#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 -3.02 -5.12 0.00 -1.26 -4.93 120.51 106.18 1rdu n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1rdu n ALA 2 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.07 3.09 -0.13 0.00 0.52 -1.26 -0.45 118.95 119.64 1rdu s ARG 3 Ca 0.00 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1rdu s ARG 3 Cb 0.00 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1rdu s ARG 3 CO 0.00 0.26 -0.20 0.54 0.02 0.00 0.00 175.30 175.92 1rdu s VAL 4 N 0.18 1.92 -0.13 3.52 0.11 -0.66 -0.92 120.40 124.42 1rdu s VAL 4 Ca -0.11 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 57.99 1rdu s VAL 4 Cb -0.16 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1rdu s VAL 4 CO 0.06 0.52 0.10 0.00 -3.33 0.00 0.00 175.10 172.45 1rdu s ALA 5 N 0.89 3.68 -0.19 1.54 0.00 -0.84 -1.78 121.76 125.07 1rdu s ALA 5 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1rdu s ALA 5 Cb -0.15 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1rdu s ALA 5 CO -0.02 0.52 -0.13 0.42 0.00 0.00 0.00 175.76 176.55 1rdu s ILE 6 N -0.72 1.74 -0.25 0.00 1.09 -0.80 -1.54 121.20 120.72 1rdu s ILE 6 Ca 0.13 -0.95 -0.29 0.00 -1.10 0.00 0.00 60.65 58.44 1rdu s ILE 6 Cb -0.12 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.53 1rdu s ILE 6 CO 0.03 0.30 1.77 -2.16 -0.10 0.00 0.00 174.94 174.77 1rdu s PRO 7 N 1.38 3.55 0.38 2.79 0.04 -1.26 -1.62 135.00 140.27 1rdu s PRO 7 Ca 0.01 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1rdu s PRO 7 Cb -0.15 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 1rdu s PRO 7 CO -0.09 -1.59 0.13 0.45 0.04 0.00 0.00 177.00 175.93 1rdu s SER 8 N 5.41 4.41 -0.26 6.66 0.15 0.33 -0.13 113.70 130.27 1rdu s SER 8 Ca 0.79 -0.99 0.12 0.00 0.70 0.00 0.00 55.95 56.56 1rdu s SER 8 Cb -0.26 -0.55 0.46 0.00 -1.71 0.00 0.00 66.02 63.97 1rdu s SER 8 CO 0.32 -0.41 1.18 1.33 1.20 0.00 0.00 173.24 176.86 1rdu n VAL 9 N -1.14 2.11 -3.67 4.45 0.24 -0.76 -0.83 118.33 118.74 1rdu n VAL 9 Ca -0.02 -3.69 -0.04 0.00 -2.04 0.00 0.00 64.34 58.55 1rdu n VAL 9 Cb 0.63 -0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 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 -3.53 -0.32 -0.30 7.63 0.00 -1.26 -4.83 107.32 104.71 1rdu s GLY 10 Ca 0.44 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 1rdu s GLY 10 CO 0.00 0.12 1.99 0.58 0.00 0.00 0.00 173.10 175.79 1rdu n LYS 11 N -0.40 1.77 -4.08 2.90 2.85 -1.26 -4.73 118.16 115.21 1rdu n LYS 11 Ca -0.07 -1.51 -0.11 0.00 -1.05 0.00 0.00 58.31 55.57 1rdu n LYS 11 Cb 0.61 -1.59 -0.11 0.00 -0.65 0.00 0.00 35.03 33.29 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 0.22 0.79 0.25 -5.58 -1.08 -1.26 -5.02 116.67 104.98 1rdu s ASP 12 Ca 0.30 -0.70 0.25 0.00 -0.52 0.00 0.00 52.55 51.88 1rdu s ASP 12 Cb 0.23 0.08 0.67 0.00 -1.46 0.00 0.00 42.92 42.44 1rdu s ASP 12 CO -0.00 -0.32 1.70 0.25 0.52 0.00 0.00 175.17 177.32 1rdu h LEU 13 N 4.02 0.00 -3.79 -1.34 7.12 -1.98 -2.88 115.31 116.46 1rdu h LEU 13 Ca -0.35 -0.02 -0.55 0.00 0.13 0.00 0.00 57.88 57.09 1rdu h LEU 13 Cb 1.19 0.00 -0.35 0.00 -0.53 0.00 0.00 40.66 40.97 1rdu h LEU 13 CO 0.49 0.01 -0.19 -0.24 -0.13 0.00 0.00 178.44 178.38 1rdu n SER 14 N -2.42 5.56 -4.68 1.25 2.88 -1.26 -1.10 113.62 113.85 1rdu n SER 14 Ca 0.05 -3.77 -0.27 0.00 -1.33 0.00 0.00 58.87 53.55 1rdu n SER 14 Cb 0.45 -0.58 0.11 0.00 -0.75 0.00 0.00 64.21 63.44 1rdu n SER 14 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1rdu s SER 15 N -2.91 4.24 0.26 -3.46 1.04 -1.09 -4.86 113.70 106.92 1rdu s SER 15 Ca 0.55 0.35 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 1rdu s SER 15 Cb 0.44 -0.78 -0.09 0.00 0.10 0.00 0.00 66.02 65.70 1rdu s SER 15 CO 0.02 -1.99 0.96 -0.04 0.98 0.00 0.00 173.24 