#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 -1.71 -0.22 3.04 0.00 -1.26 -5.02 121.76 116.59 1rdu s ALA 2 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1rdu s ALA 2 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1rdu s ALA 2 CO 0.00 -0.53 1.11 1.03 0.00 0.00 0.00 175.76 177.38 1rdu s ARG 3 N -2.19 4.23 -0.21 0.00 0.52 -1.26 -4.22 118.95 115.81 1rdu s ARG 3 Ca -0.06 1.42 -0.07 0.00 -0.52 0.00 0.00 55.73 56.50 1rdu s ARG 3 Cb -0.00 -3.69 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1rdu s ARG 3 CO 0.01 -0.69 0.05 0.54 0.02 0.00 0.00 175.30 175.23 1rdu s VAL 4 N 3.36 4.37 -0.40 3.52 0.11 -0.96 -2.79 120.40 127.61 1rdu s VAL 4 Ca 0.48 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 1rdu s VAL 4 Cb -0.17 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 31.69 1rdu s VAL 4 CO 0.10 0.40 0.48 0.00 -3.33 0.00 0.00 175.10 172.74 1rdu s ALA 5 N 1.03 3.43 -0.22 1.54 0.00 -0.66 -2.32 121.76 124.56 1rdu s ALA 5 Ca 0.03 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1rdu s ALA 5 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1rdu s ALA 5 CO 0.03 -1.51 0.33 0.42 0.00 0.00 0.00 175.76 175.03 1rdu s ILE 6 N 2.28 5.24 -0.40 0.00 1.09 -0.22 -2.81 121.20 126.39 1rdu s ILE 6 Ca 0.15 0.55 -0.29 0.00 -1.10 0.00 0.00 60.65 59.96 1rdu s ILE 6 Cb -0.16 -3.67 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1rdu s ILE 6 CO 0.14 0.26 1.25 -2.16 -0.10 0.00 0.00 174.94 174.34 1rdu s PRO 7 N 1.34 3.77 0.49 2.79 0.04 -1.26 -1.52 135.00 140.65 1rdu s PRO 7 Ca 0.16 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.16 1rdu s PRO 7 Cb -0.15 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1rdu s PRO 7 CO 0.07 -1.32 0.40 0.45 0.04 0.00 0.00 177.00 176.64 1rdu s SER 8 N 2.88 4.77 -0.24 6.66 0.15 0.24 -0.89 113.70 127.27 1rdu s SER 8 Ca 0.53 -1.04 0.18 0.00 0.70 0.00 0.00 55.95 56.32 1rdu s SER 8 Cb -0.12 -0.01 0.48 0.00 -1.71 0.00 0.00 66.02 64.66 1rdu s SER 8 CO 0.28 -0.91 1.15 1.33 1.20 0.00 0.00 173.24 176.29 1rdu n VAL 9 N -1.67 1.58 -3.40 4.45 0.24 -1.01 -1.38 118.33 117.15 1rdu n VAL 9 Ca 0.01 -3.15 -0.00 0.00 -2.04 0.00 0.00 64.34 59.16 1rdu n VAL 9 Cb 0.63 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.56 1.36 2.45 7.63 0.00 -1.26 -4.88 105.19 109.94 1rdu n GLY 10 Ca 0.19 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1rdu n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdu n LYS 11 N -0.01 1.93 -3.57 1.61 2.85 -1.26 -4.72 118.16 114.99 1rdu n LYS 11 Ca -0.00 -4.08 -0.14 0.00 -1.05 0.00 0.00 58.31 53.04 1rdu n LYS 11 Cb 0.01 -1.88 -0.05 0.00 -0.65 0.00 0.00 35.03 32.45 1rdu n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rdu s ASP 12 N -2.45 -0.46 0.12 -5.58 1.01 -1.26 -5.02 116.67 103.04 1rdu s ASP 12 Ca 0.41 0.24 0.15 0.00 0.71 0.00 0.00 52.55 54.06 1rdu s ASP 12 Cb 0.24 0.49 0.67 0.00 1.01 0.00 0.00 42.92 45.33 1rdu s ASP 12 CO -0.09 -0.70 1.46 -0.11 0.21 0.00 0.00 175.17 175.95 1rdu n LEU 13 N 0.50 0.28 -1.88 1.23 -0.00 -1.26 -1.10 117.00 114.76 1rdu n LEU 13 Ca -0.19 0.59 -0.22 0.00 -0.00 0.00 0.00 56.01 56.20 1rdu n LEU 13 Cb 0.60 -0.58 0.10 0.00 -0.00 0.00 0.00 43.42 43.54 1rdu n LEU 13 CO 0.20 -0.51 0.79 -1.54 -0.00 0.00 0.00 177.39 176.32 1rdu n SER 14 N -1.83 4.97 -4.97 1.96 3.41 -1.26 -1.04 113.62 114.86 1rdu n SER 14 Ca 0.01 -3.77 -0.21 0.00 -0.26 0.00 0.00 58.87 54.65 1rdu n SER 14 Cb 0.12 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.43 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 -2.61 5.68 0.14 4.04 0.01 -0.26 -4.77 113.70 115.93 1rdu s SER 15 Ca 0.54 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 1rdu s SER 15 Cb 0.44 -1.