#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 -1.76 0.23 3.17 0.00 -1.26 -5.04 121.76 117.10 1rdu s ALA 2 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1rdu s ALA 2 Cb 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 1rdu s ALA 2 CO 0.00 -1.06 0.61 1.03 0.00 0.00 0.00 175.76 176.35 1rdu s ARG 3 N -2.80 3.93 0.37 0.00 0.52 -1.24 -1.38 118.95 118.35 1rdu s ARG 3 Ca 0.16 0.47 0.08 0.00 -0.52 0.00 0.00 55.73 55.92 1rdu s ARG 3 Cb -0.01 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 1rdu s ARG 3 CO 0.02 0.32 0.10 0.54 0.02 0.00 0.00 175.30 176.29 1rdu s VAL 4 N -1.76 2.56 0.15 3.52 0.11 -0.32 -0.47 120.40 124.19 1rdu s VAL 4 Ca 0.47 -1.82 0.08 0.00 -2.93 0.00 0.00 61.98 57.77 1rdu s VAL 4 Cb -0.12 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 1rdu s VAL 4 CO 0.20 -0.12 -0.18 0.00 -3.33 0.00 0.00 175.10 171.67 1rdu s ALA 5 N -2.54 1.95 -0.03 1.54 0.00 -1.24 -3.12 121.76 118.32 1rdu s ALA 5 Ca 0.38 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1rdu s ALA 5 Cb 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1rdu s ALA 5 CO 0.21 0.25 0.00 0.42 0.00 0.00 0.00 175.76 176.64 1rdu s ILE 6 N -1.92 0.15 -0.72 0.00 1.09 -0.06 -0.39 121.20 119.33 1rdu s ILE 6 Ca 0.14 0.10 -0.25 0.00 -1.10 0.00 0.00 60.65 59.55 1rdu s ILE 6 Cb -0.06 -0.25 0.05 0.00 -1.06 0.00 0.00 42.46 41.14 1rdu s ILE 6 CO 0.06 0.14 1.15 -2.16 -0.10 0.00 0.00 174.94 174.02 1rdu s PRO 7 N 1.02 3.19 0.50 2.79 0.04 -1.26 -1.59 135.00 139.70 1rdu s PRO 7 Ca -0.10 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.40 1rdu s PRO 7 Cb -0.13 -4.28 0.03 0.00 0.04 0.00 0.00 34.50 30.15 1rdu s PRO 7 CO -0.02 -2.00 0.70 0.45 0.04 0.00 0.00 177.00 176.17 1rdu s SER 8 N 3.77 5.40 -0.27 6.66 0.15 0.32 -0.56 113.70 129.18 1rdu s SER 8 Ca 0.30 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.83 1rdu s SER 8 Cb -0.11 -0.74 0.46 0.00 -1.71 0.00 0.00 66.02 63.91 1rdu s SER 8 CO 0.11 -1.01 1.19 1.33 1.20 0.00 0.00 173.24 176.06 1rdu n VAL 9 N -2.16 2.40 -3.69 4.45 0.24 0.08 -2.32 118.33 117.33 1rdu n VAL 9 Ca 0.08 -3.97 0.01 0.00 -2.04 0.00 0.00 64.34 58.42 1rdu n VAL 9 Cb 0.59 -0.87 -0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -3.54 -0.33 -0.33 7.63 0.00 -1.26 -4.72 107.32 104.77 1rdu s GLY 10 Ca 0.48 0.49 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 1rdu s GLY 10 CO 0.02 0.90 1.92 0.28 0.00 0.00 0.00 173.10 176.22 1rdu n LYS 11 N -0.55 1.85 -3.89 2.90 5.02 -1.26 -4.79 118.16 117.45 1rdu n LYS 11 Ca -0.07 -1.71 -0.09 0.00 -2.02 0.00 0.00 58.31 54.42 1rdu n LYS 11 Cb 0.62 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1rdu n LYS 11 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rdu s ASP 12 N -0.06 0.14 0.12 4.39 -1.08 -1.26 -5.02 116.67 113.89 1rdu s ASP 12 Ca 0.34 -0.70 0.26 0.00 -0.52 0.00 0.00 52.55 51.92 1rdu s ASP 12 Cb 0.27 0.34 0.97 0.00 -1.46 0.00 0.00 42.92 43.04 1rdu s ASP 12 CO 0.01 -0.74 1.80 -0.11 0.52 0.00 0.00 175.17 176.65 1rdu n LEU 13 N -0.06 0.42 -1.67 -1.34 -0.00 -1.26 -2.08 117.00 111.01 1rdu n LEU 13 Ca -0.14 0.55 -0.15 0.00 -0.00 0.00 0.00 56.01 56.27 1rdu n LEU 13 Cb 0.62 -0.43 0.07 0.00 -0.00 0.00 0.00 43.42 43.68 1rdu n LEU 13 CO 0.23 -0.16 0.22 -0.24 -0.00 0.00 0.00 177.39 177.43 1rdu n SER 14 N -1.90 3.90 -4.90 1.96 2.88 -1.26 -1.24 113.62 113.06 1rdu n SER 14 Ca 0.05 -3.70 -0.29 0.00 -1.33 0.00 0.00 58.87 53.60 1rdu n SER 14 Cb 0.35 -0.39 0.08 0.00 -0.75 0.00 0.00 64.21 63.50 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1rdu s SER 15 N -3.49 4.69 0.35 -3.46 0.01 -0.88 -4.82 113.70 106.10 1rdu s SER 15 Ca 0.46 0.85 -0.25 0.00 1.31 0.00 0.00 55.95 58.33 1rdu s SER 15 Cb 0.40 -1.40 -0.10 0.00 0.21 0.00 0.00 66.02 65.13 1rdu s SER 15 CO 0.00 -1.80 0.96 -0.04 0.41 0.00 