#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 -3.11 3.17 0.00 -1.23 -4.92 120.51 114.42 1rdu n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1rdu n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.94 3.57 0.06 0.00 0.52 -1.26 -0.23 118.95 119.68 1rdu s ARG 3 Ca 0.00 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1rdu s ARG 3 Cb 0.00 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1rdu s ARG 3 CO 0.00 0.08 0.23 0.54 0.02 0.00 0.00 175.30 176.17 1rdu s VAL 4 N 0.79 5.36 0.09 3.52 0.11 -0.99 -0.65 120.40 128.64 1rdu s VAL 4 Ca -0.01 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.83 1rdu s VAL 4 Cb -0.14 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1rdu s VAL 4 CO 0.02 0.15 -0.27 0.00 -3.33 0.00 0.00 175.10 171.67 1rdu s ALA 5 N -1.51 2.32 -0.11 1.54 0.00 -1.07 -2.12 121.76 120.81 1rdu s ALA 5 Ca 0.35 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1rdu s ALA 5 Cb -0.13 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1rdu s ALA 5 CO 0.27 0.54 -0.07 0.42 0.00 0.00 0.00 175.76 176.91 1rdu s ILE 6 N -0.95 0.96 -0.62 0.00 1.09 0.79 -1.36 121.20 121.11 1rdu s ILE 6 Ca 0.13 -0.26 -0.27 0.00 -1.10 0.00 0.00 60.65 59.15 1rdu s ILE 6 Cb -0.10 -0.99 -0.00 0.00 -1.06 0.00 0.00 42.46 40.31 1rdu s ILE 6 CO 0.04 0.36 1.66 -2.16 -0.10 0.00 0.00 174.94 174.74 1rdu s PRO 7 N 1.67 2.90 0.32 2.79 0.04 -1.26 -0.89 135.00 140.57 1rdu s PRO 7 Ca 0.04 0.44 0.06 0.00 0.04 0.00 0.00 61.00 61.58 1rdu s PRO 7 Cb -0.13 -4.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.11 1rdu s PRO 7 CO -0.07 -2.43 0.45 0.45 0.04 0.00 0.00 177.00 175.43 1rdu s SER 8 N 6.44 6.02 -0.27 6.66 0.15 0.08 -0.27 113.70 132.51 1rdu s SER 8 Ca 0.58 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 57.17 1rdu s SER 8 Cb -0.12 -1.33 0.46 0.00 -1.71 0.00 0.00 66.02 63.32 1rdu s SER 8 CO 0.21 -0.37 1.19 1.33 1.20 0.00 0.00 173.24 176.80 1rdu n VAL 9 N -1.60 2.34 -3.89 4.45 0.24 -0.78 -2.04 118.33 117.05 1rdu n VAL 9 Ca -0.02 -3.90 -0.01 0.00 -2.04 0.00 0.00 64.34 58.37 1rdu n VAL 9 Cb 0.58 -0.77 0.02 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.75 0.55 2.19 7.63 0.00 -1.26 -4.80 105.19 108.74 1rdu n GLY 10 Ca 0.36 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.69 3.10 -3.90 1.61 5.02 -1.26 -4.77 118.16 117.26 1rdu n LYS 11 Ca -0.00 -3.68 -0.11 0.00 -2.02 0.00 0.00 58.31 52.50 1rdu n LYS 11 Cb 0.51 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.13 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 -2.62 0.07 0.00 4.39 1.01 -1.26 -5.03 116.67 113.24 1rdu s ASP 12 Ca 0.59 -0.24 0.12 0.00 0.71 0.00 0.00 52.55 53.72 1rdu s ASP 12 Cb 0.47 0.17 0.72 0.00 1.01 0.00 0.00 42.92 45.29 1rdu s ASP 12 CO 0.01 -0.31 1.15 -0.11 0.21 0.00 0.00 175.17 176.12 1rdu n LEU 13 N 1.70 0.00 -2.21 1.23 -0.00 -1.26 -1.13 117.00 115.33 1rdu n LEU 13 Ca -0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.71 1rdu n LEU 13 Cb 0.56 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.03 1rdu n LEU 13 CO 0.21 0.00 0.10 -0.24 -0.00 0.00 0.00 177.39 177.46 1rdu n SER 14 N -0.90 2.80 -4.89 1.96 2.88 -1.26 -2.16 113.62 112.04 1rdu n SER 14 Ca 0.09 -2.83 -0.29 0.00 -1.33 0.00 0.00 58.87 54.51 1rdu n SER 14 Cb 0.04 -0.41 0.05 0.00 -0.75 0.00 0.00 64.21 63.13 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 -3.51 5.39 0.06 -3.46 1.04 -0.28 -4.76 113.70 108.18 1rdu s SER 15 Ca 0.38 0.98 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 1rdu s SER 15 Cb 0.37 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.64 1rdu s SER 15 CO -0.02 -1.32 1.04 -0.04 0.98 0.00 0.00 173.24 173.87 1rdu s MET 16 N -5.28 4.57 0.37 4.02 -1.94 -1.26 -0.20 119.30 119.58 1rdu s MET 16 Ca 0.57 1.54 -0.26 0.00 -1.71 0.00 