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.41 1rdu s SER 15 CO 0.02 -0.79 1.01 -0.04 0.41 0.00 0.00 173.24 173.85 1rdu s MET 16 N -4.52 4.67 0.05 12.44 -1.94 -1.26 -0.08 119.30 128.65 1rdu s MET 16 Ca 0.51 1.55 -0.30 0.00 -1.71 0.00 0.00 55.69 55.73 1rdu s MET 16 Cb -0.10 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 1rdu s MET 16 CO 0.36 0.17 1.05 0.08 -0.01 0.00 0.00 175.02 176.67 1rdu s VAL 17 N -0.11 4.51 0.30 -6.03 1.01 -0.83 -2.41 120.40 116.84 1rdu s VAL 17 Ca 0.48 1.86 -0.25 0.00 0.00 0.00 0.00 61.98 64.07 1rdu s VAL 17 Cb -0.26 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 1rdu s VAL 17 CO 0.32 0.18 0.90 -0.55 0.00 0.00 0.00 175.10 175.95 1rdu s SER 18 N 0.79 7.30 -0.19 3.32 0.15 -0.07 -4.83 113.70 120.17 1rdu s SER 18 Ca 0.53 1.76 -0.00 0.00 0.70 0.00 0.00 55.95 58.94 1rdu s SER 18 Cb -0.24 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.68 1rdu s SER 18 CO 0.29 -0.04 1.78 0.47 1.20 0.00 0.00 173.24 176.94 1rdu n ASP 19 N 0.64 5.17 -3.38 5.45 8.00 -1.26 -4.28 116.55 126.88 1rdu n ASP 19 Ca 0.01 -2.74 0.02 0.00 0.71 0.00 0.00 54.79 52.78 1rdu n ASP 19 Cb 0.50 -0.93 -0.04 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 -1.17 0.22 -0.02 -1.24 1.70 -1.23 -3.93 118.95 113.28 1rdu s ARG 20 Ca 0.20 0.53 -0.16 0.00 -0.47 0.00 0.00 55.73 55.83 1rdu s ARG 20 Cb 0.16 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1rdu s ARG 20 CO 0.01 -0.07 0.70 0.35 -1.08 0.00 0.00 175.30 175.21 1rdu h PHE 21 N 7.12 -0.52 0.00 5.89 3.57 -1.47 -3.27 116.94 128.26 1rdu h PHE 21 Ca -0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 1rdu h PHE 21 Cb 1.13 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1rdu h PHE 21 CO 0.20 -0.32 -0.12 0.00 -2.23 0.00 0.00 178.31 175.84 1rdu h ALA 22 N -1.28 1.17 -2.38 2.41 0.00 -1.86 -2.14 119.26 115.19 1rdu h ALA 22 Ca -0.06 -0.11 -0.76 0.00 0.00 0.00 0.00 54.91 53.99 1rdu h ALA 22 Cb 0.43 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 17.89 1rdu h ALA 22 CO 0.09 0.14 0.31 0.54 0.00 0.00 0.00 179.25 180.34 1rdu n ARG 23 N -3.47 3.51 -4.22 0.00 5.12 -1.26 -4.89 116.66 111.45 1rdu n ARG 23 Ca -0.01 -4.52 -0.13 0.00 -1.93 0.00 0.00 57.85 51.26 1rdu n ARG 23 Cb 0.27 -2.47 -0.10 0.00 -1.16 0.00 0.00 32.46 29.00 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 -1.96 1.29 -0.52 7.54 0.00 -0.81 -4.45 121.76 122.84 1rdu s ALA 24 Ca 0.31 -1.45 0.15 0.00 0.00 0.00 0.00 51.96 50.97 1rdu s ALA 24 Cb -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 23.12 23.04 1rdu s ALA 24 CO -0.02 -0.16 0.55 0.39 0.00 0.00 0.00 175.76 176.53 1rdu n GLU 25 N -0.15 1.66 -3.82 0.00 1.02 -0.48 -4.46 120.64 114.42 1rdu n GLU 25 Ca -0.11 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 1rdu n GLU 25 Cb 0.61 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.58 -0.12 -0.23 -0.32 1.51 -0.99 -0.72 117.35 113.90 1rdu s TYR 26 Ca 0.03 0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1rdu s TYR 26 Cb 0.11 0.03 0.07 0.00 -0.11 0.00 0.00 41.96 42.06 1rdu s TYR 26 CO 0.62 -0.24 0.02 -0.06 -1.11 0.00 0.00 175.55 174.78 1rdu s PHE 27 N -0.76 1.57 -0.30 2.71 0.08 -0.69 -0.59 117.98 120.01 1rdu s PHE 27 Ca -0.08 -1.29 -0.21 0.00 0.12 0.00 0.00 56.93 55.47 1rdu s PHE 27 Cb -0.05 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1rdu s PHE 27 CO 0.02 -0.71 0.66 0.42 -0.10 0.00 0.00 175.22 175.50 1rdu s ILE 28 N 1.67 4.92 -0.56 0.64 1.09 -0.58 -1.00 121.20 127.39 1rdu s ILE 28 Ca -0.01 0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 60.39 1rdu s ILE 28 Cb -0.18 -4.01 0.14 0.00 -1.06 0.00 0.00 42.46 37.35 1rdu s ILE 28 CO -0.10 -0.13 0.45 -0.63 -0.10 0.00 0.00 174.94 174.42 1rdu s ILE 29 N 2.65 4.55 -0.46 2.92 1.01 0.15 -1.05 121.20 130.96 1rdu s ILE 29 Ca 0.26 -1.99 -0.21 0.00 0.00 0.00 0.00 60.65 58.71 1rdu s ILE 29 Cb -0.15 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1rdu s ILE 29 CO 0.11 -0.85 0.68 -0.47 