173.16 1rdu s MET 16 N -5.46 4.79 0.50 4.02 -1.94 -1.26 -1.02 119.30 118.93 1rdu s MET 16 Ca 0.65 1.50 -0.20 0.00 -1.71 0.00 0.00 55.69 55.93 1rdu s MET 16 Cb -0.08 -3.20 -0.08 0.00 2.01 0.00 0.00 34.83 33.48 1rdu s MET 16 CO 0.48 0.45 1.07 0.08 -0.01 0.00 0.00 175.02 177.08 1rdu s VAL 17 N -1.24 3.60 -0.13 -6.03 1.01 -0.83 -1.83 120.40 114.94 1rdu s VAL 17 Ca 0.43 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 1rdu s VAL 17 Cb -0.26 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1rdu s VAL 17 CO 0.32 -0.21 0.09 -0.55 0.00 0.00 0.00 175.10 174.74 1rdu s SER 18 N -1.91 5.91 -0.05 3.32 0.15 0.82 -4.84 113.70 117.10 1rdu s SER 18 Ca 0.69 0.27 -0.00 0.00 0.70 0.00 0.00 55.95 57.61 1rdu s SER 18 Cb -0.19 -1.90 0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1rdu s SER 18 CO 0.22 0.32 1.74 0.47 1.20 0.00 0.00 173.24 177.20 1rdu n ASP 19 N 2.55 4.84 -3.15 5.45 9.92 -1.26 -4.47 116.55 130.43 1rdu n ASP 19 Ca -0.18 -2.40 0.05 0.00 -0.53 0.00 0.00 54.79 51.72 1rdu n ASP 19 Cb 0.54 -0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 40.04 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdu s ARG 20 N -0.28 0.17 0.03 -1.24 1.70 -1.22 -3.98 118.95 114.14 1rdu s ARG 20 Ca 0.05 0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 55.34 1rdu s ARG 20 Cb 0.04 0.17 -0.17 0.00 -0.57 0.00 0.00 34.95 34.42 1rdu s ARG 20 CO 0.00 -0.18 1.35 0.35 -1.08 0.00 0.00 175.30 175.74 1rdu h PHE 21 N 7.98 -0.65 0.00 5.89 3.57 -1.47 -3.18 116.94 129.08 1rdu h PHE 21 Ca -0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1rdu h PHE 21 Cb 1.17 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1rdu h PHE 21 CO 0.08 -0.33 0.00 0.00 -2.23 0.00 0.00 178.31 175.83 1rdu n ALA 22 N -2.52 2.17 -3.43 2.41 0.00 -1.26 -2.67 120.51 115.22 1rdu n ALA 22 Ca -0.11 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 1rdu n ALA 22 Cb 0.32 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.00 0.80 -4.52 0.00 1.74 -1.22 -4.73 116.66 107.73 1rdu n ARG 23 Ca 0.14 -3.54 -0.25 0.00 -0.77 0.00 0.00 57.85 53.43 1rdu n ARG 23 Cb 0.06 -1.71 -0.11 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.73 2.77 -0.22 7.54 0.00 -1.09 -4.50 121.76 125.53 1rdu s ALA 24 Ca 0.33 -2.08 0.14 0.00 0.00 0.00 0.00 51.96 50.35 1rdu s ALA 24 Cb 0.07 0.14 -0.20 0.00 0.00 0.00 0.00 23.12 23.13 1rdu s ALA 24 CO -0.16 -0.05 0.41 0.39 0.00 0.00 0.00 175.76 176.35 1rdu n GLU 25 N -0.76 1.03 -3.89 0.00 1.02 -0.01 -4.34 120.64 113.68 1rdu n GLU 25 Ca -0.05 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 1rdu n GLU 25 Cb 0.65 -1.29 -0.09 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 -2.80 0.13 -0.33 -0.32 2.02 -0.93 -0.68 117.35 114.44 1rdu s TYR 26 Ca -0.02 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1rdu s TYR 26 Cb 0.10 -0.09 0.11 0.00 -0.40 0.00 0.00 41.96 41.67 1rdu s TYR 26 CO 0.60 -0.37 0.12 -0.06 -1.57 0.00 0.00 175.55 174.27 1rdu s PHE 27 N -2.36 1.78 -0.65 2.71 0.08 -1.13 -0.51 117.98 117.90 1rdu s PHE 27 Ca -0.07 -1.86 -0.28 0.00 0.12 0.00 0.00 56.93 54.84 1rdu s PHE 27 Cb -0.02 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1rdu s PHE 27 CO -0.03 -0.87 1.27 0.42 -0.10 0.00 0.00 175.22 175.91 1rdu s ILE 28 N 1.42 3.84 -0.57 0.64 -1.09 -0.64 -2.54 121.20 122.26 1rdu s ILE 28 Ca 0.11 0.64 -0.22 0.00 -2.23 0.00 0.00 60.65 58.95 1rdu s ILE 28 Cb -0.18 -4.77 0.06 0.00 -1.58 0.00 0.00 42.46 35.98 1rdu s ILE 28 CO -0.21 -1.56 0.85 -0.63 -1.23 0.00 0.00 174.94 172.17 1rdu s ILE 29 N 5.52 4.52 0.26 2.92 1.01 -0.13 -1.90 121.20 133.40 1rdu s ILE 29 Ca 0.41 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 1rdu s ILE 29 Cb -0.08 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 1rdu s ILE 29 CO 0.20 -1.13 0.75 -0.47 0.00 0.00 0.00 174.94 174.30 1rdu s TYR 30 N 3.57 3.57 -0.22 3.97 5.04 -0.73 -1.36 117.35 131.18 1rdu s TYR 30 Ca 0.23 1.38 0.02 0.00 -2.44 0.00 0.00 57.07 56.26 1rdu s TYR 30 Cb -0.16 -2.63 0.04 0.00 0.35 0.00 0.00 41.96 39.56 1rdu s TYR 30 CO 0.14 0.24 -0.14 0.34 -1.34 0.00 0.00 175.55 174.79 1rdu s ASP 31 N -1.83 3.81 0.00 4.32 -1.08 0.13 -1.66 116.67 120.35 1rdu s ASP 31 Ca 0.47 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 1rdu s ASP 31 Cb -0.15 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 1rdu s ASP 31 CO 0.20 -0.11 0.76 0.35 0.52 0.00 0.00 175.17 176.89 1rdu n THR 32 N 4.53 0.00 -0.11 1.71 -2.24 0.40 -0.31 114.28 118.27 1rdu n THR 32 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1rdu n THR 32 Cb 0.46 -0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.30 0.68 -2.33 -0.78 -0.58 -1.26 -4.30 120.64 111.77 1rdu n GLU 33 Ca 0.00 0.04 0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1rdu n GLU 33 Cb 0.09 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.90 0.98 -3.03 1.62 7.64 -1.22 -5.00 113.62 111.70 1rdu n SER 34 Ca -0.37 -2.03 -0.19 0.00 1.01 0.00 0.00 58.87 57.29 1rdu n SER 34 Cb 1.11 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.33 -0.49 3.87 0.23 0.00 0.58 -4.94 105.19 104.10 1rdu n GLY 35 Ca 0.03 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.48 6.38 0.03 1.61 3.84 -1.10 -4.83 114.94 118.39 1rdu s ASN 36 Ca 0.26 1.35 0.01 0.00 0.21 0.00 0.00 52.86 54.69 1rdu s ASN 36 Cb -0.13 -2.43 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 1rdu s ASN 36 CO 0.32 -0.69 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.20 1rdu s VAL 37 N -2.86 0.28 0.00 -5.21 1.01 -1.26 -0.70 120.40 111.67 1rdu s VAL 37 Ca 0.54 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1rdu s VAL 37 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1rdu s VAL 37 CO 0.43 -0.47 -0.16 -0.70 0.00 0.00 0.00 175.10 174.20 1rdu s GLU 38 N -1.58 1.22 -0.42 2.72 2.56 -0.47 -4.97 118.70 117.75 1rdu s GLU 38 Ca -0.13 -0.65 -0.19 0.00 0.00 0.00 0.00 54.97 54.01 1rdu s GLU 38 Cb -0.09 -1.20 0.02 0.00 2.00 0.00 0.00 34.13 34.85 1rdu s GLU 38 CO -0.01 0.32 0.51 0.08 -0.56 0.00 0.00 175.26 175.61 1rdu s VAL 39 N -0.51 4.99 0.44 3.70 1.01 -1.26 -0.96 120.40 127.81 1rdu s VAL 39 Ca 0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1rdu s VAL 39 Cb -0.07 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1rdu s VAL 39 CO 0.00 -0.48 0.96 -0.69 0.00 0.00 0.00 175.10 174.90 1rdu s VAL 40 N 2.39 4.32 -0.21 2.92 1.01 -1.05 -4.97 120.40 124.81 1rdu s VAL 40 Ca 0.16 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1rdu s VAL 40 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1rdu s VAL 40 CO 0.15 -0.34 -0.15 -0.70 0.00 0.00 0.00 175.10 174.07 1rdu s GLU 41 N -3.25 2.82 -0.42 2.72 2.12 -1.26 -2.83 118.70 118.60 1rdu s GLU 41 Ca 0.62 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1rdu s GLU 41 Cb -0.10 -2.73 0.14 0.00 0.26 0.00 0.00 34.13 31.71 1rdu s GLU 41 CO 0.15 -0.32 0.26 -0.80 -0.54 0.00 0.00 175.26 174.01 1rdu s ASN 42 N 1.26 3.09 -1.60 -1.70 0.02 0.15 -4.98 114.94 111.18 1rdu s ASN 42 Ca 0.01 -2.60 -0.10 0.00 -1.02 0.00 0.00 52.86 49.15 1rdu s ASN 42 Cb -0.15 -0.73 -0.09 0.00 0.02 0.00 0.00 41.25 40.30 1rdu s ASN 42 CO -0.09 -0.26 2.93 0.35 0.02 0.00 0.00 177.10 180.05 1rdu n THR 43 N 3.53 4.25 -3.33 1.60 -2.24 -1.26 -4.05 114.28 112.78 1rdu n THR 43 Ca 0.14 -2.53 -0.30 0.00 -2.27 0.00 0.00 64.05 59.09 1rdu n THR 43 Cb 0.38 -2.60 -0.04 0.00 -2.10 0.00 0.00 70.33 65.97 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 2.22 4.97 0.29 2.28 -1.09 -1.26 -5.10 121.20 123.51 1rdu s ILE 44 Ca 0.69 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 59.40 1rdu s