#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 -1.17 0.16 3.04 0.00 -1.26 -5.05 121.76 117.47 1rdu s ALA 2 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1rdu s ALA 2 Cb 0.00 0.88 -0.07 0.00 0.00 0.00 0.00 23.12 23.92 1rdu s ALA 2 CO 0.00 -0.92 1.02 1.03 0.00 0.00 0.00 175.76 176.89 1rdu s ARG 3 N -3.88 4.67 0.24 0.00 0.52 -1.26 -4.19 118.95 115.05 1rdu s ARG 3 Ca 0.09 1.58 0.10 0.00 -0.52 0.00 0.00 55.73 56.98 1rdu s ARG 3 Cb -0.04 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1rdu s ARG 3 CO 0.01 0.19 -0.06 0.54 0.02 0.00 0.00 175.30 176.00 1rdu s VAL 4 N -0.29 3.23 0.05 3.52 0.11 -1.13 -0.70 120.40 125.19 1rdu s VAL 4 Ca 0.47 -1.91 0.07 0.00 -2.93 0.00 0.00 61.98 57.68 1rdu s VAL 4 Cb -0.27 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 1rdu s VAL 4 CO 0.33 -0.30 -0.19 0.00 -3.33 0.00 0.00 175.10 171.60 1rdu s ALA 5 N -2.17 1.62 -0.14 1.54 0.00 -1.14 -2.76 121.76 118.71 1rdu s ALA 5 Ca 0.29 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1rdu s ALA 5 Cb -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1rdu s ALA 5 CO 0.18 0.35 -0.09 0.42 0.00 0.00 0.00 175.76 176.62 1rdu s ILE 6 N -0.84 1.24 -0.52 0.00 1.09 0.07 -1.34 121.20 120.90 1rdu s ILE 6 Ca 0.06 -0.53 -0.27 0.00 -1.10 0.00 0.00 60.65 58.81 1rdu s ILE 6 Cb -0.09 -1.28 -0.03 0.00 -1.06 0.00 0.00 42.46 40.01 1rdu s ILE 6 CO 0.02 0.31 1.93 -2.16 -0.10 0.00 0.00 174.94 174.94 1rdu s PRO 7 N 1.61 2.73 0.55 2.79 0.04 -1.26 -1.33 135.00 140.13 1rdu s PRO 7 Ca 0.03 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.06 1rdu s PRO 7 Cb -0.14 -4.37 0.06 0.00 0.04 0.00 0.00 34.50 30.09 1rdu s PRO 7 CO -0.09 -2.59 0.77 0.45 0.04 0.00 0.00 177.00 175.58 1rdu s SER 8 N 8.21 5.15 -0.27 6.66 0.15 0.21 -0.09 113.70 133.73 1rdu s SER 8 Ca 0.75 -0.38 0.10 0.00 0.70 0.00 0.00 55.95 57.12 1rdu s SER 8 Cb -0.16 -0.38 0.46 0.00 -1.71 0.00 0.00 66.02 64.23 1rdu s SER 8 CO 0.25 -1.23 1.18 1.33 1.20 0.00 0.00 173.24 175.97 1rdu n VAL 9 N -2.29 2.26 0.00 4.45 0.24 -0.86 -1.90 118.33 120.23 1rdu n VAL 9 Ca 0.11 -3.84 0.00 0.00 -2.04 0.00 0.00 64.34 58.57 1rdu n VAL 9 Cb 0.60 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.72 -0.35 2.20 7.63 0.00 -1.26 -4.86 105.19 107.83 1rdu n GLY 10 Ca 0.35 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.13 2.42 -4.05 1.61 5.02 -1.26 -4.82 118.16 116.95 1rdu n LYS 11 Ca 0.00 -2.81 -0.11 0.00 -2.02 0.00 0.00 58.31 53.38 1rdu n LYS 11 Cb 0.00 -2.10 -0.11 0.00 -0.02 0.00 0.00 35.03 32.80 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 -1.26 0.67 0.00 4.39 1.11 -1.26 -5.02 116.67 115.30 1rdu s ASP 12 Ca 0.55 -0.63 0.30 0.00 0.18 0.00 0.00 52.55 52.95 1rdu s ASP 12 Cb 0.44 0.08 1.79 0.00 1.07 0.00 0.00 42.92 46.29 1rdu s ASP 12 CO -0.00 -0.30 2.14 -0.11 1.18 0.00 0.00 175.17 178.07 1rdu n LEU 13 N 1.19 0.00 -2.21 1.23 -0.00 -1.26 -2.24 117.00 113.71 1rdu n LEU 13 Ca -0.21 0.02 -0.04 0.00 -0.00 0.00 0.00 56.01 55.78 1rdu n LEU 13 Cb 0.56 -0.02 0.05 0.00 -0.00 0.00 0.00 43.42 44.01 1rdu n LEU 13 CO 0.22 -0.00 0.08 -1.54 -0.00 0.00 0.00 177.39 176.15 1rdu n SER 14 N -1.02 2.28 -4.64 1.96 3.41 -1.26 -2.10 113.62 112.25 1rdu n SER 14 Ca 0.22 -2.59 -0.28 0.00 -0.26 0.00 0.00 58.87 55.96 1rdu n SER 14 Cb 0.11 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.39 4.13 0.23 4.04 0.01 -0.95 -4.80 113.70 112.98 1rdu s SER 15 Ca 0.35 0.41 -0.30 0.00 1.31 0.00 0.00 55.95 57.72 1rdu s SER 15 Cb 0.36 -0.79 -0.09 0.00 0.21 0.00 0.00 66.02 65.71 1rdu s SER 15 CO -0.05 -2.08 1.00 -0.04 0.41 0.00 0.00 173.24 172.48 1rdu s MET 16 N -5.54 4.76 0.63 12.44 -1.94 -1.26 -0.33 119.30 128.05 1rdu s MET 16 Ca 0.66 1.60 -0.16 0.00 -1.71 0.00 0.00 55.69 56.07 1rdu s MET 16 Cb -0.08 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 