0.00 0.00 0.00 174.94 174.42 1rdu s TYR 30 N 1.04 3.03 -0.47 3.97 5.04 -0.98 -2.11 117.35 126.87 1rdu s TYR 30 Ca 0.09 -0.09 -0.29 0.00 -2.44 0.00 0.00 57.07 54.34 1rdu s TYR 30 Cb -0.24 -3.47 0.03 0.00 0.35 0.00 0.00 41.96 38.63 1rdu s TYR 30 CO -0.02 -0.95 1.15 -0.51 -1.34 0.00 0.00 175.55 173.89 1rdu s ASP 31 N 2.18 6.63 -0.74 4.32 1.11 -0.75 -2.26 116.67 127.16 1rdu s ASP 31 Ca 0.23 0.50 -0.07 0.00 0.18 0.00 0.00 52.55 53.39 1rdu s ASP 31 Cb -0.14 -2.55 -0.16 0.00 1.07 0.00 0.00 42.92 41.14 1rdu s ASP 31 CO 0.19 -1.26 3.05 0.35 1.18 0.00 0.00 175.17 178.68 1rdu n THR 32 N 6.84 3.31 0.00 -1.27 -2.24 -1.26 -2.61 114.28 117.04 1rdu n THR 32 Ca 0.12 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 1rdu n THR 32 Cb 0.49 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 3.14 0.02 -2.43 -0.78 -0.58 -1.26 -4.65 120.64 114.10 1rdu n GLU 33 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1rdu n GLU 33 Cb 0.52 -0.64 0.05 0.00 -0.57 0.00 0.00 31.44 30.79 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 -1.78 0.81 -0.85 1.62 7.64 -1.23 -5.01 113.62 114.83 1rdu n SER 34 Ca 0.00 -2.05 -0.08 0.00 1.01 0.00 0.00 58.87 57.76 1rdu n SER 34 Cb 0.14 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.72 3.73 0.23 0.00 -1.07 -4.93 105.19 103.38 1rdu n GLY 35 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.69 7.35 0.28 1.61 2.47 -1.25 -4.88 114.94 118.83 1rdu s ASN 36 Ca 0.00 1.62 0.11 0.00 0.42 0.00 0.00 52.86 55.00 1rdu s ASN 36 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1rdu s ASN 36 CO 0.00 -0.05 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.54 1rdu s VAL 37 N 0.09 2.91 -0.03 -5.21 1.01 -1.26 -1.81 120.40 116.10 1rdu s VAL 37 Ca 0.43 -2.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 1rdu s VAL 37 Cb -0.22 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1rdu s VAL 37 CO 0.26 -0.37 0.06 -0.70 0.00 0.00 0.00 175.10 174.36 1rdu s GLU 38 N -3.60 0.02 -0.43 2.72 2.56 -0.90 -4.94 118.70 114.13 1rdu s GLU 38 Ca 0.31 0.20 -0.21 0.00 0.00 0.00 0.00 54.97 55.26 1rdu s GLU 38 Cb -0.05 -0.16 0.02 0.00 2.00 0.00 0.00 34.13 35.95 1rdu s GLU 38 CO 0.18 -0.12 0.68 0.08 -0.56 0.00 0.00 175.26 175.51 1rdu s VAL 39 N 0.80 4.79 0.48 3.70 1.01 -1.26 -0.67 120.40 129.24 1rdu s VAL 39 Ca -0.06 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 1rdu s VAL 39 Cb -0.09 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1rdu s VAL 39 CO -0.03 -0.60 0.98 -0.69 0.00 0.00 0.00 175.10 174.76 1rdu s VAL 40 N 2.92 4.35 -0.39 2.92 1.01 -0.17 -4.91 120.40 126.13 1rdu s VAL 40 Ca 0.25 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.56 1rdu s VAL 40 Cb -0.14 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.74 1rdu s VAL 40 CO 0.19 -0.47 0.14 -0.70 0.00 0.00 0.00 175.10 174.26 1rdu s GLU 41 N -3.60 1.38 -0.33 2.72 2.12 -1.26 -1.70 118.70 118.03 1rdu s GLU 41 Ca 0.61 -1.88 -0.02 0.00 0.36 0.00 0.00 54.97 54.04 1rdu s GLU 41 Cb -0.11 -2.80 0.07 0.00 0.26 0.00 0.00 34.13 31.55 1rdu s GLU 41 CO 0.22 -1.03 0.06 -0.80 -0.54 0.00 0.00 175.26 173.18 1rdu s ASN 42 N 0.71 4.99 -1.48 -1.70 0.02 0.10 -5.00 114.94 112.59 1rdu s ASN 42 Ca 0.13 -1.52 -0.09 0.00 -1.02 0.00 0.00 52.86 50.36 1rdu s ASN 42 Cb -0.21 -1.74 0.02 0.00 0.02 0.00 0.00 41.25 39.33 1rdu s ASN 42 CO -0.09 -0.34 2.59 0.35 0.02 0.00 0.00 177.10 179.63 1rdu n THR 43 N 4.60 4.54 -2.41 1.60 -2.24 -1.26 -4.23 114.28 114.87 1rdu n THR 43 Ca -0.09 -3.38 -0.31 0.00 -2.27 0.00 0.00 64.05 58.00 1rdu n THR 43 Cb 0.43 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.22 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 1.02 4.68 0.37 2.28 -1.09 -1.26 -5.07 121.20 122.12 1rdu s ILE 44 Ca 0.59 0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 59.80 1rdu s ILE 44 Cb 0.17 