0.00 173.24 172.78 1rdu s MET 16 N -5.54 4.46 0.59 12.44 -1.94 -1.26 -0.40 119.30 127.65 1rdu s MET 16 Ca 0.61 1.32 -0.12 0.00 -1.71 0.00 0.00 55.69 55.79 1rdu s MET 16 Cb -0.11 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 1rdu s MET 16 CO 0.50 0.16 1.01 0.08 -0.01 0.00 0.00 175.02 176.76 1rdu s VAL 17 N -1.72 4.67 0.09 -6.03 1.01 -0.56 -0.74 120.40 117.12 1rdu s VAL 17 Ca 0.53 0.94 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1rdu s VAL 17 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1rdu s VAL 17 CO 0.22 -1.03 -0.19 -0.55 0.00 0.00 0.00 175.10 173.56 1rdu s SER 18 N -3.92 2.23 -0.16 3.32 0.15 0.28 -4.78 113.70 110.82 1rdu s SER 18 Ca 0.56 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1rdu s SER 18 Cb -0.11 -0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.28 1rdu s SER 18 CO 0.48 0.02 1.51 -0.67 1.20 0.00 0.00 173.24 175.78 1rdu n ASP 19 N 1.23 4.09 -3.53 5.45 -0.08 -1.26 -4.68 116.55 117.77 1rdu n ASP 19 Ca -0.20 -2.60 -0.00 0.00 -1.51 0.00 0.00 54.79 50.48 1rdu n ASP 19 Cb 0.54 -0.75 -0.04 0.00 2.34 0.00 0.00 41.12 43.20 1rdu n ASP 19 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1rdu s ARG 20 N -1.07 0.44 0.00 -0.67 0.52 -1.26 -4.11 118.95 112.80 1rdu s ARG 20 Ca 0.18 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1rdu s ARG 20 Cb 0.15 0.60 0.00 0.00 0.52 0.00 0.00 34.95 36.22 1rdu s ARG 20 CO 0.02 -0.15 0.88 0.34 0.02 0.00 0.00 175.30 176.42 1rdu n PHE 21 N 5.09 0.00 1.28 -0.53 7.35 -1.20 -3.16 117.46 126.30 1rdu n PHE 21 Ca -0.11 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.66 1rdu n PHE 21 Cb 0.51 -0.38 0.49 0.00 0.35 0.00 0.00 39.48 40.45 1rdu n PHE 21 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rdu n ALA 22 N -1.70 2.24 -2.60 3.13 0.00 -1.26 -1.41 120.51 118.90 1rdu n ALA 22 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1rdu n ALA 22 Cb 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.90 2.09 -1.44 0.00 5.12 -1.25 -4.86 116.66 115.42 1rdu n ARG 23 Ca 0.12 -3.67 -0.12 0.00 -1.93 0.00 0.00 57.85 52.25 1rdu n ARG 23 Cb 0.06 -1.69 0.07 0.00 -1.16 0.00 0.00 32.46 29.73 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 -0.43 -0.10 0.00 7.54 0.00 -0.50 -4.83 120.51 122.18 1rdu n ALA 24 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1rdu n ALA 24 Cb 0.82 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -2.03 2.31 -3.84 0.00 1.02 -0.98 -4.45 120.64 112.67 1rdu n GLU 25 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1rdu n GLU 25 Cb 0.29 -1.00 -0.13 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.99 -0.09 -0.32 -0.32 1.51 -1.01 -1.01 117.35 114.11 1rdu s TYR 26 Ca 0.00 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1rdu s TYR 26 Cb 0.00 0.03 0.10 0.00 -0.11 0.00 0.00 41.96 41.97 1rdu s TYR 26 CO 0.00 -0.04 0.05 -0.06 -1.11 0.00 0.00 175.55 174.39 1rdu s PHE 27 N 0.05 3.14 -0.22 2.71 0.08 0.12 -0.52 117.98 123.35 1rdu s PHE 27 Ca -0.00 -2.59 -0.28 0.00 0.12 0.00 0.00 56.93 54.18 1rdu s PHE 27 Cb -0.01 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1rdu s PHE 27 CO 0.00 -0.92 0.99 0.42 -0.10 0.00 0.00 175.22 175.61 1rdu s ILE 28 N 1.12 4.73 -0.31 0.64 -1.09 -0.62 -1.05 121.20 124.61 1rdu s ILE 28 Ca 0.09 1.94 -0.05 0.00 -2.23 0.00 0.00 60.65 60.40 1rdu s ILE 28 Cb -0.19 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1rdu s ILE 28 CO -0.12 -0.13 0.06 -0.63 -1.23 0.00 0.00 174.94 172.89 1rdu s ILE 29 N 2.96 3.62 -0.25 2.92 1.01 -0.72 -0.89 121.20 129.86 1rdu s ILE 29 Ca 0.43 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1rdu s ILE 29 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1rdu s ILE 29 CO 0.08 -0.04 0.20 -0.47 0.00 0.00 0.00 174.94 174.70 1rdu s TYR 30 N 1.40 3.29 -0.37 3.97 5.04 -1.18 -1.27 117.35 128.23 1rdu s TYR 30 Ca -0.01 0.23 -0.23 0.00 -2.44 0.00 0.00 57.07 54.62 1rdu s TYR 30 Cb -0.18 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.80 1rdu s TYR 30 CO 0.01 -0.02 0.78 0.34 -1.34 0.00 0.00 175.55 175.32 1rdu s ASP 31 N 1.29 6.54 0.00 4.32 -1.08 0.37 -1.17 116.67 126.95 1rdu s ASP 31 Ca 0.08 0.34 0.07 0.00 -0.52 0.00 0.00 52.55 52.52 1rdu s ASP 31 Cb -0.14 -2.39 0.42 0.00 -1.46 0.00 0.00 42.92 39.35 1rdu s ASP 31 CO 0.07 -0.73 1.08 0.35 0.52 0.00 0.00 175.17 176.46 1rdu n THR 32 N 5.79 0.00 -0.08 1.71 -2.24 -0.48 -0.67 114.28 118.30 1rdu n THR 32 Ca 0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 1rdu n THR 32 Cb 0.48 -0.25 -0.12 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 -0.64 0.68 -2.03 -0.78 1.02 -1.26 -4.31 120.64 113.31 1rdu n GLU 33 Ca 0.05 0.22 -0.07 0.00 -0.02 0.00 0.00 57.16 57.34 1rdu n GLU 33 Cb 0.02 -1.59 0.06 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.47 2.70 -2.39 1.62 2.88 -1.25 -5.00 113.62 108.72 1rdu n SER 34 Ca -0.41 -2.90 -0.09 0.00 -1.33 0.00 0.00 58.87 54.13 1rdu n SER 34 Cb 0.99 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.55 -0.42 3.93 0.46 0.00 0.15 -4.92 105.19 103.84 1rdu n GLY 35 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.01 6.15 0.11 1.61 2.47 -1.07 -4.83 114.94 117.38 1rdu s ASN 36 Ca 0.00 0.55 0.05 0.00 0.42 0.00 0.00 52.86 53.88 1rdu s ASN 36 Cb 0.00 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.80 1rdu s ASN 36 CO 0.00 -0.50 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.08 1rdu s VAL 37 N -2.51 1.11 0.07 -5.21 1.01 -1.26 -0.48 120.40 113.13 1rdu s VAL 37 Ca 0.44 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1rdu s VAL 37 Cb -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1rdu s VAL 37 CO 0.39 -0.54 -0.07 -1.83 0.00 0.00 0.00 175.10 173.05 1rdu s GLU 38 N -2.90 0.70 -0.34 2.72 -1.05 -0.40 -4.99 118.70 112.45 1rdu s GLU 38 Ca 0.08 -1.10 -0.03 0.00 -0.15 0.00 0.00 54.97 53.78 1rdu s GLU 38 Cb -0.03 -0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.50 1rdu s GLU 38 CO 0.01 0.01 0.07 0.08 0.95 0.00 0.00 175.26 176.38 1rdu s VAL 39 N -2.73 3.24 0.28 1.83 1.01 -1.26 -1.75 120.40 121.02 1rdu s VAL 39 Ca 0.03 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.23 1rdu s VAL 39 Cb -0.01 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 1rdu s VAL 39 CO -0.03 -0.27 0.96 -0.69 0.00 0.00 0.00 175.10 175.08 1rdu s VAL 40 N 1.26 4.05 -0.31 2.92 1.01 -0.22 -4.93 120.40 124.18 1rdu s VAL 40 Ca -0.01 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 1rdu s VAL 40 Cb -0.20 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1rdu s VAL 40 CO -0.01 0.34 0.06 -0.70 0.00 0.00 0.00 175.10 174.79 1rdu s GLU 41 N -1.57 2.70 -0.27 2.72 2.12 -1.26 -0.71 118.70 122.44 1rdu s GLU 41 Ca 0.45 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 1rdu s GLU 41 Cb -0.24 -3.33 0.09 0.00 0.26 0.00 0.00 34.13 30.91 1rdu s GLU 41 CO 0.30 -0.58 0.10 1.21 -0.54 0.00 0.00 175.26 175.75 1rdu s ASN 42 N 1.38 3.43 -0.83 -1.70 3.84 -0.18 -4.99 114.94 115.89 1rdu s ASN 42 Ca -0.01 -1.23 0.02 0.00 0.21 0.00 0.00 52.86 51.84 1rdu s ASN 42 Cb -0.19 -0.53 0.33 0.00 -0.55 0.00 0.00 41.25 40.32 1rdu s ASN 42 CO 0.01 -0.40 1.43 0.35 -2.79 0.00 0.00 177.10 175.70 1rdu n THR 43 N 5.11 4.77 -2.62 -5.21 -2.24 -1.26 -4.10 114.28 108.71 1rdu n THR 43 Ca -0.05 -5.81 -0.42 0.00 -2.27 0.00 0.00 64.05 55.49 1rdu n THR 43 Cb 0.44 -1.