0.00 55.69 55.84 1rdu s MET 16 Cb -0.11 -3.39 -0.09 0.00 2.01 0.00 0.00 34.83 33.25 1rdu s MET 16 CO 0.50 -0.02 1.08 0.08 -0.01 0.00 0.00 175.02 176.64 1rdu s VAL 17 N 0.64 3.57 -0.12 -6.03 1.01 -0.21 -1.86 120.40 117.40 1rdu s VAL 17 Ca 0.52 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.67 1rdu s VAL 17 Cb -0.24 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1rdu s VAL 17 CO 0.30 0.11 0.35 -0.55 0.00 0.00 0.00 175.10 175.30 1rdu s SER 18 N -1.33 6.55 -0.04 3.32 0.15 0.63 -4.81 113.70 118.17 1rdu s SER 18 Ca 0.54 0.65 -0.00 0.00 0.70 0.00 0.00 55.95 57.84 1rdu s SER 18 Cb -0.26 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1rdu s SER 18 CO 0.33 0.13 1.91 0.47 1.20 0.00 0.00 173.24 177.27 1rdu n ASP 19 N 3.22 5.26 -3.07 5.45 8.00 -1.26 -4.50 116.55 129.66 1rdu n ASP 19 Ca -0.12 -2.46 0.05 0.00 0.71 0.00 0.00 54.79 52.97 1rdu n ASP 19 Cb 0.52 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.25 0.13 0.08 -1.24 1.70 -1.25 -4.45 118.95 113.68 1rdu s ARG 20 Ca 0.04 0.08 -0.25 0.00 -0.47 0.00 0.00 55.73 55.14 1rdu s ARG 20 Cb 0.03 0.05 -0.16 0.00 -0.57 0.00 0.00 34.95 34.30 1rdu s ARG 20 CO 0.00 -0.23 1.70 0.35 -1.08 0.00 0.00 175.30 176.04 1rdu h PHE 21 N 6.82 -0.13 0.00 5.89 3.57 -1.41 -2.93 116.94 128.76 1rdu h PHE 21 Ca -0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1rdu h PHE 21 Cb 1.19 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1rdu h PHE 21 CO -0.15 -0.06 0.00 0.00 -2.23 0.00 0.00 178.31 175.88 1rdu n ALA 22 N -2.16 2.52 -3.25 2.41 0.00 -1.26 -2.89 120.51 115.88 1rdu n ALA 22 Ca -0.08 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 1rdu n ALA 22 Cb 0.09 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.83 1.22 -2.68 0.00 5.12 -1.12 -4.71 116.66 113.67 1rdu n ARG 23 Ca 0.14 -3.62 -0.16 0.00 -1.93 0.00 0.00 57.85 52.28 1rdu n ARG 23 Cb 0.07 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 29.91 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rdu n ALA 24 N 1.22 1.00 -0.00 7.54 0.00 -1.14 -4.65 120.51 124.48 1rdu n ALA 24 Ca 0.24 -1.73 0.01 0.00 0.00 0.00 0.00 53.44 51.96 1rdu n ALA 24 Cb 0.50 0.49 -0.03 0.00 0.00 0.00 0.00 19.45 20.41 1rdu n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rdu n GLU 25 N -2.01 0.59 -3.89 0.00 1.02 -0.87 -4.60 120.64 110.88 1rdu n GLU 25 Ca 0.12 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 1rdu n GLU 25 Cb 0.49 -1.09 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.24 0.15 -0.19 -0.32 1.51 -0.94 -1.27 117.35 114.05 1rdu s TYR 26 Ca -0.01 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1rdu s TYR 26 Cb 0.02 -0.09 0.06 0.00 -0.11 0.00 0.00 41.96 41.84 1rdu s TYR 26 CO 0.16 -0.43 0.02 -0.06 -1.11 0.00 0.00 175.55 174.12 1rdu s PHE 27 N -2.96 1.26 -0.07 2.71 0.08 0.05 -0.74 117.98 118.31 1rdu s PHE 27 Ca -0.02 -0.98 -0.24 0.00 0.12 0.00 0.00 56.93 55.82 1rdu s PHE 27 Cb 0.01 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1rdu s PHE 27 CO -0.06 -0.62 0.71 0.42 -0.10 0.00 0.00 175.22 175.57 1rdu s ILE 28 N 1.78 5.03 -0.28 0.64 -1.09 -0.06 -0.75 121.20 126.48 1rdu s ILE 28 Ca -0.01 1.47 0.02 0.00 -2.23 0.00 0.00 60.65 59.89 1rdu s ILE 28 Cb -0.17 -4.05 0.08 0.00 -1.58 0.00 0.00 42.46 36.74 1rdu s ILE 28 CO -0.08 0.24 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.23 1rdu s ILE 29 N 0.88 1.71 -0.31 2.92 1.01 -0.12 -0.15 121.20 127.14 1rdu s ILE 29 Ca 0.38 -1.