1rdu s MET 16 CO 0.49 0.36 1.12 0.08 -0.01 0.00 0.00 175.02 177.05 1rdu s VAL 17 N -0.96 3.20 0.18 -6.03 1.01 -0.79 -2.02 120.40 114.99 1rdu s VAL 17 Ca 0.43 0.61 0.11 0.00 0.00 0.00 0.00 61.98 63.13 1rdu s VAL 17 Cb -0.28 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1rdu s VAL 17 CO 0.35 -0.30 -0.21 -0.55 0.00 0.00 0.00 175.10 174.39 1rdu s SER 18 N -2.35 3.62 -0.52 3.32 0.15 0.87 -4.82 113.70 113.96 1rdu s SER 18 Ca 0.69 -0.78 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1rdu s SER 18 Cb -0.22 -0.36 0.53 0.00 -1.71 0.00 0.00 66.02 64.26 1rdu s SER 18 CO 0.38 0.13 1.86 0.47 1.20 0.00 0.00 173.24 177.27 1rdu n ASP 19 N 0.31 5.64 -3.15 5.45 8.00 -1.26 -4.45 116.55 127.09 1rdu n ASP 19 Ca -0.13 -3.73 0.04 0.00 0.71 0.00 0.00 54.79 51.68 1rdu n ASP 19 Cb 0.55 -0.84 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1rdu n ASP 19 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rdu s ARG 20 N -3.58 0.51 0.11 -1.24 0.52 -1.24 -4.20 118.95 109.82 1rdu s ARG 20 Ca 0.59 0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 56.28 1rdu s ARG 20 Cb 0.48 0.41 -0.09 0.00 0.52 0.00 0.00 34.95 36.27 1rdu s ARG 20 CO 0.03 -0.69 1.61 0.35 0.02 0.00 0.00 175.30 176.62 1rdu h PHE 21 N 7.97 -0.97 0.00 -0.53 3.57 -1.57 -2.25 116.94 123.16 1rdu h PHE 21 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 21 Cb 1.17 0.41 0.00 0.00 2.79 0.00 0.00 35.95 40.32 1rdu h PHE 21 CO 0.13 -0.46 0.00 0.00 -2.23 0.00 0.00 178.31 175.75 1rdu n ALA 22 N -2.74 2.21 -2.16 2.41 0.00 -1.26 -3.20 120.51 115.77 1rdu n ALA 22 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1rdu n ALA 22 Cb 0.35 -1.39 0.04 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 -1.31 3.00 -2.67 0.00 5.12 -0.92 -4.83 116.66 115.05 1rdu n ARG 23 Ca 0.11 -3.92 -0.23 0.00 -1.93 0.00 0.00 57.85 51.87 1rdu n ARG 23 Cb 0.20 -2.04 0.11 0.00 -1.16 0.00 0.00 32.46 29.57 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 -3.53 3.88 0.00 7.54 0.00 -0.89 -4.73 121.76 124.02 1rdu s ALA 24 Ca 0.45 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1rdu s ALA 24 Cb 0.39 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1rdu s ALA 24 CO 0.01 -1.44 0.00 0.39 0.00 0.00 0.00 175.76 174.72 1rdu n GLU 25 N -2.78 1.45 -3.86 0.00 1.02 -0.85 -4.09 120.64 111.53 1rdu n GLU 25 Ca 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1rdu n GLU 25 Cb 0.61 -0.89 -0.08 0.00 -0.02 0.00 0.00 31.44 31.06 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 -1.76 0.10 -0.25 -0.32 1.51 -0.80 -0.55 117.35 115.28 1rdu s TYR 26 Ca 0.00 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1rdu s TYR 26 Cb 0.00 -0.06 0.08 0.00 -0.11 0.00 0.00 41.96 41.87 1rdu s TYR 26 CO 0.00 -0.45 0.06 -0.06 -1.11 0.00 0.00 175.55 173.99 1rdu s PHE 27 N -2.91 1.42 -0.25 2.71 0.08 0.64 -0.62 117.98 119.06 1rdu s PHE 27 Ca -0.02 -1.32 -0.29 0.00 0.12 0.00 0.00 56.93 55.42 1rdu s PHE 27 Cb 0.01 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 1rdu s PHE 27 CO -0.06 -0.75 1.04 0.42 -0.10 0.00 0.00 175.22 175.78 1rdu s ILE 28 N 1.72 4.65 -0.33 0.64 -1.09 -0.44 -0.78 121.20 125.57 1rdu s ILE 28 Ca 0.03 1.97 -0.05 0.00 -2.23 0.00 0.00 60.65 60.38 1rdu s ILE 28 Cb -0.17 -4.33 0.05 0.00 -1.58 0.00 0.00 42.46 36.43 1rdu s ILE 28 CO -0.16 -0.23 0.07 -0.63 -1.23 0.00 0.00 174.94 172.76 1rdu s ILE 29 N 3.28 3.47 -0.43 2.92 1.01 -0.18 -0.75 121.20 130.51 1rdu s ILE 29 Ca 0.44 -1.27 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1rdu s ILE 29 Cb -0.14 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.36 1rdu s ILE 29 CO 0.08 -0.18 0.39 -0.47 0.00 0.00 0.00 174.94 174.76 1rdu s TYR 30 N 1.33 3.20 -0.67 3.97 5.04 -1.11 -1.20 117.35 127.91 1rdu s TYR 30 Ca -0.03 -0.57 -0.27 0.00 -2.44 0.00 0.00 57.07 53.76 1rdu s TYR 30 Cb -0.20 -2.86 0.03 0.00 0.35 0.00 0.00 41.96 39.28 1rdu s TYR 30 CO 0.01 -0.70 1.30 -0.51 -1.34 0.00 0.00 175.55 174.31 1rdu s ASP 31 N 1.95 6.20 0.00 4.32 1.11 -0.42 -2.85 116.67 126.97 1rdu s ASP 31 Ca 0.08 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1rdu s ASP 31 Cb -0.19 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1rdu s ASP 31 CO 0.11 -1.75 0.30 0.35 1.18 0.00 0.00 175.17 175.36 1rdu n THR 32 N 6.55 0.00 0.00 -1.27 -2.24 -1.26 -1.81 114.28 114.25 1rdu n THR 32 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1rdu n THR 32 Cb 0.49 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1rdu n THR 32 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rdu n GLU 33 N -0.04 0.96 -2.54 -0.78 2.13 -1.26 -4.65 120.64 114.47 1rdu n GLU 33 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1rdu n GLU 33 Cb 0.06 -0.93 0.08 0.00 0.27 0.00 0.00 31.44 30.93 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1rdu n SER 34 N -1.39 -0.37 -0.81 4.31 7.64 -1.19 -5.03 113.62 116.78 1rdu n SER 34 Ca 0.00 -2.13 -0.06 0.00 1.01 0.00 0.00 58.87 57.69 1rdu n SER 34 Cb 0.00 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.04 0.60 3.78 0.23 0.00 -0.75 -4.94 105.19 103.06 1rdu n GLY 35 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.51 7.03 -0.02 1.61 3.04 -1.22 -4.84 114.94 119.02 1rdu s ASN 36 Ca 0.00 2.01 0.05 0.00 0.04 0.00 0.00 52.86 54.96 1rdu s ASN 36 Cb 0.00 -2.59 -0.01 0.00 -1.54 0.00 0.00 41.25 37.11 1rdu s ASN 36 CO 0.00 -0.30 -0.16 -0.69 -3.04 0.00 0.00 177.10 172.91 1rdu s VAL 37 N -1.56 1.30 0.10 -5.21 1.01 -1.26 -1.31 120.40 113.47 1rdu s VAL 37 Ca 0.53 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1rdu s VAL 37 Cb -0.23 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1rdu s VAL 37 CO 0.29 0.37 -0.14 -0.70 0.00 0.00 0.00 175.10 174.92 1rdu s GLU 38 N -0.20 1.99 -0.37 2.72 2.56 -0.34 -4.95 118.70 120.11 1rdu s GLU 38 Ca 0.02 -1.07 -0.12 0.00 0.00 0.00 0.00 54.97 53.80 1rdu s GLU 38 Cb -0.08 -2.22 0.02 0.00 2.00 0.00 0.00 34.13 33.84 1rdu s GLU 38 CO 0.00 0.50 0.22 0.08 -0.56 0.00 0.00 175.26 175.51 1rdu s VAL 39 N -1.15 4.78 -0.02 3.70 1.01 -1.26 -1.01 120.40 126.44 1rdu s VAL 39 Ca 0.19 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1rdu s VAL 39 Cb -0.11 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1rdu s VAL 39 CO 0.11 -0.21 1.03 -0.69 0.00 0.00 0.00 175.10 175.35 1rdu s VAL 40 N 1.60 4.69 0.18 2.92 1.01 0.04 -4.95 120.40 125.89 1rdu s VAL 40 Ca 0.03 1.94 -0.25 0.00 0.00 0.00 0.00 61.98 63.71 1rdu s VAL 40 Cb -0.19 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 1rdu s VAL 40 CO 0.08 0.11 0.78 -0.70 0.00 0.00 0.00 175.10 175.36 1rdu s GLU 41 N 1.33 4.52 -0.29 2.72 2.12 -1.26 -0.26 118.70 127.58 1rdu s GLU 41 Ca 0.52 1.12 -0.03 0.00 0.36 0.00 0.00 54.97 56.95 1rdu s GLU 41 Cb -0.22 -3.18 0.11 0.00 0.26 0.00 0.00 34.13 31.10 1rdu s GLU 41 CO 0.25 0.53 0.19 -0.80 -0.54 0.00 0.00 175.26 174.90 1rdu s ASN 42 N -1.24 2.85 -0.92 -1.70 0.02 0.28 -4.89 114.94 109.35 1rdu s ASN 42 Ca 0.37 -1.10 -0.08 0.00 -1.02 0.00 0.00 52.86 51.04 1rdu s ASN 42 Cb -0.22 -0.03 -0.16 0.00 0.02 0.00 0.00 41.25 40.86 1rdu s ASN 42 CO 0.25 -0.42 3.18 0.35 0.02 0.00 0.00 177.10 180.49 1rdu n THR 43 N 5.27 3.67 -3.16 1.60 -2.24 -1.26 -4.10 114.28 114.05 1rdu n THR 43 Ca -0.04 -2.07 -0.33 0.00 -2.27 0.00 0.00 64.05 59.34 1rdu n THR 43 Cb 0.44 -2.33 -0.06 0.00 -2.10 0.00 0.00 70.33 66.27 1rdu n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1rdu s ILE 44 N 1.74 4.68 0.26 2.28 -1.09 -1.26 -5.08 121.20 122.73 1rdu s ILE 44 Ca 0.67 0.98 0.11 0.00 -2.23 0.00 0.00 60.65 60.18 1rdu s ILE 44 Cb 0.23 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.39 