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1rdu s ILE 44 CO -0.07 -0.77 0.66 0.00 -1.23 0.00 0.00 174.94 173.53 1rdu s ALA 45 N -2.70 -0.12 0.00 9.38 0.00 -1.26 -4.91 121.76 122.14 1rdu s ALA 45 Ca 0.55 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 1rdu s ALA 45 Cb -0.10 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1rdu s ALA 45 CO 0.38 -0.91 1.94 -0.25 0.00 0.00 0.00 175.76 176.92 1rdu n ASP 46 N -1.41 5.06 -4.03 0.00 9.92 -1.26 -4.79 116.55 120.05 1rdu n ASP 46 Ca -0.04 -2.34 -0.27 0.00 -0.53 0.00 0.00 54.79 51.61 1rdu n ASP 46 Cb 0.61 -1.08 -0.07 0.00 -0.64 0.00 0.00 41.12 39.94 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdu n ALA 47 N 1.55 0.53 -3.54 2.24 0.00 -1.26 -5.18 120.51 114.85 1rdu n ALA 47 Ca 0.01 -2.08 -0.06 0.00 0.00 0.00 0.00 53.44 51.31 1rdu n ALA 47 Cb 0.48 1.33 -0.01 0.00 0.00 0.00 0.00 19.45 21.25 1rdu n ALA 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1rdu n HIS 48 N -0.99 -1.12 0.00 0.00 1.44 -1.26 -5.09 115.22 108.21 1rdu n HIS 48 Ca -0.10 -1.23 0.00 0.00 -2.01 0.00 0.00 57.72 54.39 1rdu n HIS 48 Cb 0.61 0.33 0.00 0.00 0.12 0.00 0.00 29.99 31.05 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rdu n GLY 49 N -0.31 -1.08 2.42 -1.39 0.00 -1.26 -5.00 105.19 98.57 1rdu n GLY 49 Ca -0.01 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 1rdu n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rdu n THR 50 N 0.00 -0.49 -4.94 2.61 -2.24 -1.26 -4.96 114.28 102.99 1rdu n THR 50 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1rdu n THR 50 Cb 0.00 -1.53 -0.17 0.00 -2.10 0.00 0.00 70.33 66.53 1rdu n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rdu s GLY 51 N -2.02 1.18 0.40 3.38 0.00 -1.26 -5.01 107.32 103.99 1rdu s GLY 51 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 44.72 44.01 1rdu s GLY 51 CO 0.00 -0.14 1.89 -0.56 0.00 0.00 0.00 173.10 174.29 1rdu h PRO 52 N 6.90 0.04 0.00 2.90 0.13 -1.93 -3.47 132.00 136.57 1rdu h PRO 52 Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1rdu h PRO 52 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rdu h PRO 52 CO 0.48 0.31 0.00 1.63 -0.23 0.00 0.00 178.00 180.19 1rdu n LYS 53 N -4.20 0.00 0.04 0.86 4.01 -1.26 -3.81 118.16 113.80 1rdu n LYS 53 Ca -0.02 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.63 1rdu n LYS 53 Cb 0.33 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.76 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1rdu h VAL 54 N 0.00 0.00 0.12 -0.18 3.04 -1.91 -1.95 116.25 115.37 1rdu h VAL 54 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1rdu h VAL 54 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1rdu h VAL 54 CO 0.00 0.00 -0.06 0.58 -1.01 0.00 0.00 177.57 177.08 1rdu h VAL 55 N -0.63 0.88 -0.73 1.51 2.07 -1.97 0.13 116.25 117.52 1rdu h VAL 55 Ca 0.01 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1rdu h VAL 55 Cb 0.68 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 31.20 1rdu h VAL 55 CO -0.36 0.00 -0.24 1.56 0.02 0.00 0.00 177.57 178.56 1rdu h GLN 56 N -0.17 -0.04 0.54 1.57 1.08 -1.82 0.41 115.11 116.68 1rdu h GLN 56 Ca -0.02 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1rdu h GLN 56 Cb 0.13 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1rdu h GLN 56 CO 0.03 -0.03 -0.26 0.77 -0.95 0.00 0.00 178.83 178.39 1rdu h SER 57 N -0.04 -0.62 -0.68 1.46 0.02 -0.56 -1.61 113.55 111.52 1rdu h SER 57 Ca 0.33 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1rdu h SER 57 Cb 0.56 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1rdu h SER 57 CO -0.77 -0.36 0.31 -0.07 -1.14 0.00 0.00 176.83 174.81 1rdu h LEU 58 N -0.85 0.91 -0.43 5.07 3.38 -0.00 -0.91 115.31 122.48 1rdu h LEU 58 Ca -0.07 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1rdu h LEU 58 Cb 0.61 