0.00 -0.51 -1.54 -0.13 0.00 0.00 178.44 176.75 1rdu n SER 14 N -2.38 5.23 -4.94 1.25 3.41 -1.26 -1.05 113.62 113.89 1rdu n SER 14 Ca 0.04 -3.76 -0.25 0.00 -0.26 0.00 0.00 58.87 54.64 1rdu n SER 14 Cb 0.38 -0.46 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rdu s SER 15 N -3.27 5.41 0.38 4.04 0.01 -0.93 -4.85 113.70 114.48 1rdu s SER 15 Ca 0.53 0.47 -0.24 0.00 1.31 0.00 0.00 55.95 58.01 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 -1.13 0.99 -0.04 0.41 0.00 0.00 173.24 173.49 1rdu s MET 16 N -4.94 4.33 0.14 12.44 -1.94 -1.26 -0.51 119.30 127.56 1rdu s MET 16 Ca 0.55 1.34 -0.09 0.00 -1.71 0.00 0.00 55.69 55.78 1rdu s MET 16 Cb -0.10 -2.54 -0.06 0.00 2.01 0.00 0.00 34.83 34.13 1rdu s MET 16 CO 0.43 0.03 0.46 0.08 -0.01 0.00 0.00 175.02 176.01 1rdu s VAL 17 N -1.78 5.03 -0.15 -6.03 1.01 -0.84 -0.91 120.40 116.74 1rdu s VAL 17 Ca 0.56 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 1rdu s VAL 17 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1rdu s VAL 17 CO 0.22 0.14 0.02 -0.55 0.00 0.00 0.00 175.10 174.94 1rdu s SER 18 N -2.04 5.34 0.00 3.32 0.15 0.41 -4.88 113.70 115.99 1rdu s SER 18 Ca 0.39 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1rdu s SER 18 Cb -0.13 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1rdu s SER 18 CO 0.20 0.23 1.79 0.47 1.20 0.00 0.00 173.24 177.14 1rdu n ASP 19 N 3.14 4.85 -2.97 5.45 8.00 -1.26 -4.49 116.55 129.26 1rdu n ASP 19 Ca -0.17 -2.30 0.03 0.00 0.71 0.00 0.00 54.79 53.05 1rdu n ASP 19 Cb 0.53 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 0.05 0.26 0.09 -1.24 1.70 -1.22 -4.18 118.95 114.42 1rdu s ARG 20 Ca 0.00 0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 54.99 1rdu s ARG 20 Cb 0.00 0.06 -0.12 0.00 -0.57 0.00 0.00 34.95 34.32 1rdu s ARG 20 CO 0.00 -0.42 1.48 0.35 -1.08 0.00 0.00 175.30 175.63 1rdu h PHE 21 N 6.39 -1.36 0.00 5.89 3.57 -1.37 -2.74 116.94 127.32 1rdu h PHE 21 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rdu h PHE 21 Cb 1.21 0.59 0.00 0.00 2.79 0.00 0.00 35.95 40.54 1rdu h PHE 21 CO -0.06 -0.50 0.00 0.00 -2.23 0.00 0.00 178.31 175.52 1rdu n ALA 22 N -2.90 2.27 -3.06 2.41 0.00 -1.26 -2.33 120.51 115.65 1rdu n ALA 22 Ca -0.06 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1rdu n ALA 22 Cb 0.34 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1rdu n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rdu n ARG 23 N -1.04 1.71 -3.21 0.00 5.12 -1.05 -4.80 116.66 113.39 1rdu n ARG 23 Ca 0.15 -3.83 -0.21 0.00 -1.93 0.00 0.00 57.85 52.03 1rdu n ARG 23 Cb 0.09 -1.84 0.05 0.00 -1.16 0.00 0.00 32.46 29.60 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 -2.81 4.70 -0.00 7.54 0.00 -0.98 -4.74 121.76 125.46 1rdu s ALA 24 Ca 0.42 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1rdu s ALA 24 Cb 0.34 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1rdu s ALA 24 CO -0.09 -0.85 0.00 0.39 0.00 0.00 0.00 175.76 175.21 1rdu n GLU 25 N -2.20 0.01 -3.88 0.00 1.02 -0.57 -4.44 120.64 110.58 1rdu n GLU 25 Ca 0.13 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1rdu n GLU 25 Cb 0.62 -1.00 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 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 -2.01 0.01 -0.33 -0.32 2.02 -0.95 -0.95 117.35 114.83 1rdu s TYR 26 Ca -0.00 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1rdu