1rdu s ILE 44 CO -0.03 -0.07 -0.19 0.00 -1.23 0.00 0.00 174.94 173.41 1rdu s ALA 45 N -1.85 2.58 -0.22 9.38 0.00 -1.26 -4.87 121.76 125.53 1rdu s ALA 45 Ca 0.50 -1.82 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 1rdu s ALA 45 Cb -0.12 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 22.93 1rdu s ALA 45 CO 0.19 0.25 1.93 -3.47 0.00 0.00 0.00 175.76 174.65 1rdu n ASP 46 N -0.50 5.82 -4.80 0.00 2.03 -1.26 -4.88 116.55 112.95 1rdu n ASP 46 Ca -0.06 -2.84 -0.29 0.00 0.52 0.00 0.00 54.79 52.12 1rdu n ASP 46 Cb 0.60 -1.03 -0.05 0.00 -0.72 0.00 0.00 41.12 39.92 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rdu s ALA 47 N -1.28 4.08 1.05 -1.67 0.00 -1.26 -5.13 121.76 117.55 1rdu s ALA 47 Ca 0.22 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 1rdu s ALA 47 Cb 0.17 -0.33 0.22 0.00 0.00 0.00 0.00 23.12 23.18 1rdu s ALA 47 CO 0.00 -0.21 1.07 -1.01 0.00 0.00 0.00 175.76 175.61 1rdu s HIS 48 N -2.77 1.75 0.00 0.00 3.76 -1.26 -5.05 115.29 111.72 1rdu s HIS 48 Ca 0.25 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1rdu s HIS 48 Cb 0.01 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.52 1rdu s HIS 48 CO 0.14 -3.24 0.00 0.41 -0.85 0.00 0.00 174.74 171.20 1rdu n GLY 49 N -0.10 2.38 3.92 -2.22 0.00 -1.26 -5.08 105.19 102.83 1rdu n GLY 49 Ca 0.05 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1rdu n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rdu s THR 50 N -2.00 5.13 0.28 2.61 -4.23 -1.26 -5.04 115.64 111.13 1rdu s THR 50 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1rdu s THR 50 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1rdu s THR 50 CO 0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1rdu n GLY 51 N -0.92 -1.89 0.08 3.99 0.00 -1.26 -4.61 105.19 100.58 1rdu n GLY 51 Ca -0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.05 0.00 1.61 0.13 -1.96 -3.47 132.00 128.26 1rdu h PRO 52 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1rdu h PRO 52 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1rdu h PRO 52 CO 0.01 0.61 0.00 1.17 -0.23 0.00 0.00 178.00 179.56 1rdu n LYS 53 N -4.75 0.00 0.30 0.86 0.00 -1.26 -4.19 118.16 109.12 1rdu n LYS 53 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.10 1rdu n LYS 53 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.30 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1rdu h VAL 54 N 0.00 0.00 -0.33 3.15 3.04 -1.96 -1.37 116.25 118.78 1rdu h VAL 54 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 1rdu h VAL 54 Cb 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.22 1rdu h VAL 54 CO 0.00 0.00 -0.08 0.58 -1.01 0.00 0.00 177.57 177.06 1rdu h VAL 55 N -0.80 0.67 -1.05 1.51 2.07 -1.97 0.89 116.25 117.57 1rdu h VAL 55 Ca -0.08 -0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.73 1rdu h VAL 55 Cb 0.62 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1rdu h VAL 55 CO 0.11 0.00 0.65 1.56 0.02 0.00 0.00 177.57 179.91 1rdu h GLN 56 N 0.00 0.40 0.19 1.57 1.08 -1.82 0.10 115.11 116.63 1rdu h GLN 56 Ca 0.16 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1rdu h GLN 56 Cb 0.24 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1rdu h GLN 56 CO -0.34 0.26 -0.09 1.03 -0.95 0.00 0.00 178.83 178.74 1rdu h SER 57 N 0.41 -0.22 -0.62 1.46 0.87 0.26 -3.19 113.55 112.53 1rdu h SER 57 Ca 0.65 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 61.16 1rdu h SER 57 Cb 1.56 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.53 1rdu h SER 57 CO -0.41 0.29 0.36 -0.07 -0.53 0.00 0.00 176.83 176.47 1rdu h LEU 58 N -1.04 0.56 -0.66 2.23 3.38 -0.22 0.11 115.31 119.67 1rdu h LEU 58 Ca -0.03 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1rdu h LEU 58 Cb 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 