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.23 1rdu s ILE 29 Cb -0.18 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1rdu s ILE 29 CO 0.18 -0.31 0.59 -0.47 0.00 0.00 0.00 174.94 174.92 1rdu s TYR 30 N 1.26 3.21 -0.69 3.97 5.04 -0.90 -1.55 117.35 127.69 1rdu s TYR 30 Ca 0.01 0.51 -0.22 0.00 -2.44 0.00 0.00 57.07 54.93 1rdu s TYR 30 Cb -0.19 -2.93 0.08 0.00 0.35 0.00 0.00 41.96 39.26 1rdu s TYR 30 CO -0.09 -0.46 0.98 0.34 -1.34 0.00 0.00 175.55 174.98 1rdu s ASP 31 N 1.65 6.22 -1.20 4.32 -1.08 0.03 -2.33 116.67 124.28 1rdu s ASP 31 Ca 0.23 -1.12 -0.08 0.00 -0.52 0.00 0.00 52.55 51.06 1rdu s ASP 31 Cb -0.15 -2.42 -0.11 0.00 -1.46 0.00 0.00 42.92 38.78 1rdu s ASP 31 CO 0.12 -1.40 2.89 0.35 0.52 0.00 0.00 175.17 177.65 1rdu n THR 32 N 5.88 3.70 0.00 1.71 -2.24 0.68 -2.62 114.28 121.39 1rdu n THR 32 Ca -0.01 -2.15 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 1rdu n THR 32 Cb 0.46 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 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 3.49 2.97 -2.02 -0.78 1.02 -1.26 -1.57 120.64 122.49 1rdu n GLU 33 Ca 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.77 1rdu n GLU 33 Cb 0.33 -0.30 0.04 0.00 -0.02 0.00 0.00 31.44 31.48 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rdu n SER 34 N -0.09 -0.59 0.00 1.62 2.88 -1.14 -4.99 113.62 111.31 1rdu n SER 34 Ca 0.00 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 1rdu n SER 34 Cb 0.00 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.68 0.00 3.76 0.46 0.00 -1.08 -4.98 105.19 102.67 1rdu n GLY 35 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1rdu n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rdu s ASN 36 N -1.99 4.56 0.36 1.61 -0.87 -1.25 -4.83 114.94 112.53 1rdu s ASN 36 Ca 0.00 1.94 0.03 0.00 -1.57 0.00 0.00 52.86 53.26 1rdu s ASN 36 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1rdu s ASN 36 CO 0.00 -2.00 0.09 -0.69 -2.57 0.00 0.00 177.10 171.93 1rdu s VAL 37 N -2.65 0.88 -0.06 1.60 1.01 -1.26 -0.79 120.40 119.13 1rdu s VAL 37 Ca 0.64 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.56 1rdu s VAL 37 Cb -0.19 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1rdu s VAL 37 CO 0.51 0.00 0.17 -0.70 0.00 0.00 0.00 175.10 175.08 1rdu s GLU 38 N -3.83 0.20 -0.49 2.72 2.56 -0.60 -4.94 118.70 114.32 1rdu s GLU 38 Ca 0.31 0.24 -0.16 0.00 0.00 0.00 0.00 54.97 55.36 1rdu s GLU 38 Cb 0.06 0.10 0.08 0.00 2.00 0.00 0.00 34.13 36.37 1rdu s GLU 38 CO 0.15 -0.03 0.43 0.08 -0.56 0.00 0.00 175.26 175.33 1rdu s VAL 39 N 0.10 5.20 0.36 3.70 1.01 -1.26 -0.95 120.40 128.56 1rdu s VAL 39 Ca -0.00 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1rdu s VAL 39 Cb -0.01 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1rdu s VAL 39 CO 0.00 -0.64 0.98 -0.69 0.00 0.00 0.00 175.10 174.74 1rdu s VAL 40 N 1.71 4.09 -0.02 2.92 1.01 0.08 -4.93 120.40 125.25 1rdu s VAL 40 Ca 0.05 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1rdu s VAL 40 Cb -0.25 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1rdu s VAL 40 CO 0.06 0.05 0.05 -0.70 0.00 0.00 0.00 175.10 174.56 1rdu s GLU 41 N -2.31 3.00 -0.22 2.72 2.12 -1.26 -0.77 118.70 121.99 1rdu s GLU 41 Ca 0.54 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 1rdu s GLU 41 Cb -0.19 -2.82 0.07 0.00 0.26 0.00 0.00 34.13 31.46 1rdu s GLU 41 CO 0.24 0.66 0.53 1.21 -0.54 0.00 0.00 175.26 177.35 1rdu s ASN 42 N -1.52 -0.69 -0.42 -1.70 3.04 -0.39 -4.89 114.94 108.36 1rdu s ASN 42 Ca 0.20 1.16 0.05 0.00 0.04 0.00 0.00 52.86 54.30 1rdu s ASN 42 Cb -0.12 1.05 0.44 0.00 -1.54 0.00 0.00 41.25 41.08 1rdu s ASN 42 CO 0.11 -0.21 1.33 0.35 -3.04 0.00 0.00 177.10 175.64 1rdu n THR 43 N 4.33 2.70 -0.90 -5.21 -2.24 -1.26 -4.25 114.28 107.45 1rdu n THR 43 Ca -0.22 -4.28 -0.10 0.00 -2.27 0.00 0.00 64.05 57.18 1rdu n THR 43 Cb 0.56 -1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 67.47 1rdu n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1rdu n ILE 44 N -0.65 2.76 -2.53 2.28 -0.00 -1.26 -4.69 119.36 115.26 1rdu n ILE 44 Ca 0.46 -1.31 -0.41 0.00 -0.00 