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1rdu h LEU 58 CO 0.12 0.80 0.20 0.58 0.09 0.00 0.00 178.44 180.23 1rdu h VAL 59 N 0.95 0.95 -0.12 1.22 2.07 -1.02 -0.11 116.25 120.19 1rdu h VAL 59 Ca 0.23 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1rdu h VAL 59 Cb 0.15 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1rdu h VAL 59 CO -0.03 0.07 0.11 0.28 0.02 0.00 0.00 177.57 178.03 1rdu h SER 60 N 0.40 0.00 -0.99 0.57 0.02 -0.23 -1.75 113.55 111.57 1rdu h SER 60 Ca 0.19 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.51 1rdu h SER 60 Cb 0.11 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.36 1rdu h SER 60 CO -0.14 0.00 0.81 0.29 -1.14 0.00 0.00 176.83 176.65 1rdu n LYS 61 N -4.15 2.56 -1.72 3.45 5.02 -0.11 -4.93 118.16 118.28 1rdu n LYS 61 Ca 0.00 -3.18 -0.12 0.00 -2.02 0.00 0.00 58.31 53.00 1rdu n LYS 61 Cb 0.22 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 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 -0.95 0.56 3.69 0.72 0.00 -0.66 -4.94 105.19 103.61 1rdu n GLY 62 Ca 0.61 0.00 -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 -2.19 3.23 -0.25 1.61 1.01 -0.86 -4.50 120.40 118.45 1rdu s VAL 63 Ca 0.00 0.68 0.11 0.00 0.00 0.00 0.00 61.98 62.77 1rdu s VAL 63 Cb 0.00 -3.44 0.45 0.00 0.00 0.00 0.00 36.38 33.40 1rdu s VAL 63 CO 0.00 0.00 1.19 -0.62 0.00 0.00 0.00 175.10 175.67 1rdu n GLU 64 N 5.42 2.64 -3.50 2.72 1.02 -1.17 -4.57 120.64 123.20 1rdu n GLU 64 Ca 0.15 -3.74 -0.10 0.00 -0.02 0.00 0.00 57.16 53.45 1rdu n GLU 64 Cb 0.41 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1rdu n GLU 64 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1rdu s TYR 65 N -3.32 -0.41 -0.13 -0.32 6.14 -1.12 -0.72 117.35 117.47 1rdu s TYR 65 Ca 0.44 0.38 -0.30 0.00 0.64 0.00 0.00 57.07 58.23 1rdu s TYR 65 Cb 0.39 0.52 0.10 0.00 0.42 0.00 0.00 41.96 43.38 1rdu s TYR 65 CO -0.01 -0.56 0.84 -1.17 0.64 0.00 0.00 175.55 175.28 1rdu s LEU 66 N -2.18 -0.54 -0.27 6.97 2.96 -0.40 -1.65 118.68 123.57 1rdu s LEU 66 Ca 0.02 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1rdu s LEU 66 Cb -0.01 2.22 0.07 0.00 0.50 0.00 0.00 46.19 48.97 1rdu s LEU 66 CO -0.06 -0.44 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.88 1rdu s ILE 67 N -0.91 1.68 -0.23 6.68 1.01 -1.12 -1.02 121.20 127.28 1rdu s ILE 67 Ca -0.05 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 58.91 1rdu s ILE 67 Cb -0.01 -2.02 0.07 0.00 0.01 0.00 0.00 42.46 40.50 1rdu s ILE 67 CO 0.05 -0.26 0.59 0.00 0.00 0.00 0.00 174.94 175.32 1rdu s ALA 68 N 1.29 -1.53 0.44 9.38 0.00 -0.81 -4.05 121.76 126.48 1rdu s ALA 68 Ca -0.01 1.92 0.37 0.00 0.00 0.00 0.00 51.96 54.24 1rdu s ALA 68 Cb -0.19 -1.13 1.90 0.00 0.00 0.00 0.00 23.12 23.70 1rdu s ALA 68 CO -0.09 -0.31 2.19 0.66 0.00 0.00 0.00 175.76 178.21 1rdu h SER 69 N 6.22 0.00 -5.16 0.00 4.64 -1.74 -3.33 113.55 114.18 1rdu h SER 69 Ca -0.31 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1rdu h SER 69 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1rdu h SER 69 CO 0.17 0.02 0.39 0.21 -0.87 0.00 0.00 176.83 176.76 1rdu s ASN 70 N -5.55 -0.03 0.27 4.97 3.84 -1.25 -4.74 114.94 112.44 1rdu s ASN 70 Ca -0.03 -0.89 0.08 0.00 0.21 0.00 0.00 52.86 52.23 1rdu s ASN 70 Cb 0.12 0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 41.48 1rdu s ASN 70 CO 0.49 -1.38 0.18 0.54 -2.79 0.00 0.00 177.10 174.14 1rdu s VAL 71 N -2.47 4.07 -0.52 -5.21 0.11 -1.26 -1.36 120.40 113.76 1rdu s VAL 71 Ca 0.17 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 1rdu s VAL 71 Cb -0.04 -3.26 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 1rdu s VAL 71 CO 0.08 -0.32 0.75 0.61 -3.33 0.00 0.00 175.10 172.90 1rdu n GLY 72 N -1.16 1.77 5.04 6.54 0.00 -1.26 -4.58 105.19 111.54 1rdu n GLY 72 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.23 