#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 -4.78 -3.94 1.61 7.64 -1.26 -5.00 113.62 107.89 1x5i n SER 2 Ca 0.00 -0.50 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 1x5i n SER 2 Cb 0.00 -4.54 0.23 0.00 -1.01 0.00 0.00 64.21 58.88 1x5i n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5i s SER 3 N -3.55 1.34 0.00 6.43 0.15 -1.26 -5.08 113.70 111.73 1x5i s SER 3 Ca 0.37 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1x5i s SER 3 Cb -0.16 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1x5i s SER 3 CO 0.65 -3.87 0.00 0.61 1.20 0.00 0.00 173.24 171.83 1x5i n GLY 4 N -1.30 4.60 3.17 9.45 0.00 -1.26 -5.19 105.19 114.67 1x5i n GLY 4 Ca 0.13 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1x5i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5i s SER 5 N 1.30 0.14 0.11 1.61 0.15 -1.26 -5.17 113.70 110.58 1x5i s SER 5 Ca 0.00 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.14 1x5i s SER 5 Cb 0.00 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1x5i s SER 5 CO 0.00 -0.62 -0.18 -0.94 1.20 0.00 0.00 173.24 172.69 1x5i s SER 6 N -2.50 2.32 0.35 5.45 1.04 -1.26 -5.14 113.70 113.96 1x5i s SER 6 Ca 0.00 -0.71 -0.21 0.00 0.48 0.00 0.00 55.95 55.51 1x5i s SER 6 Cb 0.02 -0.11 -0.10 0.00 0.10 0.00 0.00 66.02 65.93 1x5i s SER 6 CO -0.08 -0.00 0.88 -0.83 0.98 0.00 0.00 173.24 174.19 1x5i s GLY 7 N -2.04 2.53 0.11 7.32 0.00 -1.26 -5.02 107.32 108.97 1x5i s GLY 7 Ca 0.06 0.35 -0.31 0.00 0.00 0.00 0.00 44.72 44.82 1x5i s GLY 7 CO 0.04 0.67 1.36 2.56 0.00 0.00 0.00 173.10 177.74 1x5i s PRO 8 N -2.65 4.33 0.44 2.90 0.04 -1.26 -4.99 135.00 133.82 1x5i s PRO 8 Ca 0.55 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 1x5i s PRO 8 Cb -0.13 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1x5i s PRO 8 CO 0.18 -0.42 1.22 0.00 0.04 0.00 0.00 177.00 178.03 1x5i s ALA 9 N 1.12 3.06 0.64 8.56 0.00 -1.26 -4.98 121.76 128.90 1x5i s ALA 9 Ca 0.64 1.06 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 1x5i s ALA 9 Cb -0.36 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 1x5i s ALA 9 CO 0.30 -0.76 1.19 -0.08 0.00 0.00 0.00 175.76 176.41 1x5i s THR 10 N -1.42 2.62 -0.47 0.00 -1.32 -1.26 -5.01 115.64 108.79 1x5i s THR 10 Ca 0.61 0.35 0.04 0.00 -1.21 0.00 0.00 61.69 61.48 1x5i s THR 10 Cb -0.33 -3.02 0.12 0.00 -1.51 0.00 0.00 72.50 67.77 1x5i s THR 10 CO 0.41 -0.12 0.21 -1.81 -2.21 0.00 0.00 174.62 171.10 1x5i s ASP 11 N -1.88 4.32 0.12 8.08 1.01 -1.26 -5.09 116.67 121.97 1x5i s ASP 11 Ca 0.75 -2.78 -0.23 0.00 0.71 0.00 0.00 52.55 51.00 1x5i s ASP 11 Cb -0.28 -1.