#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i n SER 2 N 0.00 2.70 -4.25 1.61 3.41 -1.26 -5.04 113.62 110.79 1x5i n SER 2 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1x5i n SER 2 Cb 0.00 0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1x5i n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5i n SER 3 N -1.40 0.39 -4.22 4.04 7.64 -1.26 -4.93 113.62 113.88 1x5i n SER 3 Ca 0.00 -1.25 -0.13 0.00 1.01 0.00 0.00 58.87 58.51 1x5i n SER 3 Cb 0.28 -1.79 -0.10 0.00 -1.01 0.00 0.00 64.21 61.59 1x5i n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5i s GLY 4 N -4.32 1.11 -0.08 0.23 0.00 -1.26 -5.16 107.32 97.83 1x5i s GLY 4 Ca 0.04 -1.53 -0.32 0.00 0.00 0.00 0.00 44.72 42.91 1x5i s GLY 4 CO 0.98 -1.51 1.20 -0.45 0.00 0.00 0.00 173.10 173.33 1x5i s SER 5 N -3.14 -0.12 0.36 1.64 0.15 -1.26 -5.19 113.70 106.14 1x5i s SER 5 Ca 0.21 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1x5i s SER 5 Cb 0.06 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1x5i s SER 5 CO 0.02 -0.33 0.23 -0.55 1.20 0.00 0.00 173.24 173.80 1x5i s SER 6 N -2.59 2.12 -0.41 5.45 0.15 -1.26 -5.13 113.70 112.03 1x5i s SER 6 Ca 0.11 -1.74 0.04 0.00 0.70 0.00 0.00 55.95 55.06 1x5i s SER 6 Cb 0.01 0.56 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 1x5i s SER 6 CO -0.04 -1.03 0.39 -0.83 1.20 0.00 0.00 173.24 172.93 1x5i s GLY 7 N -3.47 0.48 1.25 9.45 0.00 -1.26 -5.14 107.32 108.63 1x5i s GLY 7 Ca 0.34 -1.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.15 1x5i s GLY 7 CO 0.23 2.50 1.11 -1.55 0.00 0.00 0.00 173.10 175.39 1x5i n PRO 8 N 3.38 -3.19 -1.80 2.90 -0.04 -1.26 -5.04 135.00 129.96 1x5i n PRO 8 Ca 0.21 -1.78 -0.29 0.00 -0.04 0.00 0.00 63.50 61.60 1x5i n PRO 8 Cb 0.47 -1.66 0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i s ALA 9 N -3.02 2.45 -0.28 0.55 0.00 -1.26 -5.09 121.76 115.11 1x5i s ALA 9 Ca 0.72 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 1x5i s ALA 9 Cb -0.07 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.23 1x5i s ALA 9 CO 0.55 -1.77 1.28 -0.08 0.00 0.00 0.00 175.76 175.74 1x5i s THR 10 N -3.47 0.00 -0.31 0.00 -1.32 -1.26 -5.14 115.64 104.14 1x5i s THR 10 Ca 0.62 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.93 1x5i s THR 10 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1x5i s THR 10 CO 0.51 0.00 0.47 1.51 -2.21 0.00 0.00 174.62 174.89 1x5i s ASP 11 N -0.18 6.31 -0.64 8.08 -4.77 -1.26 -4.96 116.67 119.26 1x5i s ASP 11 Ca 0.06 0.14 -0.00 0.00 -3.30 0.00 0.00 52.55 49.45 1x5i s ASP 11 Cb -0.04 -2.25 0.43 0.00 -1.09 0.00 0.00 42.92 39.97 1x5i s ASP 11 CO -0.10 -0.36 1.85 -2.67 0.70 0.00 0.00 175.17 174.59 1x5i n TRP 12 N 5.57 3.12 0.44 2.11 2.14 -1.26 -4.69 117.44 124.87 1x5i n TRP 12 Ca -0.06 -2.76 -0.06 0.00 2.07 0.00 0.00 57.50 56.70 1x5i n TRP 12 Cb 0.50 -1.14 0.05 0.00 -0.81 0.00 0.00 31.31 29.90 1x5i n TRP 12 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1x5i n LEU 13 N -0.78 3.85 -1.67 5.67 4.77 -1.26 -4.49 117.00 123.09 1x5i n LEU 13 Ca 0.57 -1.98 -0.05 0.00 -0.03 0.00 0.00 56.01 54.51 1x5i n LEU 13 Cb 0.61 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1x5i n LEU 13 CO 0.64 0.62 1.15 -1.20 -1.33 0.00 0.00 177.39 177.28 1x5i n SER 14 N 0.09 5.53 -2.69 -1.43 7.64 -1.26 -4.55 113.62 116.94 1x5i n SER 14 Ca 0.15 -2.54 -0.32 0.00 1.01 0.00 0.00 58.87 57.16 1x5i n SER 14 Cb 0.78 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5i n ALA 15 N 1.48 6.49 -2.44 -0.43 0.00 -1.26 -4.52 120.51 119.82 1x5i n ALA 15 Ca 0.13 -3.49 -0.20 0.00 0.00 0.00 0.00 53.44 49.87 1x5i n ALA 15 Cb 0.58 -2.11 0.02 0.00 0.00 0.00 0.00 19.45 17.93 1x5i n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5i n GLU 16 N 0.37 2.86 -4.10 0.00 -0.58 -1.26 -5.06 120.64 112.87 1x5i n GLU 16 Ca 0.51 -4.08 -0.12 0.00 -0.42 0.00 0.00 57.16 53.05 1x5i n GLU 16 Cb 0.42 -1.99 -0.07 0.00 -0.57 0.00 0.00 31.44 29.23 1x5i n GLU 16 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1x5i s THR 17 N -4.66 0.00 0.37 2.62 -4.23 -1.26 -5.18 115.64 103.29 1x5i s THR 17 Ca 0.42 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1x5i s THR 17 Cb 0.41 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1x5i s THR 17 CO -0.07 0.00 0.05 0.72 -0.54 0.00 0.00 174.62 174.77 1x5i s