s TYR 26 Cb 0.00 -0.03 0.10 0.00 -0.40 0.00 0.00 41.96 41.63 1rdu s TYR 26 CO 0.00 -0.13 0.08 -0.06 -1.57 0.00 0.00 175.55 173.88 1rdu s PHE 27 N -0.58 2.68 -0.20 2.71 0.08 0.33 -0.46 117.98 122.54 1rdu s PHE 27 Ca -0.07 -2.35 -0.28 0.00 0.12 0.00 0.00 56.93 54.35 1rdu s PHE 27 Cb -0.04 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 1rdu s PHE 27 CO 0.00 -0.91 1.00 0.42 -0.10 0.00 0.00 175.22 175.63 1rdu s ILE 28 N 1.24 4.73 -0.27 0.64 -1.09 -0.86 -1.25 121.20 124.36 1rdu s ILE 28 Ca 0.11 1.96 -0.06 0.00 -2.23 0.00 0.00 60.65 60.43 1rdu s ILE 28 Cb -0.18 -4.28 -0.00 0.00 -1.58 0.00 0.00 42.46 36.41 1rdu s ILE 28 CO -0.17 -0.11 0.05 -0.63 -1.23 0.00 0.00 174.94 172.85 1rdu s ILE 29 N 2.81 3.88 -0.17 2.92 1.01 -0.41 -0.57 121.20 130.68 1rdu s ILE 29 Ca 0.44 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1rdu s ILE 29 Cb -0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1rdu s ILE 29 CO 0.09 0.21 0.07 -0.47 0.00 0.00 0.00 174.94 174.85 1rdu s TYR 30 N 1.52 3.29 -0.18 3.97 5.04 -0.61 -1.61 117.35 128.77 1rdu s TYR 30 Ca 0.04 0.15 -0.26 0.00 -2.44 0.00 0.00 57.07 54.56 1rdu s TYR 30 Cb -0.16 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.08 1rdu s TYR 30 CO 0.01 0.24 0.89 -0.51 -1.34 0.00 0.00 175.55 174.84 1rdu s ASP 31 N 0.18 7.00 -0.29 4.32 1.01 -0.08 -1.88 116.67 126.94 1rdu s ASP 31 Ca 0.05 1.24 -0.02 0.00 0.71 0.00 0.00 52.55 54.54 1rdu s ASP 31 Cb -0.12 -2.48 0.14 0.00 1.01 0.00 0.00 42.92 41.47 1rdu s ASP 31 CO 0.00 -0.47 2.22 0.35 0.21 0.00 0.00 175.17 177.49 1rdu n THR 32 N 4.88 2.79 0.00 -1.27 -2.24 -1.25 -3.46 114.28 113.73 1rdu n THR 32 Ca 0.06 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 1rdu n THR 32 Cb 0.48 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.67 0.00 -1.11 -0.78 -0.58 -1.26 -4.68 120.64 112.90 1rdu n GLU 33 Ca 0.30 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.79 1rdu n GLU 33 Cb 0.58 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.53 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1rdu n SER 34 N 0.00 6.46 0.00 1.62 2.88 -1.26 -4.81 113.62 118.51 1rdu n SER 34 Ca 0.00 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.09 1rdu n SER 34 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 -0.48 0.00 3.76 0.46 0.00 -1.22 -4.90 105.19 102.80 1rdu n GLY 35 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.02 7.08 0.19 1.61 3.84 -1.26 -4.67 114.94 120.70 1rdu s ASN 36 Ca 0.00 2.33 0.11 0.00 0.21 0.00 0.00 52.86 55.51 1rdu s ASN 36 Cb 0.00 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 38.03 1rdu s ASN 36 CO 0.00 -0.28 -0.24 -0.69 -2.79 0.00 0.00 177.10 173.10 1rdu s VAL 37 N -1.22 2.33 -0.05 -5.21 1.01 -1.26 -0.90 120.40 115.10 1rdu s VAL 37 Ca 0.47 -2.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 1rdu s VAL 37 Cb -0.32 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1rdu s VAL 37 CO 0.42 -0.13 0.10 -0.70 0.00 0.00 0.00 175.10 174.78 1rdu s GLU 38 N -2.68 0.03 -0.29 2.72 2.56 -0.63 -4.98 118.70 115.41 1rdu s GLU 38 Ca 0.21 0.31 -0.21 0.00 0.00 0.00 0.00 54.97 55.27 1rdu s GLU 38 Cb -0.08 -0.23 -0.01 0.00 2.00 0.00 0.00 34.13 35.81 1rdu s GLU 38 CO 0.10 -0.19 0.69 0.08 -0.56 0.00 0.00 175.26 175.38 1rdu s VAL 39 N 1.27 4.89 0.13 3.70 1.01 -1.26 -1.29 120.40 128.86 1rdu s VAL 39 Ca -0.07 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1rdu s VAL 39 Cb -0.12 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1rdu s VAL 39 CO -0.05 -0.15 0.64 -0.69 0.00 0.00 0.00 175.10 174.86 1rdu s VAL 40 N 2.72 4.65 0.01 2.92 1.01 -0.38 -4.96 120.40 126.36 1rdu s VAL 40 Ca 0.28 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.43 1rdu s VAL 40 Cb -0.15 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1rdu s VAL 40 CO 0.11 0.43 0.33 -0.70 0.00 0.00 0.00 175.10 175.28 1rdu s GLU 41 N -1.41 3.71 -0.23 2.72 2.12 -1.26 -0.51 118.70 123.84 1rdu s GLU 41 Ca 0.34 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.76 1rdu s GLU 41 Cb -0.19 -3.10 0.12 0.00 0.26 0.00 0.00 34.13 31.21 1rdu s GLU 41 CO 0.21 0.65 0.41 1.21 -0.54 0.00 0.00 175.26 177.20 1rdu s ASN 42 N -1.47 -0.07 -0.85 -1.70 3.84 -0.12 -4.90 114.94 109.67 1rdu s ASN 42 Ca 0.27 0.60 -0.01 0.00 0.21 0.00 0.00 52.86 53.92 1rdu s ASN 42 Cb -0.14 1.28 0.35 0.00 -0.55 0.00 0.00 41.25 42.19 1rdu s ASN 42 CO 0.14 -0.27 1.91 0.35 -2.79 0.00 0.00 177.10 176.45 1rdu n THR 43 N 5.38 4.00 -2.56 -5.21 -2.24 -1.26 -4.18 114.28 108.21 1rdu n THR 43 Ca -0.06 -4.69 -0.42 0.00 -2.27 0.00 0.00 64.05 56.61 1rdu n THR 43 Cb 0.50 -1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 -4.96 4.05 -0.41 2.28 -0.00 -1.26 -4.81 121.20 116.10 1rdu s ILE 44 Ca 0.49 0.98 0.10 0.00 -0.00 0.00 0.00 60.65 62.22 1rdu s ILE 44 Cb 0.39 -4.65 0.33 0.00 -0.00 0.00 0.00 42.46 38.53 1rdu s ILE 44 CO -0.34 -1.21 0.86 0.00 -0.00 0.00 0.00 174.94 174.25 1rdu n ALA 45 N 8.38 0.93 -3.04 2.27 0.00 -1.26 -4.89 120.51 122.90 1rdu n ALA 45 Ca 0.10 -2.66 -0.12 0.00 0.00 0.00 0.00 53.44 50.77 1rdu n ALA 45 Cb 0.49 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.94 -0.06 -0.26 0.00 2.15 -1.26 -5.10 116.67 110.20 1rdu s ASP 46 Ca 0.33 -0.17 0.22 0.00 0.43 0.00 0.00 52.55 53.35 1rdu s ASP 46 Cb 0.32 0.29 0.49 0.00 -0.30 0.00 0.00 42.92 43.72 1rdu s ASP 46 CO -0.08 -0.50 1.18 0.00 -0.17 0.00 0.00 175.17 175.60 1rdu n ALA 47 N 0.97 2.63 1.49 3.66 0.00 -1.26 -4.93 120.51 123.08 1rdu n ALA 47 Ca -0.20 -2.47 0.15 0.00 0.00 0.00 0.00 53.44 50.91 1rdu n ALA 47 Cb 0.58 -0.86 0.76 0.00 0.00 0.00 0.00 19.45 19.92 1rdu n ALA 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1rdu n HIS 48 N -0.71 0.00 -1.09 0.00 -0.00 -1.26 -4.92 115.22 107.25 1rdu n HIS 48 Ca 0.03 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.18 1rdu n HIS 48 Cb 0.82 -0.23 -0.01 0.00 -0.12 0.00 0.00 29.99 30.44 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rdu n GLY 49 N 1.25 0.61 3.31 1.57 0.00 -1.26 -5.00 105.19 105.67 1rdu n GLY 49 Ca 0.15 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1rdu n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rdu s THR 50 N -2.01 4.85 0.28 2.61 2.01 -1.26 -5.03 115.64 117.09 1rdu s THR 50 Ca 0.00 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1rdu s THR 50 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1rdu s THR 50 CO 0.00 -0.68 0.00 0.61 -0.69 0.00 0.00 174.62 173.86 1rdu n GLY 51 N 5.11 -2.26 0.05 4.40 0.00 -1.26 -4.81 105.19 106.42 1rdu n GLY 51 Ca -0.12 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.82 0.00 0.00 1.61 0.13 -1.96 -3.47 132.00 127.48 1rdu h PRO 52 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1rdu h PRO 52 