0.00 0.00 62.75 61.49 1rdu n ILE 44 Cb 0.78 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.64 38.48 1rdu n ILE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rdu s ALA 45 N 0.92 2.71 0.19 -1.28 0.00 -1.26 -4.95 121.76 118.10 1rdu s ALA 45 Ca 0.55 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1rdu s ALA 45 Cb 0.26 -4.30 0.04 0.00 0.00 0.00 0.00 23.12 19.12 1rdu s ALA 45 CO 0.00 -3.37 0.48 -3.47 0.00 0.00 0.00 175.76 169.39 1rdu n ASP 46 N 9.47 -1.21 -3.20 0.00 2.03 -1.26 -5.10 116.55 117.28 1rdu n ASP 46 Ca 0.08 -1.79 -0.23 0.00 0.52 0.00 0.00 54.79 53.37 1rdu n ASP 46 Cb 0.49 2.00 -0.06 0.00 -0.72 0.00 0.00 41.12 42.84 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rdu n ALA 47 N -1.67 2.47 -3.74 -1.67 0.00 -1.26 -5.04 120.51 109.61 1rdu n ALA 47 Ca -0.09 -3.50 -0.30 0.00 0.00 0.00 0.00 53.44 49.55 1rdu n ALA 47 Cb 0.33 -0.84 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 1rdu n ALA 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rdu s HIS 48 N -1.56 1.69 0.00 0.00 3.76 -1.26 -5.01 115.29 112.92 1rdu s HIS 48 Ca 0.37 -1.69 -0.02 0.00 -0.15 0.00 0.00 55.06 53.56 1rdu s HIS 48 Cb 0.21 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 32.11 1rdu s HIS 48 CO -0.10 -0.86 2.31 0.41 -0.85 0.00 0.00 174.74 175.65 1rdu n GLY 49 N 4.85 2.34 2.57 -2.22 0.00 -1.26 -4.60 105.19 106.88 1rdu n GLY 49 Ca -0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1rdu n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rdu n THR 50 N 2.13 2.95 0.00 2.61 -1.04 -1.26 -4.97 114.28 114.71 1rdu n THR 50 Ca 0.18 -5.39 0.00 0.00 -2.04 0.00 0.00 64.05 56.80 1rdu n THR 50 Cb 0.57 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1rdu n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rdu n GLY 51 N 0.72 2.79 0.24 3.41 0.00 -1.26 -4.93 105.19 106.15 1rdu n GLY 51 Ca 0.30 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.35 0.00 1.61 0.13 -1.94 -3.46 132.00 128.69 1rdu h PRO 52 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1rdu h PRO 52 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1rdu h PRO 52 CO 0.00 0.53 0.00 1.63 -0.23 0.00 0.00 178.00 179.93 1rdu n LYS 53 N -4.19 0.00 0.13 0.86 5.02 -1.26 -4.03 118.16 114.69 1rdu n LYS 53 Ca -0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1rdu n LYS 53 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.30 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1rdu h VAL 54 N 0.00 0.00 -0.62 -0.18 3.04 -1.98 -2.58 116.25 113.93 1rdu h VAL 54 Ca 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1rdu h VAL 54 Cb 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.21 1rdu h VAL 54 CO 0.00 0.00 0.25 0.58 -1.01 0.00 0.00 177.57 177.39 1rdu h VAL 55 N -0.49 0.78 -0.84 1.51 2.07 -1.97 0.44 116.25 117.75 1rdu h VAL 55 Ca -0.03 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.49 1rdu h VAL 55 Cb 0.44 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 1rdu h VAL 55 CO -0.05 0.08 0.42 1.56 0.02 0.00 0.00 177.57 179.60 1rdu h GLN 56 N 0.44 0.58 0.35 1.57 1.08 -1.83 0.15 115.11 117.44 1rdu h GLN 56 Ca 0.31 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1rdu h GLN 56 Cb 0.38 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1rdu h GLN 56 CO -0.30 0.38 -0.17 1.03 -0.95 0.00 0.00 178.83 178.83 1rdu h SER 57 N 0.60 -0.40 -0.54 1.46 0.87 -0.58 -2.56 113.55 112.39 1rdu h SER 57 Ca 0.46 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1rdu h SER 57 Cb 0.67 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 1rdu h SER 57 CO -0.37 0.01 0.26 -0.07 -0.53 0.00 0.00 176.83 176.13 1rdu h LEU 58 N -0.89 0.35 -1.62 2.23 3.38 -0.39 0.18 115.31 118.54 1rdu h LEU 58 Ca -0.05 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1rdu