PHE 18 N -3.81 2.09 0.28 3.99 -0.71 -1.26 -5.16 117.98 113.40 1x5i s PHE 18 Ca 0.31 -0.91 0.08 0.00 -1.04 0.00 0.00 56.93 55.37 1x5i s PHE 18 Cb 0.02 -1.43 -0.04 0.00 -1.21 0.00 0.00 43.02 40.36 1x5i s PHE 18 CO 0.14 0.11 0.11 -1.83 -1.34 0.00 0.00 175.22 172.41 1x5i s GLU 19 N -3.83 2.52 -0.32 1.99 -1.05 -1.26 -5.02 118.70 111.74 1x5i s GLU 19 Ca 0.33 -1.34 -0.02 0.00 -0.15 0.00 0.00 54.97 53.79 1x5i s GLU 19 Cb 0.08 -2.30 0.10 0.00 -0.44 0.00 0.00 34.13 31.57 1x5i s GLU 19 CO 0.15 0.30 2.44 0.45 0.95 0.00 0.00 175.26 179.55 1x5i n SER 20 N -1.07 6.29 -2.28 0.83 2.88 -1.26 -4.44 113.62 114.58 1x5i n SER 20 Ca -0.06 -3.02 -0.29 0.00 -1.33 0.00 0.00 58.87 54.17 1x5i n SER 20 Cb 0.59 -1.16 0.04 0.00 -0.75 0.00 0.00 64.21 62.93 1x5i n SER 20 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1x5i n ASP 21 N 0.81 5.93 -4.91 -3.46 5.75 -1.26 -5.03 116.55 114.38 1x5i n ASP 21 Ca 0.36 -3.77 -0.21 0.00 -0.01 0.00 0.00 54.79 51.17 1x5i n ASP 21 Cb 0.59 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1x5i s LEU 22 N -3.70 3.22 -0.46 -2.12 2.01 -1.26 -5.08 118.68 111.29 1x5i s LEU 22 Ca 0.54 -0.22 0.03 0.00 0.01 0.00 0.00 54.13 54.50 1x5i s LEU 22 Cb 0.44 -2.52 0.12 0.00 0.01 0.00 0.00 46.19 44.24 1x5i s LEU 22 CO -0.06 -1.30 0.21 -0.62 1.01 0.00 0.00 176.35 175.59 1x5i s ASP 23 N -4.52 4.25 -0.18 2.29 -1.08 -0.69 -4.92 116.67 111.82 1x5i s ASP 23 Ca 0.60 -2.72 -0.05 0.00 -0.52 0.00 0.00 52.55 49.85 1x5i s ASP 23 Cb -0.09 -1.49 -0.22 0.00 -1.46 0.00 0.00 42.92 39.67 1x5i s ASP 23 CO 0.39 -0.27 0.11 1.21 0.52 0.00 0.00 175.17 177.13 1x5i n GLU 24 N 3.48 0.70 -0.57 4.34 2.13 -1.26 -2.83 120.64 126.62 1x5i n GLU 24 Ca 0.05 0.25 0.44 0.00 0.66 0.00 0.00 57.16 58.56 1x5i n GLU 24 Cb 0.35 -1.63 0.68 0.00 0.27 0.00 0.00 31.44 31.10 1x5i n GLU 24 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5i n THR 25 N -3.53 0.00 -4.08 6.31 -2.24 -1.26 -4.13 114.28 105.34 1x5i n THR 25 Ca -0.38 1.29 -0.34 0.00 -2.27 0.00 0.00 64.05 62.34 1x5i n THR 25 Cb 0.99 -2.17 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5i s ARG 26 N -4.57 3.18 0.33 -0.78 1.70 -1.26 -4.92 118.95 112.64 1x5i s ARG 26 Ca -0.04 -0.36 -0.21 0.00 -0.47 0.00 0.00 55.73 54.64 1x5i s ARG 26 Cb 0.22 -2.95 -0.10 0.00 -0.57 0.00 0.00 34.95 31.55 1x5i s ARG 26 CO 0.74 0.69 0.86 0.14 -1.08 0.00 0.00 175.30 176.65 1x5i s VAL 27 N -1.11 4.43 -0.55 4.99 -7.23 -1.26 -4.72 120.40 114.95 1x5i s VAL 27 Ca 0.20 1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 61.54 1x5i s VAL 27 Cb -0.12 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 1x5i s VAL 27 CO 0.10 -0.03 1.83 -2.16 -0.31 0.00 0.00 175.10 174.52 1x5i s PRO 28 N -2.53 2.80 0.87 4.82 0.04 -1.26 -4.90 135.00 134.84 1x5i s PRO 28 Ca 0.53 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1x5i s PRO 28 Cb -0.14 -4.34 0.19 0.00 0.04 0.00 0.00 34.50 30.25 1x5i s PRO 28 CO 0.19 -2.52 0.42 0.39 0.04 0.00 0.00 177.00 175.51 1x5i n GLU 29 N 9.00 -1.84 -1.57 4.56 1.02 -1.26 -4.15 120.64 126.39 1x5i n GLU 29 Ca 0.21 -0.70 -0.46 0.00 -0.02 0.00 0.00 57.16 56.18 1x5i n GLU 29 Cb 0.51 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1x5i n VAL 30 N -4.29 1.68 -1.12 2.62 3.14 -1.26 -4.63 118.33 114.47 1x5i n VAL 30 Ca 0.07 -0.42 -0.29 0.00 -2.96 0.00 0.00 64.34 60.73 1x5i n VAL 30 Cb 0.29 -0.85 0.21 0.00 -1.06 0.00 0.00 33.84 32.43 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -1.16 -0.43 0.23 1.45 0.04 -1.26 -4.83 135.00 129.03 1x5i s PRO 31 Ca 0.63 0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 1x5i s PRO 31 Cb -0.77 -1.66 0.28 0.00 0.04 0.00 0.00 34.50 32.39 1x5i s PRO 31 CO 0.57 -3.24 1.84 0.66 0.04 0.00 0.00 177.00 176.87 1x5i h SER 32 N -2.25 0.73 -1.51 6.66 4.64 -1.74 -3.47 113.55 116.60 1x5i h SER 32 Ca -0.50 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.01 1x5i h SER 32 Cb 1.31 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1x5i h SER 32 CO 0.46 0.47 0.50 -1.54 -0.87 0.00 0.00 176.83 175.85 1x5i n SER 33 N -4.68 -0.85 -3.67 4.97 3.41 -1.26 -5.04 113.62 106.50 1x5i n SER 33 Ca 0.10 -1.29 -0.08 0.00 -0.26 0.00 0.00 58.87 57.35 1x5i n SER 33 Cb 0.16 1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 65.36 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.59 0.18 