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.96 1x5i s ASP 11 CO 0.38 -0.27 0.48 0.79 0.21 0.00 0.00 175.17 176.76 1x5i n TRP 12 N 3.41 -0.19 0.00 4.23 8.01 -1.26 -4.88 117.44 126.76 1x5i n TRP 12 Ca 0.05 0.74 -0.20 0.00 -1.31 0.00 0.00 57.50 56.78 1x5i n TRP 12 Cb 0.34 -1.49 -0.14 0.00 -2.01 0.00 0.00 31.31 28.02 1x5i n TRP 12 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1x5i h LEU 13 N 1.06 0.32 -6.99 -0.99 3.38 -2.03 -3.45 115.31 106.62 1x5i h LEU 13 Ca -0.25 -0.88 -0.44 0.00 0.09 0.00 0.00 57.88 56.41 1x5i h LEU 13 Cb 1.07 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 41.32 1x5i h LEU 13 CO 0.44 1.42 -0.73 -0.94 0.09 0.00 0.00 178.44 178.73 1x5i s SER 14 N -6.87 2.20 0.00 -0.43 1.04 -1.26 -4.98 113.70 103.40 1x5i s SER 14 Ca -0.18 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1x5i s SER 14 Cb 0.02 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1x5i s SER 14 CO 0.76 -0.35 0.00 0.00 0.98 0.00 0.00 173.24 174.63 1x5i n ALA 15 N 5.29 2.49 -3.40 5.32 0.00 -1.26 -5.12 120.51 123.82 1x5i n ALA 15 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1x5i n ALA 15 Cb 0.49 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1x5i n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x5i s GLU 16 N -1.63 0.71 -0.98 0.00 2.12 -1.26 -5.10 118.70 112.56 1x5i s GLU 16 Ca 0.00 0.45 -0.08 0.00 0.36 0.00 0.00 54.97 55.70 1x5i s GLU 16 Cb 0.00 0.34 0.25 0.00 0.26 0.00 0.00 34.13 34.97 1x5i s GLU 16 CO 0.00 -0.14 0.93 0.99 -0.54 0.00 0.00 175.26 176.50 1x5i s THR 17 N -0.33 5.44 -0.29 -1.70 2.01 -1.26 -4.96 115.64 114.55 1x5i s THR 17 Ca -0.05 -3.31 -0.14 0.00 0.31 0.00 0.00 61.69 58.50 1x5i s THR 17 Cb -0.03 -4.31 0.14 0.00 0.01 0.00 0.00 72.50 68.30 1x5i s THR 17 CO 0.03 -1.12 0.83 0.12 -0.69 0.00 0.00 174.62 173.80 1x5i s PHE 18 N -0.94 -0.92 0.33 4.92 2.19 -1.26 -5.15 117.98 117.16 1x5i s PHE 18 Ca 0.27 1.68 -0.14 0.00 0.33 0.00 0.00 56.93 59.06 1x5i s PHE 18 Cb -0.10 0.55 -0.11 0.00 -1.31 0.00 0.00 43.02 42.05 1x5i s PHE 18 CO -0.09 -0.45 -0.01 -1.91 1.83 0.00 0.00 175.22 174.59 1x5i n GLU 19 N 4.71 0.00 -0.70 10.12 4.07 -1.26 -4.70 120.64 132.88 1x5i n GLU 19 Ca -0.14 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 56.90 1x5i n GLU 19 Cb 0.54 -0.73 -0.02 0.00 -0.06 0.00 0.00 31.44 31.17 1x5i n GLU 19 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1x5i n SER 20 N 1.76 5.59 -1.88 4.31 3.41 -1.26 -4.17 113.62 121.38 1x5i n SER 20 Ca 0.07 -2.58 -0.21 0.00 -0.26 0.00 0.00 58.87 55.89 1x5i n SER 20 Cb 0.32 -1.17 0.05 0.00 -0.26 0.00 0.00 64.21 63.15 1x5i n SER 20 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x5i n ASP 21 N 1.42 4.73 -4.73 4.04 2.03 -1.26 -5.04 116.55 117.74 1x5i n ASP 21 Ca 0.15 -3.77 -0.23 