h LEU 58 Cb 0.53 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1rdu h LEU 58 CO 0.08 0.23 0.40 0.58 0.09 0.00 0.00 178.44 179.82 1rdu h VAL 59 N 0.49 0.92 -0.54 1.22 2.07 -0.83 -0.77 116.25 118.81 1rdu h VAL 59 Ca 0.25 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 1rdu h VAL 59 Cb 0.20 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1rdu h VAL 59 CO -0.19 0.08 -0.08 0.28 0.02 0.00 0.00 177.57 177.68 1rdu h SER 60 N 0.44 0.98 -0.14 0.57 0.02 -0.23 -2.53 113.55 112.66 1rdu h SER 60 Ca 0.27 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1rdu h SER 60 Cb 0.48 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1rdu h SER 60 CO -0.08 1.08 0.11 0.29 -1.14 0.00 0.00 176.83 177.09 1rdu n LYS 61 N -4.16 1.22 -2.54 3.45 4.01 -0.33 -4.84 118.16 114.97 1rdu n LYS 61 Ca 0.02 -0.44 -0.03 0.00 -0.51 0.00 0.00 58.31 57.34 1rdu n LYS 61 Cb 0.38 -1.17 -0.00 0.00 -0.51 0.00 0.00 35.03 33.72 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 0.97 -0.50 3.66 0.72 0.00 -0.95 -4.85 105.19 104.24 1rdu n GLY 62 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.15 3.46 -0.26 1.61 1.01 -1.02 -4.08 120.40 118.97 1rdu s VAL 63 Ca 0.02 0.55 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1rdu s VAL 63 Cb -0.01 -3.38 0.44 0.00 0.00 0.00 0.00 36.38 33.44 1rdu s VAL 63 CO 0.02 -0.07 1.20 -0.62 0.00 0.00 0.00 175.10 175.64 1rdu n GLU 64 N 7.32 2.82 -3.59 2.72 1.02 0.17 -4.66 120.64 126.43 1rdu n GLU 64 Ca 0.18 -3.83 0.02 0.00 -0.02 0.00 0.00 57.16 53.51 1rdu n GLU 64 Cb 0.43 -2.02 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 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 -3.46 -0.03 -0.13 -0.32 2.02 -1.17 -2.07 117.35 112.18 1rdu s TYR 65 Ca 0.46 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 1rdu s TYR 65 Cb 0.39 0.52 0.13 0.00 -0.40 0.00 0.00 41.96 42.61 1rdu s TYR 65 CO -0.00 -0.15 1.02 -1.17 -1.57 0.00 0.00 175.55 173.67 1rdu s LEU 66 N -2.86 -0.32 -0.26 -1.29 2.96 -0.56 -2.60 118.68 113.75 1rdu s LEU 66 Ca 0.14 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1rdu s LEU 66 Cb 0.05 1.79 0.07 0.00 0.50 0.00 0.00 46.19 48.61 1rdu s LEU 66 CO -0.05 -0.38 0.01 -0.63 -1.32 0.00 0.00 176.35 173.98 1rdu s ILE 67 N -1.78 1.38 -0.26 6.68 1.01 -0.46 -0.51 121.20 127.26 1rdu s ILE 67 Ca 0.02 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.20 1rdu s ILE 67 Cb -0.01 -1.81 0.10 0.00 0.01 0.00 0.00 42.46 40.74 1rdu s ILE 67 CO -0.03 -0.31 0.61 0.00 0.00 0.00 0.00 174.94 175.21 1rdu s ALA 68 N 1.42 -1.74 0.54 9.38 0.00 0.57 -4.07 121.76 127.86 1rdu s ALA 68 Ca 0.01 2.18 0.22 0.00 0.00 0.00 0.00 51.96 54.36 1rdu s ALA 68 Cb -0.18 -1.47 1.47 0.00 0.00 0.00 0.00 23.12 22.94 1rdu s ALA 68 CO -0.11 -0.59 2.18 0.66 0.00 0.00 0.00 175.76 177.89 1rdu h SER 69 N 7.49 0.00 -2.65 0.00 4.64 -1.76 -3.34 113.55 117.92 1rdu h SER 69 Ca -0.25 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1rdu h SER 69 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1rdu h SER 69 CO 0.15 0.02 0.46 0.59 -0.87 0.00 0.00 176.83 177.19 1rdu n ASN 70 N -4.22 -1.90 -4.46 4.97 3.02 -1.26 -4.73 115.26 106.68 1rdu n ASN 70 Ca -0.03 -2.13 -0.22 0.00 -0.03 0.00 0.00 54.58 52.17 1rdu n ASN 70 Cb 0.10 3.11 -0.10 0.00 -0.61 0.00 0.00 39.78 42.28 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rdu s VAL 71 N -2.09 1.59 -0.98 2.41 0.11 -1.26 -1.27 120.40 118.91 1rdu s VAL 71 Ca 0.20 -2.08 0.28 0.00 -2.93 0.00 0.00 61.98 57.45 1rdu s VAL 71 Cb -0.04 -2.60 0.20 0.00 -1.53 0.00 0.00 36.38 32.41 1rdu s VAL 71 CO 0.08 -0.19 1.83 0.61 -3.33 0.00 0.00 175.10 174.09 1rdu n GLY 72 N -0.66 -1.47 0.00 6.54 0.00 -1.26 -4.63 105.19 103.72 1rdu n GLY 72 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1rdu