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1rdu h PRO 52 CO 0.03 0.05 0.00 1.17 -0.23 0.00 0.00 178.00 179.01 1rdu n LYS 53 N -4.77 0.00 0.24 0.86 4.81 -1.26 -4.35 118.16 113.69 1rdu n LYS 53 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.33 1rdu n LYS 53 Cb 0.03 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.41 3.15 3.04 -1.98 -0.73 116.25 119.32 1rdu h VAL 54 Ca 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1rdu h VAL 54 Cb 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.19 1rdu h VAL 54 CO 0.00 0.00 -0.26 0.58 -1.01 0.00 0.00 177.57 176.88 1rdu h VAL 55 N -0.64 0.32 -0.68 1.51 2.07 -1.95 -0.52 116.25 116.35 1rdu h VAL 55 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1rdu h VAL 55 Cb 0.50 0.32 -0.13 0.00 -1.52 0.00 0.00 31.29 30.46 1rdu h VAL 55 CO 0.09 0.00 -0.33 1.56 0.02 0.00 0.00 177.57 178.91 1rdu h GLN 56 N -0.19 -0.11 -0.12 1.57 1.08 -1.79 0.77 115.11 116.33 1rdu h GLN 56 Ca 0.19 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1rdu h GLN 56 Cb 0.49 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1rdu h GLN 56 CO -0.52 -0.07 -0.13 1.03 -0.95 0.00 0.00 178.83 178.19 1rdu h SER 57 N -0.11 0.32 -0.58 1.46 0.87 -0.36 -2.01 113.55 113.14 1rdu h SER 57 Ca 0.27 -0.49 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1rdu h SER 57 Cb 0.56 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1rdu h SER 57 CO -0.75 0.75 0.00 -0.07 -0.53 0.00 0.00 176.83 176.24 1rdu h LEU 58 N -0.10 1.01 -0.84 2.23 3.38 -0.46 -1.76 115.31 118.76 1rdu h LEU 58 Ca 0.02 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1rdu h LEU 58 Cb 0.67 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1rdu h LEU 58 CO 0.03 1.07 0.52 0.58 0.09 0.00 0.00 178.44 180.73 1rdu h VAL 59 N 0.92 1.03 -0.42 1.22 2.07 -0.92 -1.27 116.25 118.88 1rdu h VAL 59 Ca 0.17 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1rdu h VAL 59 Cb 0.55 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1rdu h VAL 59 CO 0.03 0.17 0.31 -1.28 0.02 0.00 0.00 177.57 176.82 1rdu h SER 60 N 0.94 0.00 -0.97 0.57 0.87 -0.54 -1.76 113.55 112.66 1rdu h SER 60 Ca 0.37 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.29 1rdu h SER 60 Cb 0.18 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 61.84 1rdu h SER 60 CO -0.18 0.00 0.70 0.29 -0.53 0.00 0.00 176.83 177.11 1rdu n LYS 61 N -4.39 2.69 -1.42 2.24 5.02 -0.49 -4.91 118.16 116.90 1rdu n LYS 61 Ca 0.07 -3.32 -0.15 0.00 -2.02 0.00 0.00 58.31 52.89 1rdu n LYS 61 Cb 0.50 -2.27 -0.07 0.00 -0.02 0.00 0.00 35.03 33.18 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 1.46 3.62 0.72 0.00 -0.66 -4.93 105.19 104.47 1rdu n GLY 62 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.28 3.55 -0.23 1.61 1.01 -1.16 -3.61 120.40 119.29 1rdu s VAL 63 Ca 0.00 0.61 0.12 0.00 0.00 0.00 0.00 61.98 62.71 1rdu s VAL 63 Cb 0.00 -3.58 0.45 0.00 0.00 0.00 0.00 36.38 33.25 1rdu s VAL 63 CO 0.00 -0.26 1.19 -0.62 0.00 0.00 0.00 175.10 175.41 1rdu n GLU 64 N 7.87 2.37 -3.57 2.72 1.02 -0.78 -4.52 120.64 125.74 1rdu n GLU 64 Ca 0.20 -3.60 -0.11 0.00 -0.02 0.00 0.00 57.16 53.64 1rdu n GLU 64 Cb 0.45 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.17 -0.37 -0.12 -0.32 1.51 -0.95 -0.49 117.35 113.44 1rdu s TYR 65 Ca 0.42 0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.27 1rdu s TYR 65 Cb 