1rdu h LEU 58 CO 0.04 0.38 0.27 0.58 0.09 0.00 0.00 178.44 179.80 1rdu h VAL 59 N 0.69 0.78 0.00 1.22 2.07 -1.20 0.81 116.25 120.62 1rdu h VAL 59 Ca 0.26 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1rdu h VAL 59 Cb 0.10 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1rdu h VAL 59 CO -0.14 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 176.34 1rdu n SER 60 N -4.96 0.00 -1.88 0.57 7.64 0.30 -0.86 113.62 114.43 1rdu n SER 60 Ca 0.10 -1.50 -0.21 0.00 1.01 0.00 0.00 58.87 58.27 1rdu n SER 60 Cb 0.29 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.53 1rdu n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rdu n LYS 61 N -0.63 3.40 -1.41 1.43 4.01 0.24 -5.00 118.16 120.19 1rdu n LYS 61 Ca 0.05 -4.07 -0.15 0.00 -0.51 0.00 0.00 58.31 53.63 1rdu n LYS 61 Cb 0.02 -2.21 -0.06 0.00 -0.51 0.00 0.00 35.03 32.27 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 -0.75 1.43 3.56 0.72 0.00 -0.04 -4.87 105.19 105.23 1rdu n GLY 62 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.25 3.13 -0.33 1.61 1.01 -0.95 -4.27 120.40 118.34 1rdu s VAL 63 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1rdu s VAL 63 Cb 0.00 -3.33 0.32 0.00 0.00 0.00 0.00 36.38 33.37 1rdu s VAL 63 CO 0.00 -0.27 1.81 -0.62 0.00 0.00 0.00 175.10 176.03 1rdu n GLU 64 N 8.80 1.87 0.00 2.72 -0.58 0.12 -4.71 120.64 128.86 1rdu n GLU 64 Ca 0.45 -1.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 1rdu n GLU 64 Cb 0.44 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1rdu n GLU 64 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1rdu n TYR 65 N -0.14 0.00 -3.56 -0.32 4.01 -1.13 -3.02 117.16 113.00 1rdu n TYR 65 Ca 0.36 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.97 1rdu n TYR 65 Cb 0.85 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.82 1rdu n TYR 65 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1rdu s LEU 66 N 0.00 -0.46 -0.31 7.72 2.96 -0.48 -2.87 118.68 125.24 1rdu s LEU 66 Ca 0.00 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1rdu s LEU 66 Cb 0.00 2.08 0.09 0.00 0.50 0.00 0.00 46.19 48.86 1rdu s LEU 66 CO 0.00 -0.44 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.96 1rdu s ILE 67 N -1.24 2.14 -0.16 6.68 1.01 -0.45 0.08 121.20 129.27 1rdu s ILE 67 Ca -0.04 -2.02 -0.06 0.00 0.00 0.00 0.00 60.65 58.53 1rdu s ILE 67 Cb -0.00 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 40.07 1rdu s ILE 67 CO 0.04 -0.40 0.33 0.00 0.00 0.00 0.00 174.94 174.91 1rdu s ALA 68 N 1.02 -0.81 0.42 9.38 0.00 0.08 -4.06 121.76 127.79 1rdu s ALA 68 Ca 0.04 1.19 0.15 0.00 0.00 0.00 0.00 51.96 53.33 1rdu s ALA 68 Cb -0.19 -1.12 1.02 0.00 0.00 0.00 0.00 23.12 22.83 1rdu s ALA 68 CO -0.08 -0.65 1.92 0.66 0.00 0.00 0.00 175.76 177.61 1rdu h SER 69 N 8.15 0.42 -5.01 0.00 4.64 -1.76 -3.37 113.55 116.61 1rdu h SER 69 Ca -0.17 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1rdu h SER 69 Cb 1.12 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1rdu h SER 69 CO 0.15 0.22 0.24 0.21 -0.87 0.00 0.00 176.83 176.78 1rdu s ASN 70 N -5.94 -0.25 0.06 4.97 3.84 -1.26 -4.66 114.94 111.70 1rdu s ASN 70 Ca -0.08 -0.62 -0.05 0.00 0.21 0.00 0.00 52.86 52.32 1rdu s ASN 70 Cb 0.21 0.73 -0.05 0.00 -0.55 0.00 0.00 41.25 41.59 1rdu s ASN 70 CO 0.77 -1.35 0.29 0.54 -2.79 0.00 0.00 177.10 174.56 1rdu s VAL 71 N -3.84 5.28 -0.06 -5.21 0.11 -1.26 -1.72 120.40 113.70 1rdu s VAL 71 Ca 0.11 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1rdu s VAL 71 Cb -0.06 -3.60 0.06 0.00 -1.53 0.00 0.00 36.38 31.26 1rdu s VAL 71 CO 0.07 0.23 1.44 0.61 -3.33 0.00 0.00 175.10 174.12 1rdu n GLY 72 N 0.67 2.49 7.00 6.54 0.00 -1.26 -4.52 105.19 116.11 1rdu n GLY 72 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1rdu