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 1rdu n THR 43 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1rdu s ILE 44 N -4.38 4.64 -0.23 2.28 -0.00 -1.26 -4.93 121.20 117.32 1rdu s ILE 44 Ca 0.43 1.91 0.23 0.00 -0.00 0.00 0.00 60.65 63.23 1rdu s ILE 44 Cb 0.23 -4.23 0.50 0.00 -0.00 0.00 0.00 42.46 38.96 1rdu s ILE 44 CO -0.13 0.03 1.12 0.00 -0.00 0.00 0.00 174.94 175.95 1rdu n ALA 45 N 4.86 2.57 -3.65 2.27 0.00 -1.26 -4.92 120.51 120.39 1rdu n ALA 45 Ca 0.09 -2.71 -0.08 0.00 0.00 0.00 0.00 53.44 50.74 1rdu n ALA 45 Cb 0.48 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1rdu n ALA 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rdu s ASP 46 N -3.60 -0.26 -0.45 0.00 1.47 -1.26 -5.09 116.67 107.47 1rdu s ASP 46 Ca 0.28 -0.60 0.09 0.00 1.18 0.00 0.00 52.55 53.50 1rdu s ASP 46 Cb 0.33 0.68 0.31 0.00 -0.34 0.00 0.00 42.92 43.89 1rdu s ASP 46 CO -0.05 -1.25 0.72 0.00 0.68 0.00 0.00 175.17 175.27 1rdu n ALA 47 N -0.43 2.94 -3.56 2.11 0.00 -1.26 -5.09 120.51 115.22 1rdu n ALA 47 Ca -0.05 -3.85 -0.08 0.00 0.00 0.00 0.00 53.44 49.46 1rdu n ALA 47 Cb 0.60 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1rdu n ALA 47 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1rdu s HIS 48 N -2.31 0.07 0.00 0.00 -3.43 -1.26 -5.17 115.29 103.19 1rdu s HIS 48 Ca 0.40 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 1rdu s HIS 48 Cb 0.26 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.89 1rdu s HIS 48 CO -0.09 -1.14 0.00 0.41 -2.00 0.00 0.00 174.74 171.92 1rdu n GLY 49 N -0.43 -2.26 3.75 -1.38 0.00 -1.26 -5.02 105.19 98.59 1rdu n GLY 49 Ca -0.03 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1rdu n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rdu s THR 50 N -3.23 2.66 0.00 2.61 2.01 -1.26 -4.95 115.64 113.48 1rdu s THR 50 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1rdu s THR 50 Cb 0.00 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1rdu s THR 50 CO 0.00 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1rdu n GLY 51 N -1.61 0.82 0.23 4.40 0.00 -1.26 -4.91 105.19 102.85 1rdu n GLY 51 Ca 0.07 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 0.08 0.00 1.61 0.13 -1.93 -3.46 132.00 128.42 1rdu h PRO 52 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1rdu h PRO 52 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1rdu h PRO 52 CO 0.00 0.26 0.00 1.63 -0.23 0.00 0.00 178.00 179.66 1rdu n LYS 53 N -4.29 0.00 0.16 0.86 5.02 -1.26 -3.68 118.16 114.98 1rdu n LYS 53 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1rdu n LYS 53 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.21 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 -0.00 -0.18 3.04 -1.96 -2.40 116.25 114.75 1rdu h VAL 54 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 1rdu h VAL 54 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 1rdu h VAL 54 CO 0.00 0.00 -0.20 0.58 -1.01 0.00 0.00 177.57 176.94 1rdu h VAL 55 N -0.64 0.52 -0.65 1.51 2.07 -1.96 -0.18 116.25 116.92 1rdu h VAL 55 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1rdu h VAL 55 Cb 0.58 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1rdu h VAL 55 CO -0.10 0.00 0.17 1.56 0.02 0.00 0.00 177.57 179.22 1rdu h GLN 56 N -0.32 0.30 -0.48 1.57 1.08 -1.82 0.15 115.11 115.58 1rdu h GLN 56 Ca 0.06 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1rdu h GLN 56 Cb 0.40 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1rdu h GLN 56 CO -0.19 0.20 -0.15 0.77 -0.95 0.00 0.00 178.83 178.51 1rdu h SER 57 N 0.31 0.93 0.25 1.46 0.02 -0.76 -1.81 113.55 113.95 1rdu h SER 57 Ca 0.34 -0.32 -0.28 0.00 -0.84 0.00 0.00 61.79 60.70 1rdu h SER 57 Cb 0.52 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.82 1rdu h SER 57 CO -0.41 1.08 -1.18 -0.07 -1.14 0.00 0.00 176.83 175.11 1rdu h LEU 58 N 0.82 0.73 -1.76 5.07 3.38 0.00 -3.13 115.31 120.43 1rdu h LEU 58 Ca 0.12 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1rdu h LEU 58 Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1rdu h LEU 58 CO 0.05 1.49 