0.38 0.54 0.11 0.00 -0.11 0.00 0.00 41.96 42.88 1rdu s TYR 65 CO -0.03 -0.92 0.90 -1.17 -1.11 0.00 0.00 175.55 173.22 1rdu s LEU 66 N -2.81 -0.45 -0.34 -1.29 2.96 -0.33 -2.29 118.68 114.13 1rdu s LEU 66 Ca 0.04 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1rdu s LEU 66 Cb -0.02 2.07 0.10 0.00 0.50 0.00 0.00 46.19 48.84 1rdu s LEU 66 CO -0.07 -0.44 0.06 -0.63 -1.32 0.00 0.00 176.35 173.95 1rdu s ILE 67 N -1.30 2.08 -0.25 6.68 1.01 -0.40 -0.06 121.20 128.97 1rdu s ILE 67 Ca -0.04 -2.24 -0.04 0.00 0.00 0.00 0.00 60.65 58.33 1rdu s ILE 67 Cb -0.00 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 40.06 1rdu s ILE 67 CO 0.03 -0.62 0.45 0.00 0.00 0.00 0.00 174.94 174.80 1rdu s ALA 68 N 0.97 -1.42 0.52 9.38 0.00 0.47 -4.09 121.76 127.60 1rdu s ALA 68 Ca 0.11 1.35 0.28 0.00 0.00 0.00 0.00 51.96 53.70 1rdu s ALA 68 Cb -0.19 -1.70 1.41 0.00 0.00 0.00 0.00 23.12 22.65 1rdu s ALA 68 CO -0.10 -1.13 1.93 0.66 0.00 0.00 0.00 175.76 177.12 1rdu h SER 69 N 8.13 0.04 -5.03 0.00 4.64 -1.75 -3.38 113.55 116.20 1rdu h SER 69 Ca -0.19 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1rdu h SER 69 Cb 1.14 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1rdu h SER 69 CO 0.22 0.02 0.25 0.20 -0.87 0.00 0.00 176.83 176.65 1rdu s ASN 70 N -5.85 -0.26 0.16 4.97 -0.87 -1.26 -4.79 114.94 107.04 1rdu s ASN 70 Ca -0.05 -0.58 -0.00 0.00 -1.57 0.00 0.00 52.86 50.65 1rdu s ASN 70 Cb 0.21 0.71 -0.04 0.00 -0.02 0.00 0.00 41.25 42.11 1rdu s ASN 70 CO 0.76 -1.31 0.34 0.54 -2.57 0.00 0.00 177.10 174.86 1rdu s VAL 71 N -3.87 5.26 0.11 1.60 0.11 -1.26 -1.17 120.40 121.18 1rdu s VAL 71 Ca 0.11 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 1rdu s VAL 71 Cb -0.06 -3.71 -0.15 0.00 -1.53 0.00 0.00 36.38 30.93 1rdu s VAL 71 CO 0.06 -0.09 1.32 1.23 -3.33 0.00 0.00 175.10 174.30 1rdu h GLY 72 N 2.25 0.83 0.00 6.54 0.00 -1.87 -3.43 103.07 107.39 1rdu h GLY 72 Ca -0.48 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 45.69 1rdu h GLY 72 CO 0.70 1.04 0.00 -2.13 0.00 0.00 0.00 176.54 176.15 1rdu n ARG 73 N -3.92 -0.09 -0.67 4.80 0.63 -1.26 -4.94 116.66 111.20 1rdu n ARG 73 Ca -0.07 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.68 1rdu n ARG 73 Cb 0.74 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.59 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 0.02 0.11 0.00 6.15 5.15 -1.26 -4.24 115.26 121.19 1rdu n ASN 74 Ca 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1rdu n ASN 74 Cb 0.00 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rdu n ALA 75 N 4.65 0.00 -0.32 5.20 0.00 -1.26 -4.91 120.51 123.87 1rdu n ALA 75 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.77 1rdu n ALA 75 Cb 0.01 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.68 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 1.09 0.00 0.00 3.57 -2.00 0.84 116.94 120.45 1rdu h PHE 76 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1rdu h PHE 76 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1rdu h PHE 76 CO 0.00 0.58 -0.23 0.93 -2.23 0.00 0.00 178.31 177.36 1rdu h GLU 77 N 1.08 0.00 0.00 1.11 4.39 -1.94 -1.71 114.58 117.51 1rdu h GLU 77 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1rdu h GLU 77 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1rdu h GLU 77 CO -0.15 0.23 -0.40 1.15 -1.16 0.00 0.00 179.01 178.68 