n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rdu n ARG 73 N -1.55 0.00 0.00 1.61 1.85 -1.26 -4.84 116.66 112.47 1rdu n ARG 73 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1rdu n ARG 73 Cb 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.75 1rdu n ARG 73 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1rdu n ASN 74 N 0.00 0.00 0.00 2.89 6.94 -1.26 -4.67 115.26 119.16 1rdu n ASN 74 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1rdu n ASN 74 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rdu n ALA 75 N -3.00 0.00 -0.26 -2.53 0.00 -1.26 -4.73 120.51 108.73 1rdu n ALA 75 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1rdu n ALA 75 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.73 -0.13 0.00 3.57 -1.99 0.26 116.94 119.38 1rdu h PHE 76 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1rdu h PHE 76 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1rdu h PHE 76 CO 0.00 0.30 -0.26 0.93 -2.23 0.00 0.00 178.31 177.05 1rdu h GLU 77 N 0.69 0.23 0.00 1.11 4.39 -1.93 -1.72 114.58 117.35 1rdu h GLU 77 Ca 0.35 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1rdu h GLU 77 Cb 0.32 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1rdu h GLU 77 CO -0.24 0.48 0.00 1.15 -1.16 0.00 0.00 179.01 179.24 1rdu h THR 78 N 0.21 0.00 0.12 1.13 2.02 -1.51 -2.88 112.91 112.00 1rdu h THR 78 Ca 0.03 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1rdu h THR 78 Cb 0.57 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1rdu h THR 78 CO 0.04 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.80 1rdu h LEU 79 N 0.00 -0.14 -1.46 2.58 3.38 -0.09 -3.18 115.31 116.40 1rdu h LEU 79 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1rdu h LEU 79 Cb 0.87 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1rdu h LEU 79 CO 0.00 0.19 0.48 0.07 0.09 0.00 0.00 178.44 179.28 1rdu h LYS 80 N -0.76 0.58 -0.03 1.13 2.10 -1.62 -1.00 116.57 116.97 1rdu h LYS 80 Ca -0.02 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1rdu h LYS 80 Cb 0.13 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 1rdu h LYS 80 CO 0.03 0.38 -0.10 0.00 -2.00 0.00 0.00 179.45 177.76 1rdu h ALA 81 N 1.63 -0.08 -0.19 0.07 0.00 -1.64 -2.20 119.26 116.86 1rdu h ALA 81 Ca 0.34 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1rdu h ALA 81 Cb 0.53 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1rdu h ALA 81 CO -0.12 -0.58 0.15 0.00 0.00 0.00 0.00 179.25 178.70 1rdu n ALA 82 N -2.37 3.94 -3.08 0.00 0.00 -0.76 -4.82 120.51 113.42 1rdu n ALA 82 Ca -0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.62 1rdu n ALA 82 Cb 0.15 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 0.73 -0.48 3.54 0.00 0.00 -0.83 -4.84 105.19 103.32 1rdu n GLY 83 Ca 0.12 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.57 4.76 -0.40 1.61 1.01 -0.45 -4.71 120.40 119.66 1rdu s VAL 84 Ca 0.25 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1rdu s VAL 84 Cb -0.14 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1rdu s VAL 84 CO 0.31 -0.57 1.09 -0.75 0.00 0.00 0.00 175.10 175.18 1rdu s LYS 85 N 3.00 3.88 -0.06 2.72 2.20 -0.88 -4.26 119.74 126.35 1rdu s LYS 85 Ca 0.26 0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 56.48 1rdu s LYS 85 Cb -0.13 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 1rdu s LYS 85 CO 0.19 -1.14 0.50 0.08 -0.36 0.00 0.00 175.35 174.63 1rdu s VAL 86 N 4.02 5.06 0.17 4.02 1.01 -1.26 -1.50 120.40 131.93 1rdu s VAL 86 Ca 0.46 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.51 1rdu s VAL 86 Cb -0.10 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1rdu s VAL 86 CO 0.23 0.41 0.16 -0.31 0.00 0.00 0.00 175.10 175.59 1rdu s TYR 87 N -0.01 3.18 0.68 5.22 1.51 0.34 -0.47 