n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rdu n ARG 73 N 0.66 0.00 -2.92 1.61 0.63 -1.26 -4.47 116.66 110.91 1rdu n ARG 73 Ca 0.07 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.93 1rdu n ARG 73 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 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 -2.82 -1.25 0.00 6.15 5.15 -1.26 -4.37 115.26 116.86 1rdu n ASN 74 Ca 0.00 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1rdu n ASN 74 Cb 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 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 -1.14 0.00 -0.03 5.20 0.00 -1.26 -4.78 120.51 118.50 1rdu n ALA 75 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1rdu n ALA 75 Cb 0.18 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 0.78 -0.12 0.00 3.57 -2.00 -0.55 116.94 118.62 1rdu h PHE 76 Ca 0.00 -0.25 -0.10 0.00 3.53 0.00 0.00 57.97 61.15 1rdu h PHE 76 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1rdu h PHE 76 CO 0.00 0.99 -0.37 0.93 -2.23 0.00 0.00 178.31 177.63 1rdu h GLU 77 N 0.51 0.25 0.00 1.11 3.07 -1.98 -2.50 114.58 115.04 1rdu h GLU 77 Ca 0.03 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1rdu h GLU 77 Cb 1.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1rdu h GLU 77 CO 0.09 0.58 0.00 2.41 -1.40 0.00 0.00 179.01 180.70 1rdu n THR 78 N -4.06 0.50 -0.04 1.13 -1.04 -0.39 -2.05 114.28 108.33 1rdu n THR 78 Ca -0.01 -0.20 -0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1rdu n THR 78 Cb 0.45 -0.60 -0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.00 -1.55 -4.42 3.38 -0.71 -3.28 115.31 108.74 1rdu h LEU 79 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1rdu h LEU 79 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1rdu h LEU 79 CO 0.00 0.39 0.33 0.07 0.09 0.00 0.00 178.44 179.32 1rdu h LYS 80 N -0.75 0.59 0.00 1.13 2.10 -1.62 0.35 116.57 118.37 1rdu h LYS 80 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1rdu h LYS 80 Cb 0.03 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1rdu h LYS 80 CO 0.00 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 177.84 1rdu h ALA 81 N 1.70 1.00 -0.50 0.07 0.00 -1.57 -1.09 119.26 118.88 1rdu h ALA 81 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.74 1rdu h ALA 81 Cb 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.52 1rdu h ALA 81 CO -0.05 0.00 -0.73 0.00 0.00 0.00 0.00 179.25 178.48 1rdu n ALA 82 N -1.85 4.51 -2.68 0.00 0.00 0.02 -4.99 120.51 115.53 1rdu n ALA 82 Ca -0.02 -3.60 -0.07 0.00 0.00 0.00 0.00 53.44 49.75 1rdu n ALA 82 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 1rdu n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdu n GLY 83 N -0.83 -0.49 3.61 0.00 0.00 -0.41 -4.83 105.19 102.24 1rdu n GLY 83 Ca 0.35 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.27 4.40 -0.66 1.61 1.01 -0.67 -4.64 120.40 119.17 1rdu s VAL 84 Ca 0.08 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 1rdu s VAL 84 Cb -0.05 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 31.88 1rdu s VAL 84 CO 0.10 -0.75 1.28 -0.54 0.00 0.00 0.00 175.10 175.19 1rdu s LYS 85 N 3.96 3.30 -0.12 2.72 1.02 -1.17 -4.49 119.74 124.96 1rdu s LYS 85 Ca 0.44 0.04 -0.26 0.00 0.02 0.00 0.00 55.97 56.21 1rdu s LYS 85 Cb -0.10 -4.