0.00 -0.38 1.61 0.63 -1.26 -4.74 116.66 112.76 1rdu n ARG 73 Ca 0.01 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1rdu n ARG 73 Cb 0.38 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.27 1rdu n ARG 73 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1rdu n ASN 74 N 1.72 2.36 0.00 6.15 6.94 -1.26 -2.97 115.26 128.20 1rdu n ASN 74 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1rdu n ASN 74 Cb 0.00 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 36.73 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 3.93 0.00 0.09 -2.53 0.00 -1.26 -4.69 120.51 116.05 1rdu n ALA 75 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 1rdu n ALA 75 Cb 0.15 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.81 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 0.30 -0.76 0.00 3.57 -1.95 -0.13 116.94 117.97 1rdu h PHE 76 Ca 0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1rdu h PHE 76 Cb 0.00 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1rdu h PHE 76 CO 0.00 0.65 0.43 0.93 -2.23 0.00 0.00 178.31 178.09 1rdu h GLU 77 N 0.21 1.04 0.00 1.11 5.08 -1.95 -2.44 114.58 117.64 1rdu h GLU 77 Ca 0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1rdu h GLU 77 Cb 0.86 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1rdu h GLU 77 CO 0.07 0.75 0.00 2.41 -1.00 0.00 0.00 179.01 181.24 1rdu n THR 78 N -4.36 0.61 -0.06 1.13 -1.04 -0.54 -2.17 114.28 107.86 1rdu n THR 78 Ca 0.08 -0.27 -0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1rdu n THR 78 Cb 0.09 -0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.88 -4.42 3.38 -0.58 -3.33 115.31 108.48 1rdu h LEU 79 Ca 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1rdu h LEU 79 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1rdu h LEU 79 CO 0.00 0.62 -0.11 0.07 0.09 0.00 0.00 178.44 179.11 1rdu h LYS 80 N -1.00 0.00 -0.25 1.13 2.10 -1.57 0.15 116.57 117.13 1rdu h LYS 80 Ca -0.01 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1rdu h LYS 80 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1rdu h LYS 80 CO -0.00 0.11 0.24 0.00 -2.00 0.00 0.00 179.45 177.79 1rdu h ALA 81 N 1.89 2.00 -0.57 0.07 0.00 -1.57 -1.72 119.26 119.36 1rdu h ALA 81 Ca -0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1rdu h ALA 81 Cb 0.21 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.71 1rdu h ALA 81 CO 0.01 -0.37 -0.65 0.00 0.00 0.00 0.00 179.25 178.25 1rdu n ALA 82 N -2.42 4.74 -2.61 0.00 0.00 -0.10 -4.98 120.51 115.14 1rdu n ALA 82 Ca 0.03 -3.64 -0.03 0.00 0.00 0.00 0.00 53.44 49.80 1rdu n ALA 82 Cb 0.38 -0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 3.69 0.00 0.00 -0.65 -4.83 105.19 102.07 1rdu n GLY 83 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.09 4.75 0.56 1.61 1.01 -0.37 -4.85 120.40 121.03 1rdu s VAL 84 Ca 0.04 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.90 1rdu s VAL 84 Cb -0.03 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1rdu s VAL 84 CO 0.05 -0.00 1.01 -0.75 0.00 0.00 0.00 175.10 175.41 1rdu s LYS 85 N 2.07 3.73 -0.10 2.72 2.20 0.11 -4.41 119.74 126.06 1rdu s LYS 85 Ca 0.49 0.94 -0.05 0.00 -0.36 0.00 0.00 55.97 56.99 1rdu s LYS 85 Cb -0.18 -2.10 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1rdu s LYS 85 CO 0.18 -0.45 0.22 0.08 -0.36 0.00 0.00 175.35 175.01 1rdu s VAL 86 N -2.75 -0.06 0.43 4.02 1.01 -1.26 -1.28 120.40 120.51 1rdu s VAL 86 Ca 0.59 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1rdu s VAL 86 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 1rdu s VAL 86 CO 0.38 0.07 0.41 -0.31 0.00 0.00 0.00 175.10 175.65 1rdu s TYR 87 N 1.30 2.64 0.12 5.22 1.51 -0.19 -0.70 117.35 127.24 1rdu s TYR 87 Ca -0.09 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1rdu s TYR 87 Cb -0.11 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1rdu s TYR 87 CO -0.08 -0.19 0.05 0.50 -1.11 0.00 0.00 175.55 174.72 1rdu s ARG 88 N -4.17 2.69 0.18 -0.62 3.52 0.30 -1.93 118.95 118.91 1rdu s ARG 88 Ca 0.48 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1rdu s ARG 88 Cb -0.04 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1rdu s ARG 88 CO 0.28 0.52 0.09 -0.59 -0.81 0.00 0.00 175.30 174.79 1rdu s PHE 89 N -1.51 1.08 -0.07 5.12 -0.71 -1.26 -3.85 117.98 116.78 1rdu s PHE 89 Ca 0.28 -1.29 -0.03 0.00 -1.04 0.00 0.00 56.93 54.85 1rdu s PHE 89 Cb -0.11 -0.57 0.04 0.00 -1.21 0.00 0.00 43.02 41.17 1rdu s PHE 89 CO 0.20 -0.54 0.16 -2.00 -1.34 0.00 0.00 175.22 171.71 1rdu s GLU 90 N -4.09 0.10 -0.08 1.99 2.12 -1.26 -4.13 118.70 113.36 1rdu s GLU 90 Ca 0.32 0.41 -0.00 0.00 0.36 0.00 0.00 54.97 56.06 1rdu s GLU 90 Cb 0.07 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1rdu s GLU 90 CO 0.08 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1rdu n GLY 91 N 4.31 -1.11 3.61 -1.50 0.00 -1.26 -5.03 105.19 104.21 1rdu n GLY 91 Ca -0.25 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.11 -0.33 0.69 -0.02 0.00 -1.26 -5.07 107.32 100.22 1rdu s GLY 92 Ca -0.00 1.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.99 1rdu s GLY 92 CO 0.20 0.39 0.96 -0.51 0.00 0.00 0.00 173.10 174.14 1rdu s THR 93 N -2.37 2.30 0.31 0.90 -4.23 -1.26 -1.96 115.64 109.34 1rdu s THR 93 Ca 0.11 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1rdu s THR 93 Cb 0.01 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.37 1rdu s THR 93 CO -0.04 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.26 1rdu h VAL 94 N -0.47 0.28 -0.63 2.29 2.07 -0.52 0.57 116.25 119.84 1rdu h VAL 94 Ca -0.40 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1rdu h VAL 94 Cb 1.28 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1rdu h VAL 94 CO 0.48 0.04 0.32 -0.61 0.02 0.00 0.00 177.57 177.82 1rdu h GLN 95 N 0.23 0.88 -0.32 1.57 4.15 -1.38 -2.68 115.11 117.56 1rdu h GLN 95 Ca 0.63 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.79 1rdu h GLN 95 Cb 1.36 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1rdu h GLN 95 CO -0.66 0.66 -0.44 0.93 -1.93 0.00 0.00 178.83 177.40 1rdu h GLU 96 N 0.88 0.86 -1.01 1.69 4.39 -1.23 0.20 114.58 120.37 1rdu h GLU 96 Ca 0.22 -0.50 0.24 0.00 0.34 0.00 0.00 59.36 59.66 1rdu h GLU 96 Cb 0.06 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 28.63 1rdu h GLU 96 CO -0.03 1.14 0.60 0.00 -1.16 0.00 0.00 179.01 179.56 1rdu h ALA 97 N 0.71 1.81 0.05 3.43 0.00 -1.05 0.24 119.26 124.45 1rdu h ALA 97 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rdu h ALA 97 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rdu h ALA 97 CO 0.10 -0.27 -0.03 0.82 0.00 0.00 0.00 179.25 179.87 1rdu h ILE 98 N 0.59 0.00 -0.03 0.00 1.08 -1.21 -2.89 117.51 115.04 1rdu h ILE 98 Ca 0.64 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1rdu h ILE 98 Cb 1.22 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1rdu h ILE 98 CO -0.46 0.00 0.11 0.44 -0.69 0.00 0.00 178.15 177.55 1rdu h ASP 99 N -0.98 0.00 0.00 1.72 3.32 -0.40 0.48 116.42 120.56 1rdu h ASP 99 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1rdu h ASP 99 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rdu h ASP 99 CO 0.01 0.00 -0.36 0.00 -1.72 0.00 0.00 179.24 177.18 1rdu h ALA 100 N 1.81 0.07 -0.01 3.45 0.00 -0.67 -3.34 119.26 120.56 1rdu h ALA 100 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rdu h ALA 100 Cb 0.24 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rdu h ALA 100 CO -0.00 0.22 -0.01 0.35 0.00 0.00 0.00 179.25 179.81 1rdu h PHE 101 N -1.00 -0.03 -0.61 0.00 3.57 -0.54 0.12 116.94 118.45 1rdu h PHE 101 Ca -0.09 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 