0.25 0.58 0.09 0.00 0.00 178.44 180.90 1rdu h VAL 59 N 0.24 0.97 0.00 1.22 2.07 -0.75 -0.26 116.25 119.73 1rdu h VAL 59 Ca -0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1rdu h VAL 59 Cb 1.85 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1rdu h VAL 59 CO 0.22 0.06 0.02 -1.20 0.02 0.00 0.00 177.57 176.68 1rdu n SER 60 N -4.48 0.39 -1.87 0.57 7.64 -0.68 -1.51 113.62 113.67 1rdu n SER 60 Ca 0.04 0.67 -0.22 0.00 1.01 0.00 0.00 58.87 60.38 1rdu n SER 60 Cb 0.23 -0.72 0.08 0.00 -1.01 0.00 0.00 64.21 62.78 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 -2.03 2.99 -1.91 1.43 4.01 -0.11 -4.97 118.16 117.58 1rdu n LYS 61 Ca -0.01 -3.75 -0.11 0.00 -0.51 0.00 0.00 58.31 53.92 1rdu n LYS 61 Cb 0.04 -2.17 -0.03 0.00 -0.51 0.00 0.00 35.03 32.37 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 -0.85 0.25 3.62 0.72 0.00 -0.57 -4.69 105.19 103.67 1rdu n GLY 62 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.26 3.21 -0.36 1.61 1.01 -1.25 -3.61 120.40 118.75 1rdu s VAL 63 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1rdu s VAL 63 Cb 0.00 -3.23 0.46 0.00 0.00 0.00 0.00 36.38 33.62 1rdu s VAL 63 CO 0.00 -0.10 1.40 -0.62 0.00 0.00 0.00 175.10 175.77 1rdu n GLU 64 N 8.11 3.04 -3.69 2.72 -0.58 0.38 -4.79 120.64 125.84 1rdu n GLU 64 Ca 0.24 -3.80 0.02 0.00 -0.42 0.00 0.00 57.16 53.20 1rdu n GLU 64 Cb 0.44 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1rdu n GLU 64 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1rdu s TYR 65 N -3.57 -0.02 -0.30 -0.32 2.02 -1.23 -3.53 117.35 110.40 1rdu s TYR 65 Ca 0.52 -0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.99 1rdu s TYR 65 Cb 0.43 0.54 0.20 0.00 -0.40 0.00 0.00 41.96 42.73 1rdu s TYR 65 CO 0.02 -0.23 1.23 -1.17 -1.57 0.00 0.00 175.55 173.83 1rdu s LEU 66 N -3.16 -0.11 -0.47 -1.29 2.96 -0.82 -3.63 118.68 112.16 1rdu s LEU 66 Ca 0.18 0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 54.12 1rdu s LEU 66 Cb 0.04 1.17 0.08 0.00 0.50 0.00 0.00 46.19 47.98 1rdu s LEU 66 CO -0.04 -0.03 0.38 -0.63 -1.32 0.00 0.00 176.35 174.71 1rdu s ILE 67 N 1.03 5.04 -0.17 6.68 1.01 0.47 0.43 121.20 135.69 1rdu s ILE 67 Ca -0.08 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 1rdu s ILE 67 Cb -0.02 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.50 1rdu s ILE 67 CO -0.11 -0.58 0.33 0.00 0.00 0.00 0.00 174.94 174.58 1rdu s ALA 68 N 1.60 -0.83 0.47 9.38 0.00 0.50 -4.09 121.76 128.79 1rdu s ALA 68 Ca 0.04 1.09 0.29 0.00 0.00 0.00 0.00 51.96 53.38 1rdu s ALA 68 Cb -0.24 -1.24 1.36 0.00 0.00 0.00 0.00 23.12 23.00 1rdu s ALA 68 CO 0.05 -0.81 1.75 0.66 0.00 0.00 0.00 175.76 177.42 1rdu h SER 69 N 8.23 0.22 -2.75 0.00 4.64 -1.72 -3.36 113.55 118.81 1rdu h SER 69 Ca -0.16 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 1rdu h SER 69 Cb 1.12 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1rdu h SER 69 CO 0.16 0.01 0.04 -3.20 -0.87 0.00 0.00 176.83 172.96 1rdu n ASN 70 N -4.42 -1.20 -4.96 4.97 2.85 -1.26 -4.77 115.26 106.47 1rdu n ASN 70 Ca 0.28 -2.16 -0.22 0.00 -0.11 0.00 0.00 54.58 52.38 1rdu n ASN 70 Cb 1.16 2.10 0.02 0.00 1.24 0.00 0.00 39.78 44.30 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1rdu s VAL 71 N -2.55 2.15 -0.32 3.44 0.11 -1.26 -3.21 120.40 118.76 1rdu s VAL 71 Ca 0.15 -1.24 0.10 0.00 -2.93 0.00 0.00 61.98 58.06 1rdu s VAL 71 Cb -0.02 -2.39 0.65 0.00 -1.53 0.00 0.00 36.38 33.09 1rdu s VAL 71 CO 0.11 0.00 1.69 0.61 -3.33 0.00 0.00 175.10 174.18 1rdu n GLY 72 N -1.91 4.16 7.00 6.54 0.00 -1.26 -4.00 105.19 115.72 1rdu n GLY 72 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.61 0.00 -3.83 1.61 0.63 -1.26 -4.59 116.66 108.61 1rdu n ARG 73 Ca 0.40 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 57.14 1rdu n ARG 73 Cb 