ILE 44 Cb 0.18 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1rdu s ILE 44 CO -0.06 -0.23 0.12 0.00 -1.23 0.00 0.00 174.94 173.54 1rdu s ALA 45 N -1.99 1.94 -1.34 9.38 0.00 -1.26 -4.88 121.76 123.61 1rdu s ALA 45 Ca 0.46 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 1rdu s ALA 45 Cb -0.11 1.04 0.05 0.00 0.00 0.00 0.00 23.12 24.10 1rdu s ALA 45 CO 0.26 -0.46 1.93 -3.47 0.00 0.00 0.00 175.76 174.03 1rdu n ASP 46 N -0.71 4.43 -4.39 0.00 2.03 -1.26 -4.86 116.55 111.78 1rdu n ASP 46 Ca -0.00 -2.88 -0.20 0.00 0.52 0.00 0.00 54.79 52.23 1rdu n ASP 46 Cb 0.66 -1.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 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 4.10 2.14 0.09 -1.67 0.00 -1.26 -5.06 121.76 120.10 1rdu s ALA 47 Ca 0.52 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.36 1rdu s ALA 47 Cb 0.08 0.18 -0.14 0.00 0.00 0.00 0.00 23.12 23.24 1rdu s ALA 47 CO 0.02 -0.08 1.62 0.45 0.00 0.00 0.00 175.76 177.77 1rdu h HIS 48 N 2.39 -0.90 -4.64 0.00 3.86 -2.02 -3.48 115.15 110.37 1rdu h HIS 48 Ca -0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1rdu h HIS 48 Cb 1.23 0.34 0.00 0.00 1.06 0.00 0.00 27.41 30.04 1rdu h HIS 48 CO 0.67 -0.49 -0.16 0.41 0.86 0.00 0.00 177.93 179.22 1rdu n GLY 49 N -1.45 -1.04 3.75 2.45 0.00 -1.26 -4.89 105.19 102.74 1rdu n GLY 49 Ca -0.10 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.60 2.00 0.01 2.61 -4.23 -1.26 -4.68 115.64 107.50 1rdu s THR 50 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1rdu s THR 50 Cb -0.02 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1rdu s THR 50 CO 0.53 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1rdu n GLY 51 N 0.75 -1.86 0.12 3.99 0.00 -1.26 -4.75 105.19 102.19 1rdu n GLY 51 Ca 0.11 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.04 0.24 0.00 1.61 0.13 -1.89 -3.47 132.00 128.58 1rdu h PRO 52 Ca -0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rdu h PRO 52 Cb 0.04 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1rdu h PRO 52 CO 0.00 1.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.47 1rdu n LYS 53 N -3.61 0.00 0.33 0.86 4.01 -1.26 -3.72 118.16 114.77 1rdu n LYS 53 Ca -0.05 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.59 1rdu n LYS 53 Cb 0.89 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 35.33 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 0.27 -0.84 -0.18 3.04 -1.96 -3.26 116.25 113.32 1rdu h VAL 54 Ca 0.00 -0.26 0.06 0.00 -1.01 0.00 0.00 66.70 65.49 1rdu h VAL 54 Cb 0.00 0.35 -0.06 0.00 -2.01 0.00 0.00 31.29 29.57 1rdu h VAL 54 CO 0.00 0.03 0.52 0.58 -1.01 0.00 0.00 177.57 177.69 1rdu h VAL 55 N -1.04 1.04 -0.97 1.51 2.07 -1.98 -2.40 116.25 114.48 1rdu h VAL 55 Ca -0.09 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.27 1rdu h VAL 55 Cb 0.69 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1rdu h VAL 55 CO 0.14 0.17 0.58 0.06 0.02 0.00 0.00 177.57 178.54 1rdu h GLN 56 N 0.95 0.77 0.02 1.57 -0.00 -1.84 -0.28 115.11 116.30 1rdu h GLN 56 Ca 0.37 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1rdu h GLN 56 Cb 0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.47 1rdu h GLN 56 CO -0.17 0.51 -0.01 1.03 -0.00 0.00 0.00 178.83 180.19 1rdu h SER 57 N 0.79 -0.02 -0.67 0.06 0.87 -1.55 -2.91 113.55 110.12 1rdu h SER 57 Ca 0.54 -0.72 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1rdu h SER 57 Cb 0.75 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1rdu h SER 57 CO -0.35 0.74 0.41 -0.07 -0.53 0.00 0.00 176.83 177.03 1rdu h LEU 58 N -0.80 0.68 -0.16 2.23 3.38 -1.00 -0.73 115.31 118.90 1rdu h LEU 58 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1rdu h LEU 58 Cb 0.74 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1rdu