1rdu h THR 78 N 0.00 0.00 0.56 1.13 2.02 -1.45 -2.87 112.91 112.30 1rdu h THR 78 Ca -0.00 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1rdu h THR 78 Cb 0.65 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1rdu h THR 78 CO 0.03 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.58 1rdu h LEU 79 N 0.00 -0.63 -1.74 2.58 3.38 0.02 -3.00 115.31 115.92 1rdu h LEU 79 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1rdu h LEU 79 Cb 0.91 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1rdu h LEU 79 CO 0.00 -0.31 0.39 0.07 0.09 0.00 0.00 178.44 178.67 1rdu h LYS 80 N -1.03 0.28 -0.92 1.13 2.10 -1.64 -1.05 116.57 115.44 1rdu h LYS 80 Ca -0.08 -0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.68 1rdu h LYS 80 Cb 0.57 -0.06 -0.09 0.00 -0.90 0.00 0.00 32.23 31.75 1rdu h LYS 80 CO 0.13 0.19 0.54 0.00 -2.00 0.00 0.00 179.45 178.30 1rdu h ALA 81 N 1.72 1.38 -0.87 0.07 0.00 -1.42 -0.60 119.26 119.53 1rdu h ALA 81 Ca 0.27 0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.68 1rdu h ALA 81 Cb 0.65 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.05 1rdu h ALA 81 CO -0.06 0.10 0.70 0.00 0.00 0.00 0.00 179.25 179.99 1rdu n ALA 82 N -2.37 5.76 -2.30 0.00 0.00 -0.56 -4.91 120.51 116.13 1rdu n ALA 82 Ca 0.17 -2.85 -0.06 0.00 0.00 0.00 0.00 53.44 50.69 1rdu n ALA 82 Cb 0.37 -1.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.72 -0.35 3.67 0.00 0.00 -0.23 -4.89 105.19 102.67 1rdu n GLY 83 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.22 4.95 0.64 1.61 1.01 -0.51 -4.83 120.40 121.05 1rdu s VAL 84 Ca 0.00 1.42 -0.11 0.00 0.00 0.00 0.00 61.98 63.29 1rdu s VAL 84 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1rdu s VAL 84 CO 0.00 0.07 1.04 -0.75 0.00 0.00 0.00 175.10 175.46 1rdu s LYS 85 N 2.02 3.40 0.04 2.72 2.20 0.36 -4.00 119.74 126.48 1rdu s LYS 85 Ca 0.34 0.83 0.03 0.00 -0.36 0.00 0.00 55.97 56.81 1rdu s LYS 85 Cb -0.16 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1rdu s LYS 85 CO 0.11 -0.73 -0.08 0.08 -0.36 0.00 0.00 175.35 174.37 1rdu s VAL 86 N -3.10 0.61 0.21 4.02 1.01 -1.26 -1.19 120.40 120.70 1rdu s VAL 86 Ca 0.56 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.70 1rdu s VAL 86 Cb -0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1rdu s VAL 86 CO 0.53 -0.26 -0.18 -0.31 0.00 0.00 0.00 175.10 174.88 1rdu s TYR 87 N -1.12 2.40 0.37 5.22 1.51 0.91 -1.29 117.35 125.36 1rdu s TYR 87 Ca -0.06 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 1rdu s TYR 87 Cb -0.08 -1.14 -0.10 0.00 -0.11 0.00 0.00 41.96 40.52 1rdu s TYR 87 CO 0.01 0.56 0.97 0.50 -1.11 0.00 0.00 175.55 176.48 1rdu s ARG 88 N -2.95 4.37 0.34 -0.62 6.06 0.68 -0.40 118.95 126.44 1rdu s ARG 88 Ca 0.24 1.31 0.07 0.00 -2.50 0.00 0.00 55.73 54.86 1rdu s ARG 88 Cb -0.07 -2.55 -0.07 0.00 0.06 0.00 0.00 34.95 32.32 1rdu s ARG 88 CO 0.13 0.08 -0.04 0.12 -2.50 0.00 0.00 175.30 173.09 1rdu s PHE 89 N -1.79 2.24 -0.43 5.12 2.19 -1.26 -3.97 117.98 120.07 1rdu s PHE 89 Ca 0.56 -0.67 0.08 0.00 0.33 0.00 0.00 56.93 57.23 1rdu s PHE 89 Cb -0.17 -1.39 0.33 0.00 -1.31 0.00 0.00 43.02 40.48 1rdu s PHE 89 CO 0.21 0.38 1.01 -1.91 1.83 0.00 0.00 175.22 176.74 1rdu n GLU 90 N -0.76 1.00 0.00 10.12 2.13 -1.26 -4.29 120.64 127.59 1rdu n GLU 90 Ca -0.05 -2.34 0.00 0.00 0.66 0.00 0.00 57.16 55.43 1rdu n GLU 90 Cb 0.65 