1.04 2.96 -1.26 -3.77 118.68 117.24 1x5i s LEU 34 Ca 0.17 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1x5i s LEU 34 Cb -0.01 1.56 -0.04 0.00 0.50 0.00 0.00 46.19 48.20 1x5i s LEU 34 CO 0.01 -0.22 0.10 -2.28 -1.32 0.00 0.00 176.35 172.64 1x5i s HIS 35 N 2.24 3.05 -0.18 5.38 5.65 0.19 -4.99 115.29 126.63 1x5i s HIS 35 Ca -0.05 -0.06 -0.08 0.00 0.25 0.00 0.00 55.06 55.12 1x5i s HIS 35 Cb -0.10 -1.46 0.07 0.00 -1.18 0.00 0.00 32.58 29.91 1x5i s HIS 35 CO -0.14 0.52 0.41 0.14 -0.65 0.00 0.00 174.74 175.02 1x5i s VAL 36 N -1.79 -0.33 -0.38 0.89 -7.23 -1.26 -1.54 120.40 108.76 1x5i s VAL 36 Ca 0.30 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.54 1x5i s VAL 36 Cb -0.10 -0.64 0.07 0.00 0.56 0.00 0.00 36.38 36.27 1x5i s VAL 36 CO 0.22 0.06 0.17 -0.13 -0.31 0.00 0.00 175.10 175.11 1x5i s ARG 37 N 2.00 2.51 -0.13 4.82 1.81 -0.42 -4.92 118.95 124.63 1x5i s ARG 37 Ca -0.06 -1.39 -0.29 0.00 -1.72 0.00 0.00 55.73 52.27 1x5i s ARG 37 Cb -0.10 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.78 1x5i s ARG 37 CO -0.13 -0.83 1.54 -1.25 -0.68 0.00 0.00 175.30 173.95 1x5i s PRO 38 N 1.36 4.08 0.19 3.54 0.04 -1.26 -1.20 135.00 141.75 1x5i s PRO 38 Ca 0.01 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.05 1x5i s PRO 38 Cb -0.21 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1x5i s PRO 38 CO 0.01 -0.94 -0.15 -0.51 0.04 0.00 0.00 177.00 175.45 1x5i s LEU 39 N 4.24 2.77 0.00 -3.56 1.02 0.16 -4.34 118.68 118.97 1x5i s LEU 39 Ca 0.68 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 54.13 1x5i s LEU 39 Cb -0.28 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1x5i s LEU 39 CO 0.26 0.10 0.41 0.52 0.02 0.00 0.00 176.35 177.66 1x5i n VAL 40 N 0.07 0.00 -1.30 -1.59 0.31 -1.26 -2.04 118.33 112.51 1x5i n VAL 40 Ca -0.11 0.67 0.05 0.00 -0.01 0.00 0.00 64.34 64.94 1x5i n VAL 40 Cb 0.56 -0.92 0.20 0.00 -0.91 0.00 0.00 33.84 32.76 1x5i n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x5i n THR 41 N -1.81 2.22 -4.09 2.52 -2.24 -1.26 -3.72 114.28 105.90 1x5i n THR 41 Ca 0.00 -2.59 -0.14 0.00 -2.27 0.00 0.00 64.05 59.05 1x5i n THR 41 Cb 0.00 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 1x5i n THR 41 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5i s SER 42 N -2.72 0.78 -0.30 3.42 0.01 -0.87 -2.19 113.70 111.84 1x5i s SER 42 Ca 0.39 -1.42 0.02 0.00 1.31 0.00 0.00 55.95 56.25 1x5i s SER 42 Cb 0.35 0.64 0.19 0.00 0.21 0.00 0.00 66.02 67.41 1x5i s SER 42 CO 0.00 -1.26 0.60 -0.63 0.41 0.00 0.00 173.24 172.36 1x5i s ILE 43 N -3.21 -1.00 -0.82 1.44 1.01 -0.40 0.39 121.20 118.60 1x5i s ILE 43 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.70 1x5i s ILE 43 Cb -0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1x5i s ILE 43 CO 0.19 0.00 1.72 -0.69 0.00 0.00 0.00 174.94 176.16 1x5i s VAL 44 N 2.85 3.56 -0.67 2.92 1.01 -0.34 -1.85 120.40 127.86 1x5i s VAL 44 Ca 0.16 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1x5i s VAL 44 Cb -0.12 -4.34 0.07 0.00 0.00 0.00 0.00 36.38 31.98 1x5i s VAL 44 CO -0.23 -1.27 1.00 -0.69 0.00 0.00 0.00 175.10 173.91 1x5i s VAL 45 N 8.12 4.25 -0.11 2.92 1.01 0.94 -1.30 120.40 136.23 1x5i s VAL 45 Ca 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1x5i s VAL 45 Cb -0.07 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 1x5i s VAL 45 CO 0.06 -1.51 0.01 -0.55 0.00 0.00 0.00 175.10 173.11 1x5i s SER 46 N 3.69 5.27 0.23 3.32 0.15 -0.59 0.29 113.70 126.07 1x5i s SER 46 Ca 0.24 0.11 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1x5i s SER 46 Cb -0.16 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1x5i s SER 46 CO 0.11 0.33 0.11 -2.67 1.20 0.00 0.00 173.24 172.31 1x5i n TRP 47 N 2.49 -0.07 -3.93 3.44 2.14 -0.76 0.55 117.44 121.30 1x5i n TRP 47 Ca -0.18 -1.57 -0.08 0.00 2.07 0.00 0.00 57.50 57.73 1x5i n TRP 47 Cb 0.53 0.05 -0.08 0.00 -0.81 0.00 0.00 31.31 31.00 1x5i n TRP 47 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1x5i s THR 48 N -2.55 0.16 0.72 -1.67 -4.23 -1.25 -4.78 115.64 102.04 1x5i s THR 48 Ca 0.15 -1.32 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1x5i s THR 48 Cb 0.01 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.56 1x5i s THR 48 CO 0.11 -0.73 1.10 -2.16 -0.54 0.00 0.00 174.62 172.40 1x5i s PRO 49 N -3.67 2.51 0.24 3.99 0.04 -1.26 -4.26 135.00 132.58 1x5i s PRO 49 Ca 0.04 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1x5i s PRO 49 Cb 0.05 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1x5i s PRO 49 CO -0.10 -1.46 1.27 -1.25 0.04 0.00 0.00 177.00 175.50 1x5i s PRO 50 N -4.53 4.42 0.32 0.56 0.04 -1.26 -3.58 135.00 130.96 1x5i s PRO 50 Ca 0.64 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.80 1x5i s PRO 50 Cb -0.19 -3.17 0.89 0.00 0.04 0.00 0.00 34.50 32.08 1x5i s PRO 50 CO 0.49 -0.17 1.60 0.93 0.04 0.00 0.00 177.00 179.90 1x5i h GLU 51 N 4.68 0.07 -6.44 4.56 4.39 -1.91 -3.34 114.58 116.60 1x5i h GLU 51 Ca -0.46 -0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.67 1x5i h GLU 51 Cb 1.22 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1x5i h GLU 51 CO 0.73 0.05 1.13 1.21 -1.16 0.00 0.00 179.01 180.97 1x5i s ASN 52 N -4.91 6.16 -0.49 1.42 3.84 -1.26 -4.88 114.94 114.83 1x5i s ASN 52 Ca -0.12 0.80 -0.01 0.00 0.21 0.00 0.00 52.86 53.75 1x5i s ASN 52 Cb 0.29 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.84 1x5i s ASN 52 CO 0.78 -1.58 1.97 0.00 -2.79 0.00 0.00 177.10 175.48 1x5i n GLN 53 N 8.30 2.24 -0.01 0.43 1.13 -1.26 -4.04 117.38 124.18 1x5i n GLN 53 Ca 0.17 -2.51 -0.00 0.00 -1.94 0.00 0.00 57.00 52.72 1x5i n GLN 53 Cb 0.48 -1.98 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 1x5i n GLN 53 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1x5i n ASN 54 N -0.46 3.98 -4.82 1.08 6.94 -1.26 -5.03 115.26 115.70 1x5i n ASN 54 Ca 0.48 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.70 1x5i n ASN 54 Cb 0.78 0.89 -0.06 0.00 -2.36 0.00 0.00 39.78 39.02 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1x5i s ILE 55 N -2.20 4.49 -0.10 1.53 1.01 -1.26 -1.71 121.20 122.96 1x5i s ILE 55 Ca -0.02 1.34 -0.26 0.00 0.00 0.00 0.00 60.65 61.71 1x5i s ILE 55 Cb 0.02 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1x5i s ILE 55 CO 0.18 -0.00 0.86 -0.69 0.00 0.00 0.00 174.94 175.28 1x5i s VAL 56 N -1.78 4.90 -0.17 2.92 1.01 -1.13 -4.89 120.40 121.26 1x5i s VAL 56 Ca 0.51 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 1x5i s VAL 56 Cb -0.14 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1x5i s VAL 56 CO 0.19 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1x5i s VAL 57 N 1.61 2.99 -0.10 2.92 1.01 -1.26 -4.62 120.40 122.96 1x5i s VAL 57 Ca 0.42 -0.65 0.22 0.00 0.00 0.00 0.00 61.98 61.97 1x5i s VAL 57 Cb -0.18 -2.29 -0.24 0.00 0.00 0.00 0.00 36.38 33.67 1x5i s VAL 57 CO 0.17 0.49 0.61 0.54 0.00 0.00 0.00 175.10 176.92 1x5i n ARG 58 N 4.13 0.65 -3.89 2.72 5.12 -1.14 -4.78 116.66 119.46 1x5i n ARG 58 Ca -0.19 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 1x5i n ARG 58 Cb 0.52 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1x5i n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5i n GLY 59 N 1.28 -2.38 3.07 -0.13 0.00 -1.15 -2.83 105.19 103.04 1x5i n GLY 59 Ca -0.05 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 1x5i n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5i s TYR 60 N -2.27 0.83 -0.16 1.61 1.51 -1.16 -1.88 117.35 115.84 1x5i s TYR 60 Ca 0.00 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1x5i s TYR 60 Cb 0.00 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1x5i s TYR 60 CO 0.00 -0.02 0.03 0.00 -1.11 0.00 0.00 175.55 174.45 1x5i s ALA 61 N -0.91 3.29 -0.17 3.71 0.00 -0.58 -2.09 121.76 125.01 1x5i s ALA 61 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1x5i s ALA 61 Cb -0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1x5i s ALA 61 CO 0.01 0.28 0.01 0.42 0.00 0.00 0.00 175.76 176.47 1x5i s ILE 62 N 0.10 4.29 -0.17 0.00 1.01 0.57 -2.58 121.20 124.42 1x5i s ILE 62 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1x5i s ILE 62 Cb -0.13 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1x5i s ILE 62 CO 0.01 0.47 -0.15 -0.83 0.00 0.00 0.00 174.94 174.45 1x5i s GLY 63 N 0.43 1.47 0.05 6.18 0.00 1.00 -0.37 107.32 116.09 1x5i s GLY 63 Ca -0.01 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.64 1x5i s GLY 63 CO 0.02 0.15 -0.10 -2.52 0.00 0.00 0.00 173.10 170.65 1x5i s TYR 64 N 1.03 0.86 0.00 1.90 1.13 -0.93 -0.44 117.35 120.90 1x5i s TYR 64 Ca -0.01 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 