h LEU 58 CO 0.00 0.47 -0.13 0.58 0.09 0.00 0.00 178.44 179.45 1rdu h VAL 59 N 0.81 0.64 0.00 1.22 2.07 -1.19 -1.38 116.25 118.42 1rdu h VAL 59 Ca 0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1rdu h VAL 59 Cb 0.03 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1rdu h VAL 59 CO -0.11 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.13 1rdu h SER 60 N -0.14 0.00 -0.61 0.57 0.87 -1.04 -1.48 113.55 111.72 1rdu h SER 60 Ca 0.10 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.27 1rdu h SER 60 Cb 0.29 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.07 1rdu h SER 60 CO -0.24 0.06 0.50 0.29 -0.53 0.00 0.00 176.83 176.91 1rdu n LYS 61 N -3.87 1.96 -3.57 2.24 5.02 -0.39 -4.90 118.16 114.65 1rdu n LYS 61 Ca -0.03 -1.96 -0.25 0.00 -2.02 0.00 0.00 58.31 54.05 1rdu n LYS 61 Cb 0.16 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.10 -0.47 3.75 0.72 0.00 -0.56 -4.95 105.19 103.59 1rdu n GLY 62 Ca 0.38 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.89 3.42 -0.16 1.61 1.01 -1.08 -4.17 120.40 118.14 1rdu s VAL 63 Ca 0.47 1.32 0.21 0.00 0.00 0.00 0.00 61.98 63.98 1rdu s VAL 63 Cb -0.26 -3.84 0.46 0.00 0.00 0.00 0.00 36.38 32.74 1rdu s VAL 63 CO 0.58 0.27 1.15 -0.62 0.00 0.00 0.00 175.10 176.48 1rdu n GLU 64 N 1.72 1.27 0.00 2.72 -0.58 -0.10 -4.73 120.64 120.94 1rdu n GLU 64 Ca 0.01 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.77 1rdu n GLU 64 Cb 0.44 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.25 0.00 -3.61 -0.32 4.01 -1.12 -2.39 117.16 113.49 1rdu n TYR 65 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.78 1rdu n TYR 65 Cb 0.94 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.92 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 -0.30 -0.32 7.72 2.96 -0.49 -1.98 118.68 126.27 1rdu s LEU 66 Ca 0.00 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1rdu s LEU 66 Cb 0.00 1.67 0.10 0.00 0.50 0.00 0.00 46.19 48.46 1rdu s LEU 66 CO 0.00 -0.23 0.05 -0.63 -1.32 0.00 0.00 176.35 174.22 1rdu s ILE 67 N -0.76 1.82 -0.25 6.68 1.01 -0.59 0.06 121.20 129.17 1rdu s ILE 67 Ca 0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 60.65 58.65 1rdu s ILE 67 Cb -0.02 -2.31 0.13 0.00 0.01 0.00 0.00 42.46 40.27 1rdu s ILE 67 CO -0.03 -0.56 0.50 0.00 0.00 0.00 0.00 174.94 174.85 1rdu s ALA 68 N 1.15 -1.57 0.61 9.38 0.00 0.44 -4.10 121.76 127.68 1rdu s ALA 68 Ca 0.09 1.62 0.33 0.00 0.00 0.00 0.00 51.96 54.00 1rdu s ALA 68 Cb -0.19 -1.69 1.95 0.00 0.00 0.00 0.00 23.12 23.20 1rdu s ALA 68 CO -0.13 -1.04 2.26 0.66 0.00 0.00 0.00 175.76 177.52 1rdu h SER 69 N 8.10 0.00 -5.30 0.00 4.64 -1.73 -3.39 113.55 115.87 1rdu h SER 69 Ca -0.19 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.28 1rdu h SER 69 Cb 1.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1rdu h SER 69 CO 0.18 0.00 0.48 0.20 -0.87 0.00 0.00 176.83 176.82 1rdu s ASN 70 N -5.82 -0.10 0.24 4.97 0.02 -1.26 -4.81 114.94 108.19 1rdu s ASN 70 Ca -0.05 -0.60 0.12 0.00 -1.02 0.00 0.00 52.86 51.31 1rdu s ASN 70 Cb 0.14 0.55 -0.05 0.00 0.02 0.00 0.00 41.25 41.92 1rdu s ASN 70 CO 0.51 -1.06 -0.22 0.54 0.02 0.00 0.00 177.10 176.89 1rdu s VAL 71 N -2.82 2.42 0.08 1.60 0.11 -1.26 -1.40 120.40 119.14 1rdu s VAL 71 Ca 0.16 -2.26 -0.16 0.00 -2.93 0.00 0.00 61.98 56.79 1rdu s VAL 71 Cb -0.02 -2.23 -0.10 0.00 -1.53 0.00 0.00 36.38 32.50 1rdu s VAL 71 CO 0.05 -0.29 1.41 1.23 -3.33 0.00 0.00 175.10 174.17 1rdu h GLY 72 N 2.65 0.66 0.00 6.54 0.00 -1.86 -3.45 103.07 107.61 1rdu h GLY 72 Ca -0.43 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.25 1rdu h GLY 72 CO 0.55 0.59 0.00 -2.13 0.00 0.00 0.00 176.54 175.56 1rdu n ARG 73 N -4.36 0.00 -0.36 4.80 0.63 -1.26 -5.00 116.66 111.11 1rdu n ARG 73 Ca -0.04 