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 31.13 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 0.35 3.29 0.00 8.31 0.00 -1.26 -5.19 105.19 110.70 1rdu n GLY 91 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.26 2.51 3.96 -0.02 0.00 -1.26 -4.91 105.19 105.74 1rdu n GLY 92 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 2.21 0.36 2.61 -4.23 -1.26 -1.98 115.64 111.34 1rdu s THR 93 Ca 0.00 -0.39 0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1rdu s THR 93 Cb 0.00 -2.81 0.35 0.00 1.34 0.00 0.00 72.50 71.38 1rdu s THR 93 CO 0.00 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.41 1rdu h VAL 94 N -0.70 0.54 -0.23 2.29 2.07 -0.85 -0.30 116.25 119.07 1rdu h VAL 94 Ca -0.41 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1rdu h VAL 94 Cb 1.28 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rdu h VAL 94 CO 0.47 0.09 -0.18 -0.61 0.02 0.00 0.00 177.57 177.35 1rdu h GLN 95 N 0.50 0.40 -0.34 1.57 4.15 -1.38 -3.05 115.11 116.96 1rdu h GLN 95 Ca 0.62 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.78 1rdu h GLN 95 Cb 1.35 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1rdu h GLN 95 CO -0.39 0.57 -0.31 0.93 -1.93 0.00 0.00 178.83 177.71 1rdu h GLU 96 N 0.36 0.80 -0.97 1.69 4.39 -1.37 0.11 114.58 119.59 1rdu h GLU 96 Ca 0.06 -0.41 0.32 0.00 0.34 0.00 0.00 59.36 59.67 1rdu h GLU 96 Cb 0.53 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.03 1rdu h GLU 96 CO 0.03 1.05 0.40 0.00 -1.16 0.00 0.00 179.01 179.33 1rdu h ALA 97 N 0.74 1.73 0.02 3.43 0.00 -1.35 0.19 119.26 124.03 1rdu h ALA 97 Ca 0.06 0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.98 1rdu h ALA 97 Cb 0.88 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1rdu h ALA 97 CO 0.08 -0.66 -1.28 0.82 0.00 0.00 0.00 179.25 178.21 1rdu h ILE 98 N 0.16 0.94 -0.04 0.00 1.08 -1.40 -1.75 117.51 116.49 1rdu h ILE 98 Ca 0.70 -2.21 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 1rdu h ILE 98 Cb 1.64 2.33 -0.00 0.00 -3.07 0.00 0.00 36.82 37.72 1rdu h ILE 98 CO -0.71 0.41 0.05 0.44 -0.69 0.00 0.00 178.15 177.64 1rdu h ASP 99 N -0.85 0.00 0.00 1.72 5.19 -0.61 0.43 116.42 122.30 1rdu h ASP 99 Ca -0.34 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1rdu h ASP 99 Cb 1.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 1rdu h ASP 99 CO -0.16 0.00 -0.12 0.00 -3.12 0.00 0.00 179.24 175.85 1rdu h ALA 100 N 1.93 0.01 -0.60 3.45 0.00 -0.70 -3.30 119.26 120.05 1rdu h ALA 100 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1rdu h ALA 100 Cb 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1rdu h ALA 100 CO -0.00 0.09 0.33 0.35 0.00 0.00 0.00 179.25 180.02 1rdu h PHE 101 N -1.00 0.60 0.07 0.00 3.57 -0.77 0.17 116.94 119.58 1rdu h PHE 101 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rdu h PHE 101 Cb 0.34 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1rdu h PHE 101 CO 0.04 0.30 -0.03 0.66 -2.23 0.00 0.00 178.31 177.04 1rdu h SER 102 N 0.62 -0.08 -0.30 0.41 4.64 -0.35 -1.33 113.55 117.17 1rdu h SER 102 Ca 0.26 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 1rdu h SER 102 Cb 0.15 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.17 1rdu h SER 102 CO -0.16 0.04 0.23 -0.62 -0.87 0.00 0.00 176.83 175.45 1rdu n GLU 103 N -5.08 1.44 -1.78 4.77 -0.58 -1.18 -4.85 120.64 113.38 1rdu