117.35 127.80 1rdu s TYR 87 Ca 0.27 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 1rdu s TYR 87 Cb -0.16 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1rdu s TYR 87 CO 0.13 0.52 1.07 0.50 -1.11 0.00 0.00 175.55 176.66 1rdu s ARG 88 N -3.21 3.10 0.24 -0.62 3.52 0.54 -0.31 118.95 122.21 1rdu s ARG 88 Ca 0.31 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.53 1rdu s ARG 88 Cb -0.10 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1rdu s ARG 88 CO 0.24 -0.90 0.18 -0.59 -0.81 0.00 0.00 175.30 173.43 1rdu s PHE 89 N -3.26 1.30 -0.45 5.12 -0.71 -1.26 -4.17 117.98 114.54 1rdu s PHE 89 Ca 0.57 -1.44 0.06 0.00 -1.04 0.00 0.00 56.93 55.08 1rdu s PHE 89 Cb -0.11 -0.58 0.21 0.00 -1.21 0.00 0.00 43.02 41.33 1rdu s PHE 89 CO 0.53 -0.72 0.61 -0.85 -1.34 0.00 0.00 175.22 173.45 1rdu n GLU 90 N -0.37 0.55 -0.15 1.99 0.28 -1.26 -4.20 120.64 117.48 1rdu n GLU 90 Ca 0.03 -2.56 0.00 0.00 -0.16 0.00 0.00 57.16 54.47 1rdu n GLU 90 Cb 0.65 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.06 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rdu n GLY 91 N 2.22 -1.30 0.00 -1.84 0.00 -1.26 -5.15 105.19 97.86 1rdu n GLY 91 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 1.18 2.77 3.93 -0.02 0.00 -1.26 -4.96 105.19 106.83 1rdu n GLY 92 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 2.07 0.28 2.61 -4.23 -1.26 -1.05 115.64 112.06 1rdu s THR 93 Ca 0.00 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1rdu s THR 93 Cb 0.00 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.27 1rdu s THR 93 CO 0.00 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.25 1rdu h VAL 94 N -1.17 0.12 -0.60 2.29 2.07 -0.74 -0.64 116.25 117.59 1rdu h VAL 94 Ca -0.44 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1rdu h VAL 94 Cb 1.28 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1rdu h VAL 94 CO 0.50 0.01 0.35 -0.61 0.02 0.00 0.00 177.57 177.83 1rdu h GLN 95 N 0.04 0.81 -0.37 1.57 4.15 -1.73 -2.83 115.11 116.75 1rdu h GLN 95 Ca 0.51 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.80 1rdu h GLN 95 Cb 0.95 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1rdu h GLN 95 CO -0.86 0.58 0.01 0.93 -1.93 0.00 0.00 178.83 177.56 1rdu h GLU 96 N 0.82 0.65 -1.08 1.69 4.39 -1.45 0.32 114.58 119.94 1rdu h GLU 96 Ca 0.21 -0.20 0.29 0.00 0.34 0.00 0.00 59.36 60.00 1rdu h GLU 96 Cb -0.01 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.47 1rdu h GLU 96 CO -0.04 0.75 0.68 0.00 -1.16 0.00 0.00 179.01 179.25 1rdu h ALA 97 N 0.88 2.25 0.00 3.43 0.00 -1.24 0.26 119.26 124.85 1rdu h ALA 97 Ca 0.11 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1rdu h ALA 97 Cb 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1rdu h ALA 97 CO 0.02 -0.71 -0.80 0.82 0.00 0.00 0.00 179.25 178.58 1rdu h ILE 98 N 0.36 0.92 0.00 0.00 1.08 -1.18 -2.13 117.51 116.55 1rdu h ILE 98 Ca 0.64 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1rdu h ILE 98 Cb 1.65 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 1rdu h ILE 98 CO -0.35 0.31 0.00 0.47 -0.69 0.00 0.00 178.15 177.90 1rdu n ASP 99 N -4.52 0.47 -0.05 1.72 9.92 0.10 0.43 116.55 124.62 1rdu n ASP 99 Ca -0.22 0.68 -0.03 0.00 -0.53 0.00 0.00 54.79 54.69 1rdu n ASP 99 Cb 0.54 -0.76 -0.01 0.00 -0.64 0.00 0.00 41.12 40.25 1rdu n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdu h ALA 100 N 2.11 0.00 -0.71 2.24 0.00 -0.60 -3.37 119.26 118.93 1rdu h ALA 100 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1rdu h ALA 100 Cb 0.12 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1rdu h ALA 100 CO 0.00 0.33 0.38 0.35 0.00 0.00 0.00 179.25 180.31 1rdu h PHE 101 N -0.77 0.69 0.13 0.00 3.04 -0.68 0.14 116.94 119.48 1rdu h PHE 101 