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.80 1rdu n ARG 73 Cb 0.43 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.30 1rdu n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1rdu n ASN 74 N 0.00 0.01 0.00 6.15 3.02 -1.26 -4.49 115.26 118.69 1rdu n ASN 74 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1rdu n ASN 74 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rdu n ALA 75 N 2.32 0.00 -0.15 5.41 0.00 -1.26 -4.86 120.51 121.97 1rdu n ALA 75 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1rdu n ALA 75 Cb 0.01 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.80 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 0.75 -0.33 0.00 3.57 -2.01 -0.52 116.94 118.41 1rdu h PHE 76 Ca 0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 76 Cb 0.00 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1rdu h PHE 76 CO 0.00 0.43 -0.38 0.93 -2.23 0.00 0.00 178.31 177.06 1rdu h GLU 77 N 0.78 0.84 0.00 1.11 5.08 -1.97 -2.70 114.58 117.71 1rdu h GLU 77 Ca 0.27 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1rdu h GLU 77 Cb 0.10 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1rdu h GLU 77 CO -0.08 1.10 -0.08 1.15 -1.00 0.00 0.00 179.01 180.11 1rdu h THR 78 N 0.62 0.43 0.11 1.13 2.02 -1.53 -1.48 112.91 114.22 1rdu h THR 78 Ca 0.04 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1rdu h THR 78 Cb 0.98 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1rdu h THR 78 CO 0.09 0.07 -0.05 -0.07 0.37 0.00 0.00 175.52 175.93 1rdu h LEU 79 N 0.00 -0.12 -1.86 2.58 3.38 -1.01 -3.27 115.31 114.99 1rdu h LEU 79 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1rdu h LEU 79 Cb 0.26 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rdu h LEU 79 CO 0.01 -0.05 0.19 0.07 0.09 0.00 0.00 178.44 178.75 1rdu h LYS 80 N -0.22 0.17 -0.76 1.13 2.10 -1.47 -0.73 116.57 116.78 1rdu h LYS 80 Ca -0.02 -0.01 0.17 0.00 -2.00 0.00 0.00 60.65 58.80 1rdu h LYS 80 Cb 0.11 -0.04 -0.13 0.00 -0.90 0.00 0.00 32.23 31.28 1rdu h LYS 80 CO 0.02 0.11 0.08 0.00 -2.00 0.00 0.00 179.45 177.66 1rdu h ALA 81 N 1.85 0.88 -0.98 0.07 0.00 -1.37 -0.23 119.26 119.47 1rdu h ALA 81 Ca 0.13 0.22 -0.62 0.00 0.00 0.00 0.00 54.91 54.63 1rdu h ALA 81 Cb 0.28 0.35 -0.30 0.00 0.00 0.00 0.00 17.79 18.13 1rdu h ALA 81 CO -0.02 -0.41 0.76 0.00 0.00 0.00 0.00 179.25 179.58 1rdu n ALA 82 N -2.83 6.06 -1.91 0.00 0.00 -0.46 -4.90 120.51 116.46 1rdu n ALA 82 Ca 0.14 -3.31 -0.11 0.00 0.00 0.00 0.00 53.44 50.16 1rdu n ALA 82 Cb 0.49 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.99 0.24 3.66 0.00 0.00 -0.10 -4.82 105.19 103.18 1rdu n GLY 83 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.26 4.74 0.66 1.61 1.01 -0.41 -4.69 120.40 121.07 1rdu s VAL 84 Ca 0.00 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.73 1rdu s VAL 84 Cb 0.00 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1rdu s VAL 84 CO 0.00 -0.13 1.05 -0.54 0.00 0.00 0.00 175.10 175.48 1rdu s LYS 85 N 3.01 3.26 -0.05 2.72 1.02 -1.00 -3.99 119.74 124.71 1rdu s LYS 85 Ca 0.41 0.76 -0.04 0.00 0.02 0.00 0.00 55.97 57.12 1rdu s LYS 85 Cb -0.15 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1rdu s LYS 85 CO 0.07 -0.82 0.13 0.08 -0.92 0.00 0.00 175.35 173.89 1rdu s VAL 86 N -3.17 -0.01 0.25 3.17 1.01 -1.26 -1.39 120.40 119.00 1rdu s VAL 86 Ca 0.56 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1rdu s VAL 86 Cb -0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1rdu s VAL 86 CO 0.54 0.02 -0.15 -0.31 0.00 0.00 0.00 175.10 175.20 1rdu s TYR 87 N 0.36 2.44 0.41 5.22 1.51 0.11 -0.23 117.35 127.17 1rdu s TYR 87 Ca -0.02 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.52 1rdu s TYR 87 Cb -0.04 -1.11 -0.10 0.00 -0.11 0.00 0.00 41.96 40.60 1rdu s