n GLU 103 Ca -0.08 -0.94 -0.07 0.00 -0.42 0.00 0.00 57.16 55.65 1rdu n GLU 103 Cb 0.11 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 0.16 2.23 0.62 0.00 -0.50 -4.83 105.19 103.32 1rdu n GLY 104 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.03 2.46 -4.26 1.61 1.74 0.56 -4.90 116.66 111.85 1rdu n ARG 105 Ca -0.08 -2.96 -0.14 0.00 -0.77 0.00 0.00 57.85 53.90 1rdu n ARG 105 Cb 0.39 -2.16 -0.10 0.00 -1.02 0.00 0.00 32.46 29.57 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 2.06 -0.09 0.55 1.43 -1.25 -4.71 118.68 113.27 1rdu s LEU 106 Ca 0.58 -1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1rdu s LEU 106 Cb 0.46 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.58 1rdu s LEU 106 CO 0.02 -0.58 -0.04 -1.61 0.23 0.00 0.00 176.35 174.36 1rdu s GLU 107 N -3.92 2.96 -0.72 1.70 2.02 -1.25 -4.95 118.70 114.53 1rdu s GLU 107 Ca 0.26 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.49 1rdu s GLU 107 Cb 0.06 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.61 1rdu s GLU 107 CO 0.06 0.62 1.29 -2.00 0.02 0.00 0.00 175.26 175.24 1rdu s GLU 108 N -0.66 3.20 -1.35 1.61 2.12 -1.26 -0.23 118.70 122.12 1rdu s GLU 108 Ca 0.10 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 55.13 1rdu s GLU 108 Cb -0.12 -4.17 0.11 0.00 0.26 0.00 0.00 34.13 30.21 1rdu s GLU 108 CO 0.02 -2.13 1.98 -0.11 -0.54 0.00 0.00 175.26 174.48 1rdu n LEU 109 N 9.41 6.48 -1.84 2.70 7.94 -0.41 -4.82 117.00 136.46 1rdu n LEU 109 Ca 0.04 -4.35 -0.17 0.00 -1.11 0.00 0.00 56.01 50.42 1rdu n LEU 109 Cb 0.49 -1.59 0.07 0.00 0.53 0.00 0.00 43.42 42.92 1rdu n LEU 109 CO 0.71 1.11 1.11 0.35 -1.11 0.00 0.00 177.39 179.56 1rdu n THR 110 N 4.45 2.60 0.00 1.96 -2.24 -1.26 -4.74 114.28 115.05 1rdu n THR 110 Ca 0.46 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1rdu n THR 110 Cb 0.39 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1rdu n THR 110 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rdu n THR 111 N -0.13 0.00 -3.36 4.28 5.66 -1.26 -5.16 114.28 114.32 1rdu n THR 111 Ca 0.35 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1rdu n THR 111 Cb 0.86 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1rdu n THR 111 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1rdu n PHE 112 N -1.06 -0.59 -4.42 1.09 1.16 -1.26 -5.13 117.46 107.26 1rdu n PHE 112 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.36 1rdu n PHE 112 Cb 0.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.74 1rdu n PHE 112 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1rdu s THR 113 N -2.61 1.28 -0.38 1.97 2.01 -1.26 -5.11 115.64 111.54 1rdu s THR 113 Ca 0.00 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 60.96 1rdu s THR 113 Cb 0.00 -1.15 0.18 0.00 0.01 0.00 0.00 72.50 71.54 1rdu s THR 113 CO 0.00 0.05 0.70 -0.60 -0.69 0.00 0.00 174.62 174.07 1rdu s ARG 114 N -1.20 0.68 -1.35 4.92 6.06 -1.26 -5.07 118.95 121.73 1rdu s ARG 114 Ca 0.03 -0.12 -0.07 0.00 -2.50 0.00 0.00 55.73 53.07 1rdu s ARG 114 Cb -0.08 0.11 0.02 0.00 0.06 0.00 0.00 34.95 35.05 1rdu s ARG 114 CO 0.02 -1.01 2.68 -1.91 -2.50 0.00 0.00 175.30 172.58 1rdu n GLU 115 N 4.45 4.04 0.00 5.12 2.13 -1.26 -5.26 120.64 129.87 1rdu n GLU 115 Ca 0.09 -2.81 0.00 0.00 0.66 0.00 0.00 57.16 55.10 1rdu n GLU 115 Cb 0.58 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13