1.29 0.00 0.01 0.00 0.45 0.00 0.00 32.46 34.21 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 -1.17 -1.67 0.00 6.15 5.15 -1.26 -4.39 115.26 118.07 1rdu n ASN 74 Ca 0.00 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1rdu n ASN 74 Cb 0.00 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 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 -2.55 0.00 -0.28 5.20 0.00 -1.26 -4.95 120.51 116.67 1rdu n ALA 75 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1rdu n ALA 75 Cb 0.23 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.03 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 0.87 -0.14 0.00 3.57 -2.01 -0.82 116.94 118.42 1rdu h PHE 76 Ca 0.00 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 76 Cb 0.00 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1rdu h PHE 76 CO 0.00 0.33 -0.57 0.93 -2.23 0.00 0.00 178.31 176.76 1rdu h GLU 77 N 0.74 0.43 0.00 1.11 5.08 -1.96 -2.70 114.58 117.28 1rdu h GLU 77 Ca 0.46 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1rdu h GLU 77 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1rdu h GLU 77 CO -0.22 0.88 0.00 2.41 -1.00 0.00 0.00 179.01 181.09 1rdu n THR 78 N -3.93 0.61 0.17 1.13 -1.04 -0.39 -1.52 114.28 109.31 1rdu n THR 78 Ca -0.03 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 1rdu n THR 78 Cb 0.61 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.40 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 -0.41 -2.03 -4.42 3.38 -1.03 -3.06 115.31 107.74 1rdu h LEU 79 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1rdu h LEU 79 Cb 0.69 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1rdu h LEU 79 CO 0.00 0.03 -0.03 0.07 0.09 0.00 0.00 178.44 178.60 1rdu h LYS 80 N -1.00 0.00 -0.14 1.13 2.10 -1.53 -0.76 116.57 116.37 1rdu h LYS 80 Ca -0.05 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 1rdu h LYS 80 Cb 0.51 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.78 1rdu h LYS 80 CO 0.08 0.03 -0.23 0.00 -2.00 0.00 0.00 179.45 177.33 1rdu h ALA 81 N 1.97 -0.19 -0.33 0.07 0.00 -1.29 -0.49 119.26 118.99 1rdu h ALA 81 Ca -0.00 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1rdu h ALA 81 Cb 0.06 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1rdu h ALA 81 CO 0.00 -0.69 0.26 0.00 0.00 0.00 0.00 179.25 178.82 1rdu n ALA 82 N -2.72 4.24 -3.58 0.00 0.00 -0.85 -4.86 120.51 112.74 1rdu n ALA 82 Ca -0.03 -1.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.10 1rdu n ALA 82 Cb 0.28 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 0.38 -0.41 3.77 0.00 0.00 -0.19 -4.93 105.19 103.82 1rdu n GLY 83 Ca 0.20 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.62 4.72 0.68 1.61 1.01 -0.35 -4.91 120.40 120.54 1rdu s VAL 84 Ca 0.48 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 1rdu s VAL 84 Cb -0.28 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1rdu s VAL 84 CO 0.59 0.45 1.07 -0.54 0.00 0.00 0.00 175.10 176.67 1rdu s LYS 85 N -0.54 3.11 -0.01 2.72 1.02 -1.23 -4.32 119.74 120.50 1rdu s LYS 85 Ca 0.33 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.95 1rdu s LYS 85 Cb -0.20 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1rdu s LYS 85 CO 0.21 -0.89 0.02 0.08 -0.92 0.00 0.00 175.35 173.84 1rdu s VAL 86 N -3.25 -0.01 0.21 3.17 1.01 -1.26 -1.94 120.40 118.34 1rdu s VAL 86 Ca 0.57 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1rdu s VAL 86 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1rdu s VAL 86 CO 0.53 0.01 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1rdu s TYR 87 N 0.11 2.55 0.24 5.22 1.51 0.17 -0.61 117.35 126.55 1rdu s TYR 87 Ca -0.01 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 1rdu s TYR 87 Cb -0.01 -1.21 -0.09 0.00 -0.11 0.00 0.00 41.96 40.53 1rdu s