TYR 87 CO -0.01 0.63 0.97 0.50 -1.11 0.00 0.00 175.55 176.52 1rdu s ARG 88 N -3.30 4.26 0.09 -0.62 6.06 0.71 -0.42 118.95 125.72 1rdu s ARG 88 Ca 0.28 1.24 0.00 0.00 -2.50 0.00 0.00 55.73 54.75 1rdu s ARG 88 Cb -0.06 -2.36 -0.04 0.00 0.06 0.00 0.00 34.95 32.55 1rdu s ARG 88 CO 0.15 -0.01 -0.03 -0.59 -2.50 0.00 0.00 175.30 172.32 1rdu s PHE 89 N -1.97 0.75 -0.41 5.12 -0.71 -1.26 -4.14 117.98 115.36 1rdu s PHE 89 Ca 0.59 -1.04 0.04 0.00 -1.04 0.00 0.00 56.93 55.49 1rdu s PHE 89 Cb -0.13 -0.47 0.17 0.00 -1.21 0.00 0.00 43.02 41.37 1rdu s PHE 89 CO 0.18 -0.31 0.45 -2.00 -1.34 0.00 0.00 175.22 172.20 1rdu s GLU 90 N -3.91 0.81 0.00 1.99 2.12 -1.26 -4.11 118.70 114.35 1rdu s GLU 90 Ca 0.12 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.24 1rdu s GLU 90 Cb 0.07 -0.73 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1rdu s GLU 90 CO -0.05 -1.28 0.00 0.41 -0.54 0.00 0.00 175.26 173.80 1rdu n GLY 91 N 3.60 -2.25 0.00 -1.50 0.00 -1.26 -5.14 105.19 98.64 1rdu n GLY 91 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.58 2.48 3.92 -0.02 0.00 -1.26 -4.99 105.19 105.91 1rdu n GLY 92 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 2.13 0.32 2.61 -4.23 -1.26 -1.97 115.64 111.24 1rdu s THR 93 Ca 0.00 -0.15 0.10 0.00 -1.18 0.00 0.00 61.69 60.46 1rdu s THR 93 Cb 0.00 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1rdu s THR 93 CO 0.00 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.34 1rdu h VAL 94 N -0.92 0.38 -0.49 2.29 2.07 -1.00 -1.18 116.25 117.40 1rdu h VAL 94 Ca -0.44 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1rdu h VAL 94 Cb 1.30 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1rdu h VAL 94 CO 0.57 0.07 0.25 -0.61 0.02 0.00 0.00 177.57 177.88 1rdu h GLN 95 N 0.38 0.67 -0.17 1.57 4.15 -1.42 -3.04 115.11 117.27 1rdu h GLN 95 Ca 0.67 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.97 1rdu h GLN 95 Cb 1.42 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 1rdu h GLN 95 CO -0.57 0.51 -0.11 0.93 -1.93 0.00 0.00 178.83 177.66 1rdu h GLU 96 N 0.68 0.37 -0.99 1.69 4.39 -1.53 0.86 114.58 120.05 1rdu h GLU 96 Ca 0.17 -0.17 0.26 0.00 0.34 0.00 0.00 59.36 59.96 1rdu h GLU 96 Cb 0.05 -0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.56 1rdu h GLU 96 CO -0.03 0.70 0.55 0.00 -1.16 0.00 0.00 179.01 179.08 1rdu h ALA 97 N 0.66 1.78 0.00 3.43 0.00 -1.43 0.30 119.26 124.00 1rdu h ALA 97 Ca 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rdu h ALA 97 Cb 0.60 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rdu h ALA 97 CO 0.03 -0.36 -0.20 0.82 0.00 0.00 0.00 179.25 179.54 1rdu h ILE 98 N 0.48 1.48 -1.01 0.00 1.08 -1.51 -1.59 117.51 116.45 1rdu h ILE 98 Ca 0.66 -2.18 0.02 0.00 -0.39 0.00 0.00 64.86 62.96 1rdu h ILE 98 Cb 1.32 2.87 -0.05 0.00 -3.07 0.00 0.00 36.82 37.88 1rdu h ILE 98 CO -0.52 0.50 0.66 -0.78 -0.69 0.00 0.00 178.15 177.33 1rdu h ASP 99 N -1.00 1.13 -0.01 1.72 1.82 -0.43 0.33 116.42 119.99 1rdu h ASP 99 Ca -0.05 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1rdu h ASP 99 Cb 0.95 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1rdu h ASP 99 CO -0.03 0.81 -0.04 0.00 -1.61 0.00 0.00 179.24 178.36 1rdu h ALA 100 N 1.38 0.02 -0.07 -0.78 0.00 -0.52 -3.01 119.26 116.28 1rdu h ALA 100 Ca 0.38 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rdu h ALA 100 Cb -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1rdu h ALA 100 CO -0.10 -0.11 -0.05 0.35 0.00 0.00 0.00 179.25 179.34 1rdu h PHE 101 N -0.62 -0.12 -0.67 0.00 3.57 -0.94 0.18 116.94 118.34 1rdu h PHE 101 Ca -0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1rdu h PHE 101 Cb 0.72 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1rdu h PHE 101 CO 0.16 -0.08 0.18 0.66 -2.23 0.00 