1x5i s TYR 64 Cb -0.15 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 1x5i s TYR 64 CO -0.04 -0.04 0.00 0.41 -2.51 0.00 0.00 175.55 173.38 1x5i n GLY 65 N 1.35 2.57 3.56 5.49 0.00 -1.20 -1.51 105.19 115.45 1x5i n GLY 65 Ca -0.22 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1x5i n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 66 N -2.00 3.51 0.00 -0.61 -1.09 -1.26 -3.15 121.20 116.59 1x5i s ILE 66 Ca 0.00 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1x5i s ILE 66 Cb 0.00 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1x5i s ILE 66 CO 0.00 -1.13 0.00 0.61 -1.23 0.00 0.00 174.94 173.19 1x5i n GLY 67 N 6.50 3.10 3.20 6.18 0.00 -1.26 -5.03 105.19 117.88 1x5i n GLY 67 Ca 0.32 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 68 N 0.00 -0.29 0.00 1.61 0.01 -1.20 -4.96 113.70 108.88 1x5i s SER 68 Ca 0.00 0.51 0.15 0.00 1.31 0.00 0.00 55.95 57.91 1x5i s SER 68 Cb 0.00 0.57 0.88 0.00 0.21 0.00 0.00 66.02 67.68 1x5i s SER 68 CO 0.00 -0.17 1.30 -0.81 0.41 0.00 0.00 173.24 173.97 1x5i n PRO 69 N 2.59 0.49 0.01 12.44 -0.04 -1.26 -2.87 135.00 146.37 1x5i n PRO 69 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1x5i n PRO 69 Cb 0.57 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1x5i n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5i h HIS 70 N 0.00 0.73 -0.71 0.54 3.86 -1.89 -2.99 115.15 114.68 1x5i h HIS 70 Ca 0.00 -0.30 0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1x5i h HIS 70 Cb 0.00 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.25 1x5i h HIS 70 CO 0.00 1.06 -0.38 0.00 0.86 0.00 0.00 177.93 179.47 1x5i n ALA 71 N -2.53 -0.36 -2.59 2.45 0.00 -1.14 -4.52 120.51 111.82 1x5i n ALA 71 Ca -0.04 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 1x5i n ALA 71 Cb 0.67 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1x5i n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x5i s GLN 72 N -5.44 0.71 -0.05 0.00 -0.21 -0.57 -5.03 119.66 109.06 1x5i s GLN 72 Ca -0.09 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 1x5i s GLN 72 Cb 0.10 -0.39 0.03 0.00 1.00 0.00 0.00 33.01 33.76 1x5i s GLN 72 CO 0.46 0.06 0.09 0.99 -2.12 0.00 0.00 175.29 174.76 1x5i s THR 73 N -2.15 -0.09 -0.19 -0.19 2.01 -1.26 -2.19 115.64 111.58 1x5i s THR 73 Ca -0.00 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 1x5i s THR 73 Cb -0.05 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 72.35 1x5i s THR 73 CO -0.01 0.11 0.00 -0.63 -0.69 0.00 0.00 174.62 173.40 1x5i s ILE 74 N 1.42 0.79 -0.16 1.82 1.01 0.50 -4.94 121.20 121.64 1x5i s ILE 74 Ca -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 1x5i s ILE 74 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1x5i s ILE 74 CO -0.04 -0.12 -0.07 -1.59 0.00 0.00 0.00 174.94 173.12 1x5i s LYS 75 N 1.74 3.51 0.50 2.79 -2.85 -1.26 -0.31 119.74 123.86 1x5i s LYS 75 Ca -0.01 -0.60 0.04 0.00 -1.00 0.00 0.00 55.97 54.40 1x5i s LYS 75 Cb -0.17 -2.84 0.04 0.00 -2.06 0.00 0.00 37.83 32.80 1x5i s LYS 75 CO -0.07 0.13 0.32 1.33 0.10 0.00 0.00 175.35 177.15 1x5i n VAL 76 N 3.82 0.00 -0.66 1.79 0.24 -0.89 -4.96 118.33 117.67 1x5i n VAL 76 Ca -0.18 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.34 59.96 1x5i n VAL 76 Cb 0.52 0.02 0.10 0.00 -1.47 0.00 0.00 33.84 33.02 1x5i n VAL 76 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1x5i n ASP 77 N -1.75 -1.58 0.12 -1.34 2.03 -1.26 -2.98 116.55 109.79 1x5i n ASP 77 Ca -0.05 -0.73 0.12 0.00 0.52 0.00 0.00 54.79 54.66 1x5i n ASP 77 Cb 0.58 -0.40 0.20 0.00 -0.72 0.00 0.00 41.12 40.78 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1x5i h TYR 78 N -2.06 0.00 -0.43 -0.67 -0.00 -1.83 -3.33 116.97 108.66 1x5i h TYR 78 Ca -0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.28 1x5i h TYR 78 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 37.11 1x5i h TYR 78 CO 0.00 0.00 0.36 1.63 -0.00 0.00 0.00 178.16 180.15 1x5i n LYS 79 N -2.52 1.70 -3.92 0.10 4.76 -1.26 -4.78 118.16 112.23 1x5i n LYS 79 Ca 0.03 -1.39 -0.30 0.00 -2.87 0.00 0.00 58.31 53.79 1x5i n LYS 79 Cb 0.48 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x5i s GLN 80 N -1.60 1.55 0.10 1.97 -1.52 -1.25 -5.00 119.66 113.91 1x5i s GLN 80 Ca 0.27 -0.87 -0.11 0.00 -1.95 0.00 0.00 55.36 52.70 