TYR 87 CO -0.00 0.55 0.99 0.50 -1.11 0.00 0.00 175.55 176.47 1rdu s ARG 88 N -3.01 4.79 0.30 -0.62 6.06 0.92 -0.37 118.95 127.02 1rdu s ARG 88 Ca 0.26 1.58 0.11 0.00 -2.50 0.00 0.00 55.73 55.18 1rdu s ARG 88 Cb -0.08 -3.26 -0.05 0.00 0.06 0.00 0.00 34.95 31.62 1rdu s ARG 88 CO 0.15 0.41 -0.17 -0.59 -2.50 0.00 0.00 175.30 172.61 1rdu s PHE 89 N -1.10 2.31 -0.44 5.12 -0.71 -1.26 -4.04 117.98 117.87 1rdu s PHE 89 Ca 0.42 -0.38 0.05 0.00 -1.04 0.00 0.00 56.93 55.98 1rdu s PHE 89 Cb -0.28 -1.10 0.17 0.00 -1.21 0.00 0.00 43.02 40.61 1rdu s PHE 89 CO 0.34 0.67 0.43 -2.00 -1.34 0.00 0.00 175.22 173.33 1rdu s GLU 90 N -3.54 0.94 0.06 1.99 2.12 -1.26 -3.81 118.70 115.20 1rdu s GLU 90 Ca 0.31 -1.85 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1rdu s GLU 90 Cb -0.03 -1.08 0.00 0.00 0.26 0.00 0.00 34.13 33.28 1rdu s GLU 90 CO 0.15 -1.37 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1rdu n GLY 91 N 2.88 -3.20 0.00 -1.50 0.00 -1.26 -5.13 105.19 96.98 1rdu n GLY 91 Ca 0.27 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.97 3.10 3.94 -0.02 0.00 -1.26 -4.87 105.19 105.12 1rdu n GLY 92 Ca 0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 2.24 0.33 2.61 -4.23 -1.26 -1.49 115.64 111.84 1rdu s THR 93 Ca 0.00 -0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1rdu s THR 93 Cb 0.00 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.22 1rdu s THR 93 CO 0.00 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.33 1rdu h VAL 94 N -0.68 0.34 -0.38 2.29 2.07 -0.80 -0.24 116.25 118.85 1rdu h VAL 94 Ca -0.43 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1rdu h VAL 94 Cb 1.30 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1rdu h VAL 94 CO 0.54 0.06 -0.05 -0.61 0.02 0.00 0.00 177.57 177.53 1rdu h GLN 95 N 0.34 0.62 -0.41 1.57 4.15 -1.45 -3.13 115.11 116.80 1rdu h GLN 95 Ca 0.69 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.85 1rdu h GLN 95 Cb 1.50 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 1rdu h GLN 95 CO -0.60 0.68 -0.09 0.93 -1.93 0.00 0.00 178.83 177.82 1rdu h GLU 96 N 0.58 0.79 -1.02 1.69 4.39 -1.35 0.22 114.58 119.87 1rdu h GLU 96 Ca 0.11 -0.30 0.28 0.00 0.34 0.00 0.00 59.36 59.79 1rdu h GLU 96 Cb 0.45 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.93 1rdu h GLU 96 CO 0.02 0.91 0.61 0.00 -1.16 0.00 0.00 179.01 179.40 1rdu h ALA 97 N 0.85 1.95 0.00 3.43 0.00 -1.46 0.24 119.26 124.27 1rdu h ALA 97 Ca 0.10 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1rdu h ALA 97 Cb 0.62 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1rdu h ALA 97 CO 0.04 -0.45 -0.66 0.82 0.00 0.00 0.00 179.25 179.00 1rdu h ILE 98 N 0.47 0.85 0.00 0.00 1.08 -1.37 -2.60 117.51 115.94 1rdu h ILE 98 Ca 0.66 -1.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1rdu h ILE 98 Cb 1.44 1.83 -0.00 0.00 -3.07 0.00 0.00 36.82 37.02 1rdu h ILE 98 CO -0.47 0.29 -0.00 0.44 -0.69 0.00 0.00 178.15 177.72 1rdu h ASP 99 N -1.00 0.00 0.26 1.72 3.32 -0.45 0.46 116.42 120.72 1rdu h ASP 99 Ca -0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1rdu h ASP 99 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1rdu h ASP 99 CO -0.09 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.30 1rdu h ALA 100 N 2.00 -0.35 -0.24 3.45 0.00 -0.65 -3.25 119.26 120.22 1rdu h ALA 100 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1rdu h ALA 100 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1rdu h ALA 100 CO 0.00 -0.33 -0.04 0.35 0.00 0.00 0.00 179.25 179.23 1rdu h PHE 101 N -1.08 -0.09 0.00 0.00 3.57 -0.89 0.26 116.94 118.71 1rdu h PHE 101 Ca -0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1rdu h PHE 101 Cb 0.30 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1rdu h PHE 101 CO 0.01 -0.08 -0.20 0.66 -2.23 0.00 0.00 178.31 176.47 1rdu h SER 102 N 0.02 0.00 -0.70 0.41 4.64 -0.30 -0.47 113.55 117.15 1rdu h SER 102 Ca 0.12 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.96 1rdu h SER 102 Cb 0.17 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.95 1rdu h SER 102 CO -0.23 0.20 -0.20 -0.62 -0.87 0.00 0.00 176.83 175.11 1rdu n GLU 103 N -3.70 2.89 -0.62 4.77 -0.58 -1.12 -4.97 120.64 117.31 1rdu n GLU 103 Ca -0.01 -3.69 0.00 0.00 -0.42 0.00 0.00 57.16 53.04 1rdu n GLU 103 Cb 0.32 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 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 -0.88 0.00 1.32 0.62 0.00 -0.19 -4.84 105.19 101.23 1rdu n GLY 104 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.03 1.00 -4.20 1.61 1.74 0.86 -4.79 116.66 112.91 1rdu n ARG 105 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1rdu n ARG 105 Cb 0.24 -1.00 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.00 1.24 0.07 0.55 1.43 -1.26 -4.73 118.68 115.99 1rdu s LEU 106 Ca 0.00 -1.46 0.07 0.00 -1.03 0.00 0.00 54.13 51.70 1rdu s LEU 106 Cb 0.00 0.66 -0.03 0.00 0.03 0.00 0.00 46.19 46.85 1rdu s LEU 106 CO 0.00 -0.98 -0.18 -1.61 0.23 0.00 0.00 176.35 173.82 1rdu s GLU 107 N -3.84 1.03 -0.68 1.70 0.41 -1.26 -4.99 118.70 111.07 1rdu s GLU 107 Ca 0.37 -1.00 -0.22 0.00 -0.41 0.00 0.00 54.97 53.71 1rdu s GLU 107 Cb 0.04 -1.16 0.08 0.00 -1.78 0.00 0.00 34.13 31.31 1rdu s GLU 107 CO 0.17 0.27 0.98 -2.00 -0.49 0.00 0.00 175.26 174.19 1rdu s GLU 108 N -1.62 3.16 -1.24 1.61 2.12 -1.26 -0.05 118.70 121.40 1rdu s GLU 108 Ca 0.03 -0.94 -0.08 0.00 0.36 0.00 0.00 54.97 54.34 1rdu s GLU 108 Cb -0.09 -4.30 -0.06 0.00 0.26 0.00 0.00 34.13 29.93 1rdu s GLU 108 CO 0.03 -1.81 2.94 -0.11 -0.54 0.00 0.00 175.26 175.76 1rdu n LEU 109 N 7.57 7.95 -1.81 2.70 7.94 0.22 -4.73 117.00 136.84 1rdu n LEU 109 Ca -0.01 -4.28 -0.16 0.00 -1.11 0.00 0.00 56.01 50.45 1rdu n LEU 109 Cb 0.46 -1.48 0.06 0.00 0.53 0.00 0.00 43.42 42.99 1rdu n LEU 109 CO 0.63 2.00 1.11 0.35 -1.11 0.00 0.00 177.39 180.36 1rdu n THR 110 N 2.86 2.57 -3.55 1.96 -2.24 -1.24 -4.65 114.28 109.99 1rdu n THR 110 Ca 0.68 -1.46 -0.15 0.00 -2.27 0.00 0.00 64.05 60.86 1rdu n THR 110 Cb 0.36 -1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 1rdu n THR 110 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rdu s THR 111 N -2.18 0.00 0.06 4.28 -4.23 -1.26 -5.05 115.64 107.26 1rdu s THR 111 Ca 0.32 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1rdu s THR 111 Cb 0.26 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 1rdu s THR 111 CO 0.02 0.00 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.57 1rdu s PHE 112 N -1.05 1.43 -0.42 3.99 0.40 -1.26 -5.09 117.98 115.98 1rdu s PHE 112 Ca -0.07 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1rdu s PHE 112 Cb -0.01 -0.82 0.30 0.00 0.51 0.00 0.00 43.02 43.00 1rdu s PHE 112 CO 0.06 0.09 0.80 0.25 0.70 0.00 0.00 175.22 177.11 1rdu n THR 113 N 1.54 -0.23 -3.50 0.64 -2.24 -1.26 -5.04 114.28 104.19 1rdu n THR 113 Ca -0.19 -3.14 -0.27 0.00 -2.27 0.00 0.00 64.05 58.17 1rdu n THR 113 Cb 0.54 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 1rdu n THR 113 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1rdu s ARG 114 N -0.90 0.31 -1.30 -0.78 6.06 -1.26 -5.04 118.95 116.04 1rdu s ARG 114 Ca 0.33 -0.72 -0.14 0.00 -2.50 0.00 0.00 55.73 52.70 1rdu s ARG 114 Cb 0.27 -1.13 0.11 0.00 0.06 0.00 0.00 34.95 34.26 1rdu s ARG 114 CO -0.11 -1.08 1.79 -1.91 -2.50 0.00 0.00 175.30 171.49 1rdu n GLU 115 N 4.89 3.27 0.00 5.12 2.13 -1.26 -5.22 120.64 129.57 1rdu n GLU 115 Ca -0.00 -3.36 0.00 0.00 0.66 0.00 0.00 57.16 54.46 1rdu n GLU 115 Cb 0.41 -3.20 0.00 0.00 0.27 0.00 0.00 31.44 28.93 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13