0.00 178.31 177.00 1rdu h SER 102 N -0.06 0.99 -0.97 0.41 4.64 -0.42 -2.24 113.55 115.90 1rdu h SER 102 Ca 0.05 -0.20 -0.62 0.00 -0.47 0.00 0.00 61.79 60.55 1rdu h SER 102 Cb 0.12 -0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 61.65 1rdu h SER 102 CO -0.10 0.95 0.71 -0.62 -0.87 0.00 0.00 176.83 176.89 1rdu n GLU 103 N -4.25 2.61 -4.40 4.77 1.02 -1.14 -4.92 120.64 114.34 1rdu n GLU 103 Ca 0.05 -3.27 -0.36 0.00 -0.02 0.00 0.00 57.16 53.57 1rdu n GLU 103 Cb 0.24 -2.25 -0.09 0.00 -0.02 0.00 0.00 31.44 29.32 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 -0.97 -0.23 1.89 0.62 0.00 -0.84 -4.86 105.19 100.79 1rdu n GLY 104 Ca 0.60 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.38 2.89 -4.14 1.61 1.74 0.64 -4.99 116.66 110.02 1rdu n ARG 105 Ca -0.15 -3.67 -0.11 0.00 -0.77 0.00 0.00 57.85 53.15 1rdu n ARG 105 Cb 0.60 -2.16 -0.09 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.57 0.92 0.09 0.55 1.43 -1.22 -4.69 118.68 112.19 1rdu s LEU 106 Ca 0.53 -1.26 0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1rdu s LEU 106 Cb 0.44 0.78 -0.04 0.00 0.03 0.00 0.00 46.19 47.40 1rdu s LEU 106 CO 0.01 -0.93 -0.25 -1.61 0.23 0.00 0.00 176.35 173.81 1rdu s GLU 107 N -4.11 1.65 -0.30 1.70 0.41 -1.26 -4.96 118.70 111.84 1rdu s GLU 107 Ca 0.34 -1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 53.40 1rdu s GLU 107 Cb 0.05 -1.98 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 1rdu s GLU 107 CO 0.11 0.48 1.12 -2.00 -0.49 0.00 0.00 175.26 174.49 1rdu s GLU 108 N -1.74 4.08 -1.16 1.61 2.12 -1.26 -0.21 118.70 122.14 1rdu s GLU 108 Ca 0.14 1.17 -0.03 0.00 0.36 0.00 0.00 54.97 56.61 1rdu s GLU 108 Cb -0.10 -3.75 0.22 0.00 0.26 0.00 0.00 34.13 30.76 1rdu s GLU 108 CO 0.05 -0.89 2.12 -0.11 -0.54 0.00 0.00 175.26 175.89 1rdu n LEU 109 N 6.91 7.69 -1.84 2.70 7.94 0.68 -4.81 117.00 136.28 1rdu n LEU 109 Ca 0.13 -5.11 -0.15 0.00 -1.11 0.00 0.00 56.01 49.76 1rdu n LEU 109 Cb 0.47 -1.26 0.04 0.00 0.53 0.00 0.00 43.42 43.20 1rdu n LEU 109 CO 0.59 2.05 1.17 0.35 -1.11 0.00 0.00 177.39 180.43 1rdu n THR 110 N 0.81 2.66 0.00 1.96 -2.24 -1.26 -4.70 114.28 111.51 1rdu n THR 110 Ca 0.55 -1.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1rdu n THR 110 Cb 0.26 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 0.35 0.00 -3.57 4.28 5.66 -1.26 -5.12 114.28 114.61 1rdu n THR 111 Ca 0.28 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.20 1rdu n THR 111 Cb 0.62 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.38 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 -2.00 -0.33 -0.03 1.09 -0.12 -1.26 -5.12 117.98 110.21 1rdu s PHE 112 Ca 0.00 0.11 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1rdu s PHE 112 Cb 0.00 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1rdu s PHE 112 CO 0.00 -0.73 -0.02 0.99 -0.05 0.00 0.00 175.22 175.41 1rdu s THR 113 N -3.35 4.05 -0.12 -4.49 2.01 -1.26 -5.09 115.64 107.38 1rdu s THR 113 Ca 0.06 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1rdu s THR 113 Cb -0.01 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.81 1rdu s THR 113 CO -0.06 0.48 0.26 -0.60 -0.69 0.00 0.00 174.62 174.01 1rdu s ARG 114 N -1.23 0.19 -0.83 4.92 6.06 -1.26 -5.08 118.95 121.73 1rdu s ARG 114 Ca 0.16 0.64 -0.26 0.00 -2.50 0.00 0.00 55.73 53.78 1rdu s ARG 114 Cb -0.11 -0.08 0.03 0.00 0.06 0.00 0.00 34.95 34.85 1rdu s ARG 114 CO 0.06 -0.22 1.43 -2.00 -2.50 0.00 0.00 175.30 172.07 1rdu s GLU 115 N 1.79 3.23 0.00 5.12 2.12 -1.26 -5.30 118.70 124.39 1rdu s GLU 115 Ca -0.05 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1rdu s GLU 115 Cb -0.11 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.66 1rdu s GLU 115 CO -0.09 -2.29 0.00 0.41 -0.54 0.00 0.00 175.26 172.75