1x5i s GLN 80 Cb 0.22 -2.46 -0.17 0.00 -0.22 0.00 0.00 33.01 30.37 1x5i s GLN 80 CO 0.00 -0.57 1.26 -0.09 -0.25 0.00 0.00 175.29 175.64 1x5i h ARG 81 N 8.00 0.65 -3.63 2.91 9.65 -1.91 -3.47 114.38 126.58 1x5i h ARG 81 Ca -0.19 -0.65 -0.14 0.00 -1.10 0.00 0.00 59.98 57.90 1x5i h ARG 81 Cb 1.08 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.78 1x5i h ARG 81 CO 0.41 1.25 -0.01 1.52 2.80 0.00 0.00 179.97 185.93 1x5i s TYR 82 N -3.44 0.58 -0.04 2.20 1.13 -1.26 -1.82 117.35 114.70 1x5i s TYR 82 Ca -0.09 -0.99 -0.02 0.00 -1.41 0.00 0.00 57.07 54.56 1x5i s TYR 82 Cb 0.08 0.29 0.02 0.00 -1.10 0.00 0.00 41.96 41.26 1x5i s TYR 82 CO 0.90 -1.25 0.09 -0.47 -2.51 0.00 0.00 175.55 172.31 1x5i s TYR 83 N -3.04 -0.08 -0.67 -3.49 5.04 0.15 -4.96 117.35 110.29 1x5i s TYR 83 Ca 0.23 0.28 -0.18 0.00 -2.44 0.00 0.00 57.07 54.97 1x5i s TYR 83 Cb -0.02 -0.08 0.13 0.00 0.35 0.00 0.00 41.96 42.34 1x5i s TYR 83 CO 0.15 -0.10 0.75 0.99 -1.34 0.00 0.00 175.55 175.99 1x5i s THR 84 N 0.72 5.00 -0.80 4.34 2.01 -1.26 -0.04 115.64 125.61 1x5i s THR 84 Ca -0.06 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.28 1x5i s THR 84 Cb -0.08 -4.51 0.03 0.00 0.01 0.00 0.00 72.50 67.96 1x5i s THR 84 CO -0.03 -1.13 1.35 -0.63 -0.69 0.00 0.00 174.62 173.50 1x5i s ILE 85 N 2.09 3.74 0.44 1.82 1.01 -0.77 -4.87 121.20 124.67 1x5i s ILE 85 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1x5i s ILE 85 Cb -0.20 -4.89 0.02 0.00 0.01 0.00 0.00 42.46 37.39 1x5i s ILE 85 CO 0.01 -1.82 0.60 -1.61 0.00 0.00 0.00 174.94 172.11 1x5i s GLU 86 N 5.65 2.78 -0.47 2.79 2.02 -1.26 -1.28 118.70 128.92 1x5i s GLU 86 Ca 0.39 -1.25 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 1x5i s GLU 86 Cb -0.06 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1x5i s GLU 86 CO 0.09 -0.34 0.40 0.09 0.02 0.00 0.00 175.26 175.53 1x5i n ASN 87 N -1.90 -2.86 -4.68 -0.19 3.02 -0.93 -4.96 115.26 102.75 1x5i n ASN 87 Ca 0.09 -0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.19 1x5i n ASN 87 Cb 0.59 -2.18 -0.07 0.00 -0.61 0.00 0.00 39.78 37.51 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -3.45 3.21 -0.31 3.41 1.43 -1.11 -5.06 118.68 116.79 1x5i s LEU 88 Ca 0.11 -0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1x5i s LEU 88 Cb -0.05 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1x5i s LEU 88 CO 0.27 -0.15 0.85 -1.81 0.23 0.00 0.00 176.35 175.73 1x5i s ASP 89 N -3.75 6.71 0.69 2.29 1.01 -1.26 -4.64 116.67 117.71 1x5i s ASP 89 Ca 0.34 0.71 -0.14 0.00 0.71 0.00 0.00 52.55 54.18 1x5i s ASP 89 Cb -0.04 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1x5i s ASP 89 CO 0.21 -0.68 1.11 -2.16 0.21 0.00 0.00 175.17 173.86 1x5i s PRO 90 N 3.11 2.66 -0.74 8.23 0.04 -1.24 -4.15 135.00 142.90 1x5i s PRO 90 Ca 0.35 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1x5i s PRO 90 Cb -0.14 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1x5i s PRO 90 CO 0.13 -1.35 0.63 0.45 0.04 0.00 0.00 177.00 176.90 1x5i n SER 91 N -2.71 -3.47 -3.58 6.66 2.88 -1.03 -4.82 113.62 107.56 1x5i n SER 91 Ca 0.10 -0.43 -0.12 0.00 -1.33 0.00 0.00 58.87 57.08 1x5i n SER 91 Cb 0.52 -3.57 -0.06 0.00 -0.75 0.00 0.00 64.21 60.36 1x5i n SER 91 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5i s SER 92 N -3.59 -0.47 0.19 -3.46 1.04 -1.25 -4.99 113.70 101.16 1x5i s SER 92 Ca 0.14 0.61 -0.26 0.00 0.48 0.00 0.00 55.95 56.93 1x5i s SER 92 Cb -0.02 0.52 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1x5i s SER 92 CO 0.48 -0.37 0.81 -2.28 0.98 0.00 0.00 173.24 172.86 1x5i s HIS 93 N -0.82 3.89 -0.04 5.02 5.65 -1.26 -1.75 115.29 125.98 1x5i s HIS 93 Ca -0.03 1.68 0.02 0.00 0.25 0.00 0.00 55.06 56.98 1x5i s HIS 93 Cb -0.01 -2.80 0.01 0.00 -1.18 0.00 0.00 32.58 28.59 1x5i s HIS 93 CO 0.02 0.48 -0.10 0.71 -0.65 0.00 0.00 174.74 175.20 1x5i s TYR 94 N -1.21 1.09 -0.42 3.88 1.51 0.09 -4.62 117.35 117.67 1x5i s TYR 94 Ca 0.38 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 1x5i s TYR 94 Cb -0.23 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1x5i s TYR 94 CO 0.27 -0.15 0.37 0.08 -1.11 0.00 0.00 175.55 175.01 1x5i s VAL 95 N 0.34 5.17 -0.06 0.71 1.01 -1.19 -2.21 120.40 124.18 1x5i s VAL 95 Ca -0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1x5i s VAL 95 Cb -0.11 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1x5i s VAL 95 CO 0.01 -0.39 0.30 -0.63 0.00 0.00 0.00 175.10 174.39 1x5i s ILE 96 N 1.90 5.23 -0.02 2.22 1.09 -1.24 -3.68 121.20 126.70 1x5i s ILE 96 Ca 0.08 0.58 0.01 0.00 -1.10 0.00 0.00 60.65 60.22 1x5i s ILE 96 Cb -0.18 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1x5i s ILE 96 CO 0.11 0.57 -0.04 0.42 -0.10 0.00 0.00 174.94 175.91 1x5i s THR 97 N -0.89 0.39 0.00 2.92 -4.23 0.42 -2.13 115.64 112.12 1x5i s THR 97 Ca 0.20 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1x5i s THR 97 Cb -0.15 -0.40 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 1x5i s THR 97 CO 0.09 0.16 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.91 1x5i s LEU 98 N 0.50 2.08 -0.14 4.79 2.96 -1.26 -0.00 118.68 127.61 1x5i s LEU 98 Ca -0.06 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 1x5i s LEU 98 Cb -0.09 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.63 1x5i s LEU 98 CO -0.00 0.22 0.39 -1.59 -1.32 0.00 0.00 176.35 174.05 1x5i s LYS 99 N -0.69 0.46 -0.06 1.98 -2.85 -1.07 -1.24 119.74 116.27 1x5i s LYS 99 Ca 0.08 0.53 -0.20 0.00 -1.00 0.00 0.00 55.97 55.37 1x5i s LYS 99 Cb -0.08 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1x5i s LYS 99 CO 0.00 -0.06 0.58 0.00 0.10 0.00 0.00 175.35 175.98 1x5i s ALA 100 N 0.18 3.44 0.01 0.59 0.00 -1.26 -1.53 121.76 123.19 1x5i s ALA 100 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1x5i s ALA 100 Cb -0.03 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1x5i s ALA 100 CO 0.01 0.04 -0.08 -0.59 0.00 0.00 0.00 175.76 175.13 1x5i s PHE 101 N 0.36 0.74 0.22 0.00 -0.71 -0.79 -2.63 117.98 115.18 1x5i s PHE 101 Ca 0.31 -0.24 0.02 0.00 -1.04 0.00 0.00 56.93 55.98 1x5i s PHE 101 Cb -0.17 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1x5i s PHE 101 CO 0.15 -0.02 0.06 0.27 -1.34 0.00 0.00 175.22 174.34 1x5i n ASN 102 N 2.45 1.40 -0.07 1.98 6.94 0.56 -2.88 115.26 125.64 1x5i n ASN 102 Ca -0.16 -2.14 0.25 0.00 -0.02 0.00 0.00 54.58 52.51 1x5i n ASN 102 Cb 0.56 0.47 0.71 0.00 -2.36 0.00 0.00 39.78 39.16 1x5i n ASN 102 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1x5i h ASN 103 N 0.81 0.00 0.00 0.53 -1.24 -1.91 -0.69 115.58 113.09 1x5i h ASN 103 Ca -0.18 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 1x5i h ASN 103 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1x5i h ASN 103 CO 0.28 0.00 -0.00 0.58 -1.29 0.00 0.00 177.43 177.00 1x5i h VAL 104 N 0.00 1.78 0.00 2.57 2.07 -1.91 -3.51 116.25 117.25 1x5i h VAL 104 Ca 0.33 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1x5i h VAL 104 Cb 1.60 3.36 0.00 0.00 -1.52 0.00 0.00 31.29 34.73 1x5i h VAL 104 CO -0.00 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1x5i n GLY 105 N 1.58 -1.07 3.84 2.17 0.00 -0.27 -5.02 105.19 106.42 1x5i n GLY 105 Ca -0.10 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1x5i n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5i s GLU 106 N -1.54 2.63 0.00 1.61 4.04 -1.26 -0.32 118.70 123.85 1x5i s GLU 106 Ca 0.00 -1.39 0.00 0.00 0.04 0.00 0.00 54.97 53.62 1x5i s GLU 106 Cb 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 34.13 31.75 1x5i s GLU 106 CO 0.00 0.04 0.00 0.41 -1.84 0.00 0.00 175.26 173.87 1x5i n GLY 107 N -1.37 1.12 3.36 -3.83 0.00 -1.08 -4.91 105.19 98.48 1x5i n GLY 107 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5i s ILE 108 N 3.49 3.65 1.04 -0.61 -0.00 -1.26 -4.99 121.20 122.52 1x5i s ILE 108 Ca 0.00 -0.40 -0.14 0.00 -0.00 0.00 0.00 60.65 60.11 1x5i s ILE 108 Cb 0.00 -2.67 0.21 0.00 -0.00 0.00 0.00 42.46 40.00 1x5i s ILE 108 CO 0.00 0.41 1.10 -2.16 -0.00 0.00 0.00 174.94 174.29 1x5i s PRO 109 N 1.40 0.07 0.54 0.37 0.04 -1.26 -4.05 135.00 132.10 1x5i s PRO 109 Ca 0.05 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1x5i s PRO 109 Cb -0.14 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1x5i s PRO 109 CO -0.01 -2.95 0.38 -0.51 0.04 0.00 0.00 177.00 173.95 1x5i s LEU 110 N -6.56 2.71 -0.04 -3.56 1.43 -0.38 -4.92 118.68 107.36 1x5i s LEU 110 Ca 0.66 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1x5i s LEU 110 Cb -0.17 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1x5i s LEU 110 CO 0.57 -1.07 -0.02 -0.31 0.23 0.00 0.00 176.35 175.76 1x5i s