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1rdu h PHE 101 Cb 0.33 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1rdu h PHE 101 CO -0.14 0.29 -0.06 0.66 -2.02 0.00 0.00 178.31 177.04 1rdu h SER 102 N 0.67 -0.14 -0.27 0.41 4.64 -0.27 -2.06 113.55 116.52 1rdu h SER 102 Ca 0.33 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1rdu h SER 102 Cb 0.28 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 1rdu h SER 102 CO -0.22 -0.10 0.23 -0.62 -0.87 0.00 0.00 176.83 175.25 1rdu n GLU 103 N -5.16 1.44 -3.21 4.77 1.02 -1.07 -4.82 120.64 113.61 1rdu n GLU 103 Ca -0.08 -0.89 -0.18 0.00 -0.02 0.00 0.00 57.16 55.99 1rdu n GLU 103 Cb 0.10 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.67 -0.47 2.04 0.62 0.00 -0.77 -4.84 105.19 102.43 1rdu n GLY 104 Ca 0.17 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.25 2.67 -4.27 1.61 1.74 0.45 -4.96 116.66 110.65 1rdu n ARG 105 Ca 0.01 -3.42 -0.15 0.00 -0.77 0.00 0.00 57.85 53.51 1rdu n ARG 105 Cb 0.51 -2.19 -0.10 0.00 -1.02 0.00 0.00 32.46 29.67 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 -3.59 1.44 -0.07 0.55 1.43 -1.26 -4.73 118.68 112.45 1rdu s LEU 106 Ca 0.57 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1rdu s LEU 106 Cb 0.47 0.28 -0.03 0.00 0.03 0.00 0.00 46.19 46.94 1rdu s LEU 106 CO 0.02 -0.85 -0.09 -1.61 0.23 0.00 0.00 176.35 174.05 1rdu s GLU 107 N -3.98 2.76 -0.95 1.70 2.02 -1.26 -4.97 118.70 114.03 1rdu s GLU 107 Ca 0.38 -0.58 -0.23 0.00 0.02 0.00 0.00 54.97 54.56 1rdu s GLU 107 Cb 0.06 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.80 1rdu s GLU 107 CO 0.15 0.62 1.34 -2.00 0.02 0.00 0.00 175.26 175.39 1rdu s GLU 108 N -0.69 3.51 0.00 1.61 2.12 -1.26 -0.34 118.70 123.65 1rdu s GLU 108 Ca 0.10 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1rdu s GLU 108 Cb -0.11 -5.06 0.00 0.00 0.26 0.00 0.00 34.13 29.22 1rdu s GLU 108 CO 0.01 -2.10 1.77 -0.11 -0.54 0.00 0.00 175.26 174.30 1rdu n LEU 109 N 8.45 4.79 -1.98 2.70 7.94 0.38 -4.58 117.00 134.70 1rdu n LEU 109 Ca 0.25 -2.18 -0.21 0.00 -1.11 0.00 0.00 56.01 52.76 1rdu n LEU 109 Cb 0.50 -0.99 0.08 0.00 0.53 0.00 0.00 43.42 43.54 1rdu n LEU 109 CO 0.64 0.89 1.21 1.07 -1.11 0.00 0.00 177.39 180.09 1rdu n THR 110 N 1.37 2.88 0.00 1.96 5.66 -1.18 -4.05 114.28 120.91 1rdu n THR 110 Ca 0.00 -1.83 0.00 0.00 -3.05 0.00 0.00 64.05 59.17 1rdu n THR 110 Cb 0.48 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 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 -0.35 0.00 -3.85 1.09 5.66 -1.26 -4.96 114.28 110.62 1rdu n THR 111 Ca 0.42 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.30 1rdu n THR 111 Cb 0.89 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.01 -0.20 1.09 0.40 -1.26 -5.13 117.98 112.87 1rdu s PHE 112 Ca 0.00 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1rdu s PHE 112 Cb 0.00 -0.03 0.10 0.00 0.51 0.00 0.00 43.02 43.59 1rdu s PHE 112 CO 0.00 -0.02 0.24 0.95 0.70 0.00 0.00 175.22 177.09 1rdu s THR 113 N 0.18 -0.36 -0.03 0.64 -4.23 -1.26 -5.04 115.64 105.55 1rdu s THR 113 Ca -0.01 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1rdu s THR 113 Cb -0.02 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.16 1rdu s THR 113 CO -0.01 -0.18 0.23 -0.60 -0.54 0.00 0.00 174.62 173.53 1rdu s ARG 114 N 2.35 0.50 -0.32 3.99 6.06 -1.26 -5.10 118.95 125.18 1rdu s ARG 114 Ca 0.07 -0.13 0.06 0.00 -2.50 0.00 0.00 55.73 53.23 1rdu s ARG 114 Cb -0.15 0.22 0.46 0.00 0.06 0.00 0.00 34.95 35.54 1rdu s ARG 114 CO -0.12 -0.12 1.27 -1.91 -2.50 0.00 0.00 175.30 171.92 1rdu n GLU 115 N 1.76 3.46 0.00 5.12 4.07 -1.26 -4.81 120.64 128.98 1rdu n GLU 115 Ca -0.20 -4.06 0.00 0.00 -0.06 0.00 0.00 57.16 52.85 1rdu n GLU 115 Cb 0.56 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48