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.07 1rdu s LYS 85 CO 0.24 -1.98 0.83 0.08 -0.92 0.00 0.00 175.35 173.61 1rdu s VAL 86 N 5.59 4.91 0.25 3.17 1.01 -1.26 -1.39 120.40 132.69 1rdu s VAL 86 Ca 0.41 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.06 1rdu s VAL 86 Cb -0.08 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1rdu s VAL 86 CO 0.20 0.09 0.43 -0.31 0.00 0.00 0.00 175.10 175.52 1rdu s TYR 87 N 1.68 3.48 0.53 5.22 1.51 0.11 -0.28 117.35 129.60 1rdu s TYR 87 Ca 0.40 0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 56.58 1rdu s TYR 87 Cb -0.17 -1.81 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 1rdu s TYR 87 CO 0.16 0.32 1.00 0.50 -1.11 0.00 0.00 175.55 176.42 1rdu s ARG 88 N -3.73 3.81 0.21 -0.62 6.06 0.85 -0.74 118.95 124.78 1rdu s ARG 88 Ca 0.38 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.65 1rdu s ARG 88 Cb -0.10 -2.11 -0.04 0.00 0.06 0.00 0.00 34.95 32.75 1rdu s ARG 88 CO 0.31 -0.39 0.09 -0.59 -2.50 0.00 0.00 175.30 172.22 1rdu s PHE 89 N -2.54 1.25 -0.24 5.12 -0.71 -1.26 -4.22 117.98 115.37 1rdu s PHE 89 Ca 0.60 -1.24 0.21 0.00 -1.04 0.00 0.00 56.93 55.46 1rdu s PHE 89 Cb -0.11 -0.68 0.47 0.00 -1.21 0.00 0.00 43.02 41.49 1rdu s PHE 89 CO 0.31 -0.46 1.18 -1.91 -1.34 0.00 0.00 175.22 173.00 1rdu n GLU 90 N -0.30 1.46 0.00 1.99 4.07 -1.26 -4.01 120.64 122.59 1rdu n GLU 90 Ca -0.01 -2.94 0.00 0.00 -0.06 0.00 0.00 57.16 54.15 1rdu n GLU 90 Cb 0.65 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.95 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 -0.62 1.30 0.00 8.31 0.00 -1.26 -5.18 105.19 107.75 1rdu n GLY 91 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.39 0.97 3.94 -0.02 0.00 -1.26 -5.05 105.19 106.16 1rdu n GLY 92 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 2.42 0.28 2.61 -4.23 -1.26 -1.89 115.64 111.56 1rdu s THR 93 Ca 0.00 -0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1rdu s THR 93 Cb 0.00 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 71.18 1rdu s THR 93 CO 0.00 -0.01 1.60 0.58 -0.54 0.00 0.00 174.62 176.25 1rdu h VAL 94 N -0.40 0.17 -0.03 2.29 2.07 -0.82 0.59 116.25 120.12 1rdu h VAL 94 Ca -0.44 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1rdu h VAL 94 Cb 1.31 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1rdu h VAL 94 CO 0.58 0.01 -0.14 -0.61 0.02 0.00 0.00 177.57 177.43 1rdu h GLN 95 N 0.06 0.04 -0.37 1.57 4.15 -1.71 -2.72 115.11 116.12 1rdu h GLN 95 Ca 0.51 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.78 1rdu h GLN 95 Cb 0.99 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1rdu h GLN 95 CO -0.81 0.18 -0.34 0.93 -1.93 0.00 0.00 178.83 176.86 1rdu h GLU 96 N 0.04 0.89 -0.67 1.69 4.39 -1.21 0.18 114.58 119.88 1rdu h GLU 96 Ca 0.01 -0.46 0.19 0.00 0.34 0.00 0.00 59.36 59.44 1rdu h GLU 96 Cb 0.27 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1rdu h GLU 96 CO 0.02 1.11 0.55 0.00 -1.16 0.00 0.00 179.01 179.53 1rdu h ALA 97 N 0.77 2.54 0.00 3.43 0.00 -1.30 0.17 119.26 124.87 1rdu h ALA 97 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1rdu h ALA 97 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1rdu h ALA 97 CO 0.09 -0.90 -0.97 -0.89 0.00 0.00 0.00 179.25 176.57 1rdu n ILE 98 N -4.04 1.47 -0.33 0.00 2.08 -0.93 -3.42 119.36 114.19 1rdu n ILE 98 Ca 0.13 0.09 0.08 0.00 0.56 0.00 0.00 62.75 63.61 1rdu n ILE 98 Cb 0.81 -2.26 0.24 0.00 -0.75 0.00 0.00 39.64 37.68 1rdu n ILE 98 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1rdu h ASP 99 N -1.00 0.71 0.04 4.38 5.19 -0.51 0.42 116.42 125.65 1rdu h ASP 99 Ca -0.15 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1rdu h ASP 99 Cb 0.89 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1rdu h ASP 99 CO -0.09 0.32 -0.02 0.00 -3.12 0.00 0.00 179.24 176.33 1rdu h ALA 100 N 1.56 -0.06 -0.77 3.45 0.00 -0.84 -1.48 119.26 121.12 1rdu h ALA 100 Ca 0.49 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1rdu h ALA 100 Cb 0.63 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1rdu h ALA 100 CO -0.33 -0.35 0.39 0.35 0.00 0.00 0.00 179.25 179.31 1rdu h PHE 101 N -0.43 0.69 -0.30 0.00 3.04 -1.38 0.20 116.94 118.76 1rdu h PHE 101 Ca -0.01 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.87 