TYR 111 N -2.77 0.50 0.32 0.29 1.51 -1.26 -4.14 117.35 111.80 1x5i s TYR 111 Ca 0.33 -0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.37 1x5i s TYR 111 Cb -0.02 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 1x5i s TYR 111 CO 0.20 -0.16 0.26 -1.21 -1.11 0.00 0.00 175.55 173.53 1x5i s GLU 112 N 1.03 1.70 -0.00 -0.62 0.41 -0.90 -5.03 118.70 115.29 1x5i s GLU 112 Ca -0.10 -1.98 -0.01 0.00 -0.41 0.00 0.00 54.97 52.47 1x5i s GLU 112 Cb -0.14 0.29 -0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1x5i s GLU 112 CO -0.01 -0.62 0.01 -1.54 -0.49 0.00 0.00 175.26 172.61 1x5i s SER 113 N -3.36 0.04 -0.26 -0.19 1.04 -1.26 -3.69 113.70 106.01 1x5i s SER 113 Ca 0.40 -0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1x5i s SER 113 Cb 0.03 0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.33 1x5i s SER 113 CO 0.26 -0.07 0.55 0.00 0.98 0.00 0.00 173.24 174.95 1x5i s ALA 114 N -0.33 -1.73 -0.51 5.32 0.00 -0.94 -4.93 121.76 118.65 1x5i s ALA 114 Ca -0.04 1.89 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 1x5i s ALA 114 Cb -0.02 -1.69 0.10 0.00 0.00 0.00 0.00 23.12 21.51 1x5i s ALA 114 CO -0.00 -0.97 0.45 0.08 0.00 0.00 0.00 175.76 175.32 1x5i s VAL 115 N 2.78 5.20 0.12 0.00 1.01 -1.26 -0.73 120.40 127.51 1x5i s VAL 115 Ca 0.01 -1.31 -0.35 0.00 0.00 0.00 0.00 61.98 60.33 1x5i s VAL 115 Cb -0.13 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 1x5i s VAL 115 CO -0.17 -0.74 1.18 0.35 0.00 0.00 0.00 175.10 175.72 1x5i n THR 116 N 5.22 0.51 -1.22 3.92 -2.24 -0.72 -4.79 114.28 114.96 1x5i n THR 116 Ca -0.13 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1x5i n THR 116 Cb 0.42 -0.67 0.10 0.00 -2.10 0.00 0.00 70.33 68.08 1x5i n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x5i n ARG 117 N 1.94 0.33 -2.10 -0.78 3.00 -1.25 -2.48 116.66 115.33 1x5i n ARG 117 Ca 0.17 0.18 -0.43 0.00 -0.01 0.00 0.00 57.85 57.76 1x5i n ARG 117 Cb 0.20 -2.28 -0.03 0.00 0.00 0.00 0.00 32.46 30.36 1x5i n ARG 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1x5i s PRO 118 N -3.64 3.54 -0.04 5.56 0.04 -1.26 -2.87 135.00 136.32 1x5i s PRO 118 Ca 0.72 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1x5i s PRO 118 Cb -0.32 -4.11 -0.06 0.00 0.04 0.00 0.00 34.50 30.05 1x5i s PRO 118 CO 0.52 -1.61 0.51 1.25 0.04 0.00 0.00 177.00 177.71 1x5i h HIS 119 N 11.76 -0.37 -0.56 0.56 2.76 -1.87 -3.31 115.15 124.11 1x5i h HIS 119 Ca -0.33 -0.01 -0.36 0.00 -2.20 0.00 0.00 60.37 57.47 1x5i h HIS 119 Cb 1.15 0.12 -0.17 0.00 1.55 0.00 0.00 27.41 30.07 1x5i h HIS 119 CO 0.94 -0.23 0.47 0.25 -1.30 0.00 0.00 177.93 178.06 1x5i n THR 120 N -4.60 2.76 -0.26 6.26 -2.24 -1.26 -4.69 114.28 110.25 1x5i n THR 120 Ca -0.05 -1.68 0.06 0.00 -2.27 0.00 0.00 64.05 60.12 1x5i n THR 120 Cb 0.16 -1.16 0.14 0.00 -2.10 0.00 0.00 70.33 67.37 1x5i n THR 120 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5i n SER 121 N -0.01 -0.21 -3.61 3.42 2.88 -1.25 -4.71 113.62 110.14 1x5i n SER 121 Ca 0.35 1.25 -0.04 0.00 -1.33 0.00 0.00 58.87 59.10 1x5i n SER 121 Cb 0.73 -0.40 -0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1x5i n SER 121 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5i s GLY 122 N -4.18 -0.09 0.48 0.46 0.00 -1.26 -5.02 107.32 97.70 1x5i s GLY 122 Ca -0.11 -0.09 0.31 0.00 0.00 0.00 0.00 44.72 44.84 1x5i s GLY 122 CO 0.57 0.47 1.93 -0.56 0.00 0.00 0.00 173.10 175.51 1x5i h PRO 123 N 2.00 0.00 -7.03 2.90 0.13 -2.00 -3.44 132.00 124.56 1x5i h PRO 123 Ca -0.25 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 1x5i h PRO 123 Cb 1.23 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.44 1x5i h PRO 123 CO 0.29 0.00 0.49 -1.54 -0.23 0.00 0.00 178.00 177.00 1x5i s SER 124 N -5.28 5.94 -0.02 1.44 1.04 -1.26 -5.04 113.70 110.52 1x5i s SER 124 Ca 0.02 2.33 0.06 0.00 0.48 0.00 0.00 55.95 58.84 1x5i s SER 124 Cb 0.09 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1x5i s SER 124 CO 0.50 -1.08 -0.19 -0.55 0.98 0.00 0.00 173.24 172.90 1x5i s SER 125 N -1.41 2.24 0.00 7.02 0.15 -1.26 -5.05 113.70 115.39 1x5i s SER 125 Ca 0.67 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 57.04 1x5i s SER 125 Cb -0.29 -0.28 0.06 0.00 -1.71 0.00 0.00 66.02 63.80 1x5i s SER 125 CO 0.34 0.23 0.73 0.61 1.20 0.00 0.00 173.24 176.35