101 Cb 0.85 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1rdu h PHE 101 CO 0.14 -0.02 0.19 0.66 -2.23 0.00 0.00 178.31 177.05 1rdu h SER 102 N -0.02 0.89 -0.67 0.41 4.64 -0.41 -1.06 113.55 117.33 1rdu h SER 102 Ca 0.01 -0.21 -0.42 0.00 -0.47 0.00 0.00 61.79 60.70 1rdu h SER 102 Cb 0.03 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 61.69 1rdu h SER 102 CO -0.02 0.87 0.54 -0.62 -0.87 0.00 0.00 176.83 176.73 1rdu n GLU 103 N -4.39 2.04 -1.41 4.77 -0.58 -1.23 -4.89 120.64 114.96 1rdu n GLU 103 Ca 0.04 -2.14 -0.13 0.00 -0.42 0.00 0.00 57.16 54.51 1rdu n GLU 103 Cb 0.21 -1.84 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 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 -0.27 1.14 2.17 0.62 0.00 -0.40 -4.86 105.19 103.59 1rdu n GLY 104 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.87 2.35 -4.30 1.61 1.74 0.42 -4.91 116.66 111.69 1rdu n ARG 105 Ca -0.13 -2.75 -0.16 0.00 -0.77 0.00 0.00 57.85 54.04 1rdu n ARG 105 Cb 0.42 -2.08 -0.10 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.16 1.61 -0.09 0.55 1.43 -1.25 -4.75 118.68 113.03 1rdu s LEU 106 Ca 0.54 -1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1rdu s LEU 106 Cb 0.43 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.67 1rdu s LEU 106 CO 0.02 -0.73 -0.03 -1.61 0.23 0.00 0.00 176.35 174.22 1rdu s GLU 107 N -4.04 2.97 -0.52 1.70 0.41 -1.25 -4.98 118.70 112.99 1rdu s GLU 107 Ca 0.37 -0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 54.17 1rdu s GLU 107 Cb 0.08 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 1rdu s GLU 107 CO 0.13 0.63 1.18 -2.00 -0.49 0.00 0.00 175.26 174.71 1rdu s GLU 108 N -0.70 3.62 -0.68 1.61 2.12 -1.26 -0.54 118.70 122.86 1rdu s GLU 108 Ca 0.11 0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.85 1rdu s GLU 108 Cb -0.11 -3.96 0.21 0.00 0.26 0.00 0.00 34.13 30.53 1rdu s GLU 108 CO 0.02 -1.53 2.37 -0.11 -0.54 0.00 0.00 175.26 175.46 1rdu n LEU 109 N 8.19 7.06 -1.67 2.70 7.94 0.12 -4.78 117.00 136.56 1rdu n LEU 109 Ca 0.11 -4.50 -0.10 0.00 -1.11 0.00 0.00 56.01 50.40 1rdu n LEU 109 Cb 0.49 -1.15 0.03 0.00 0.53 0.00 0.00 43.42 43.32 1rdu n LEU 109 CO 0.72 1.76 1.05 0.35 -1.11 0.00 0.00 177.39 180.15 1rdu n THR 110 N 0.15 2.32 0.00 1.96 -2.24 -1.25 -4.60 114.28 110.63 1rdu n THR 110 Ca 0.52 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1rdu n THR 110 Cb 0.38 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.51 0.00 -3.80 4.28 5.66 -1.26 -5.09 114.28 114.58 1rdu n THR 111 Ca 0.20 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.11 1rdu n THR 111 Cb 0.64 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.10 0.07 0.02 1.09 -0.12 -1.26 -5.12 117.98 112.56 1rdu s PHE 112 Ca 0.00 -0.44 -0.26 0.00 -0.05 0.00 0.00 56.93 56.18 1rdu s PHE 112 Cb 0.00 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1rdu s PHE 112 CO 0.00 -0.67 0.80 0.99 -0.05 0.00 0.00 175.22 176.29 1rdu s THR 113 N -3.87 4.79 -0.28 -4.49 2.01 -1.26 -5.03 115.64 107.51 1rdu s THR 113 Ca 0.08 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.79 1rdu s THR 113 Cb 0.03 -4.15 0.17 0.00 0.01 0.00 0.00 72.50 68.56 1rdu s THR 113 CO -0.08 0.31 0.47 -0.60 -0.69 0.00 0.00 174.62 174.03 1rdu s ARG 114 N 0.26 0.46 -0.58 4.92 6.06 -1.26 -5.09 118.95 123.72 1rdu s ARG 114 Ca 0.41 0.40 -0.28 0.00 -2.50 0.00 0.00 55.73 53.76 1rdu s ARG 114 Cb -0.20 -0.10 0.02 0.00 0.06 0.00 0.00 34.95 34.73 1rdu s ARG 114 CO 0.23 -0.93 1.31 -2.00 -2.50 0.00 0.00 175.30 171.42 1rdu s GLU 115 N 2.65 3.38 0.00 5.12 2.12 -1.26 -5.22 118.70 125.49 1rdu s GLU 115 Ca 0.12 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.80 1rdu s GLU 115 Cb -0.13 -4.08 0.03 0.00 0.26 0.00 0.00 34.13 30.21 1rdu s GLU 115 CO -0.26 -1.85 0.63 0.41 -0.54 0.00 0.00 175.26 173.65