1rdu h PHE 101 Cb 0.39 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1rdu h PHE 101 CO 0.05 0.21 -0.23 0.66 -2.02 0.00 0.00 178.31 176.98 1rdu h SER 102 N 0.62 0.59 -0.89 0.41 4.64 0.18 -1.66 113.55 117.44 1rdu h SER 102 Ca 0.40 -0.20 -0.57 0.00 -0.47 0.00 0.00 61.79 60.95 1rdu h SER 102 Cb 0.48 -0.16 -0.30 0.00 -0.31 0.00 0.00 62.40 62.11 1rdu h SER 102 CO -0.31 0.82 0.45 -0.62 -0.87 0.00 0.00 176.83 176.31 1rdu n GLU 103 N -4.12 2.64 -1.33 4.77 1.02 -0.59 -4.94 120.64 118.09 1rdu n GLU 103 Ca -0.00 -3.36 -0.07 0.00 -0.02 0.00 0.00 57.16 53.71 1rdu n GLU 103 Cb 0.41 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.96 0.58 2.04 0.62 0.00 -0.63 -4.82 105.19 102.03 1rdu n GLY 104 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.60 2.12 -4.19 1.61 1.74 0.67 -4.88 116.66 112.13 1rdu n ARG 105 Ca -0.07 -2.22 -0.12 0.00 -0.77 0.00 0.00 57.85 54.67 1rdu n ARG 105 Cb 0.27 -1.87 -0.10 0.00 -1.02 0.00 0.00 32.46 29.74 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 -2.57 1.17 0.03 0.55 1.43 -1.24 -4.63 118.68 113.40 1rdu s LEU 106 Ca 0.44 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.26 1rdu s LEU 106 Cb 0.35 0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.96 1rdu s LEU 106 CO 0.00 -0.84 -0.24 -1.61 0.23 0.00 0.00 176.35 173.89 1rdu s GLU 107 N -4.15 1.74 -0.71 1.70 0.41 -1.26 -4.96 118.70 111.47 1rdu s GLU 107 Ca 0.37 -0.99 -0.27 0.00 -0.41 0.00 0.00 54.97 53.67 1rdu s GLU 107 Cb 0.07 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.61 1rdu s GLU 107 CO 0.11 0.48 1.30 -2.00 -0.49 0.00 0.00 175.26 174.66 1rdu s GLU 108 N -1.02 3.20 -0.15 1.61 2.12 -1.26 -0.11 118.70 123.09 1rdu s GLU 108 Ca 0.10 -0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1rdu s GLU 108 Cb -0.09 -4.17 -0.25 0.00 0.26 0.00 0.00 34.13 29.88 1rdu s GLU 108 CO 0.01 -2.12 3.52 -0.11 -0.54 0.00 0.00 175.26 176.03 1rdu n LEU 109 N 9.43 5.50 -1.44 2.70 7.94 0.61 -4.62 117.00 137.13 1rdu n LEU 109 Ca 0.05 -3.26 0.00 0.00 -1.11 0.00 0.00 56.01 51.69 1rdu n LEU 109 Cb 0.49 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1rdu n LEU 109 CO 0.71 1.70 0.92 1.07 -1.11 0.00 0.00 177.39 180.69 1rdu n THR 110 N 2.61 1.85 0.00 1.96 5.66 -1.21 -4.55 114.28 120.60 1rdu n THR 110 Ca 0.46 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1rdu n THR 110 Cb 0.84 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 1rdu n THR 110 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1rdu n THR 111 N 1.37 0.00 -4.01 1.09 5.66 -1.26 -5.09 114.28 112.03 1rdu n THR 111 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1rdu n THR 111 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 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 0.00 3.18 -0.01 1.09 0.40 -1.26 -5.01 117.98 116.36 1rdu s PHE 112 Ca 0.00 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1rdu s PHE 112 Cb 0.00 -2.10 -0.18 0.00 0.51 0.00 0.00 43.02 41.25 1rdu s PHE 112 CO 0.00 0.02 3.15 2.41 0.70 0.00 0.00 175.22 181.49 1rdu n THR 113 N 3.85 2.73 -3.49 0.64 -1.04 -1.26 -4.76 114.28 110.94 1rdu n THR 113 Ca -0.16 -1.26 -0.42 0.00 -2.04 0.00 0.00 64.05 60.17 1rdu n THR 113 Cb 0.52 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 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 0.64 2.90 -0.09 -2.82 6.06 -1.26 -4.98 118.95 119.40 1rdu s ARG 114 Ca 0.48 -2.14 -0.03 0.00 -2.50 0.00 0.00 55.73 51.54 1rdu s ARG 114 Cb 0.23 -4.09 -0.07 0.00 0.06 0.00 0.00 34.95 31.08 1rdu s ARG 114 CO -0.00 -1.24 2.73 -1.91 -2.50 0.00 0.00 175.30 172.37 1rdu n GLU 115 N 4.36 1.65 -0.95 5.12 4.07 -1.26 -5.27 120.64 128.35 1rdu n GLU 115 Ca 0.01 -0.84 0.00 0.00 -0.06 0.00 0.00 57.16 56.27 1rdu n GLU 115 Cb 0.42 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48