0.00 0.52 0.00 0.00 54.79 51.46 1x5i n ASP 21 Cb 0.58 -0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x5i s LEU 22 N -3.57 3.28 -0.19 -2.67 1.43 -1.26 -5.11 118.68 110.59 1x5i s LEU 22 Ca 0.50 -0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 1x5i s LEU 22 Cb 0.41 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1x5i s LEU 22 CO 0.02 -0.28 0.59 -1.81 0.23 0.00 0.00 176.35 175.11 1x5i s ASP 23 N -3.84 6.66 -0.16 2.29 1.11 0.13 -4.94 116.67 117.92 1x5i s ASP 23 Ca 0.37 0.80 0.16 0.00 0.18 0.00 0.00 52.55 54.06 1x5i s ASP 23 Cb -0.03 -2.33 0.44 0.00 1.07 0.00 0.00 42.92 42.07 1x5i s ASP 23 CO 0.23 -0.23 1.19 1.21 1.18 0.00 0.00 175.17 178.75 1x5i n GLU 24 N 4.88 1.42 -0.01 8.23 2.13 -1.26 -1.51 120.64 134.52 1x5i n GLU 24 Ca -0.03 -3.06 0.07 0.00 0.66 0.00 0.00 57.16 54.81 1x5i n GLU 24 Cb 0.50 -1.22 -0.11 0.00 0.27 0.00 0.00 31.44 30.88 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 -0.51 0.00 -4.32 6.31 -2.24 -1.26 -4.59 114.28 107.66 1x5i n THR 25 Ca 0.17 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 1x5i n THR 25 Cb 0.88 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.99 1.23 0.42 -0.78 1.70 -1.26 -4.97 118.95 112.30 1x5i s ARG 26 Ca -0.05 -1.25 -0.22 0.00 -0.47 0.00 0.00 55.73 53.74 1x5i s ARG 26 Cb 0.09 -1.55 -0.10 0.00 -0.57 0.00 0.00 34.95 32.83 1x5i s ARG 26 CO 0.60 0.36 0.99 0.14 -1.08 0.00 0.00 175.30 176.30 1x5i s VAL 27 N -1.23 4.10 -0.54 4.99 -7.23 -1.26 -4.75 120.40 114.48 1x5i s VAL 27 Ca 0.10 1.43 -0.27 0.00 -1.81 0.00 0.00 61.98 61.42 1x5i s VAL 27 Cb -0.10 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1x5i s VAL 27 CO 0.05 -0.17 1.82 -2.16 -0.31 0.00 0.00 175.10 174.34 1x5i s PRO 28 N -2.88 2.84 0.97 4.82 0.04 -1.26 -4.92 135.00 134.61 1x5i s PRO 28 Ca 0.61 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1x5i s PRO 28 Cb -0.15 -4.32 0.17 0.00 0.04 0.00 0.00 34.50 30.24 1x5i s PRO 28 CO 0.19 -2.47 0.35 0.39 0.04 0.00 0.00 177.00 175.50 1x5i n GLU 29 N 8.95 -2.22 -1.55 4.56 1.02 -1.26 -4.02 120.64 126.11 1x5i n GLU 29 Ca 0.21 -0.66 -0.46 0.00 -0.02 0.00 0.00 57.16 56.23 1x5i n GLU 29 Cb 0.51 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 -4.33 1.77 -1.18 2.62 3.14 -1.26 -4.62 118.33 114.47 1x5i n VAL 30 Ca 0.06 -0.44 -0.29 0.00 -2.96 0.00 0.00 64.34 60.71 1x5i n VAL 30 Cb 0.31 -0.78 0.16 0.00 -1.06 0.00 0.00 33.84 32.47 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 -1.22 0.76 0.20 1.45 0.04 -1.26 -4.85 135.00 130.12 1x5i s PRO 31 Ca 0.63 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 1x5i s PRO 31 Cb -0.78 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.19 1x5i s PRO 31 CO 0.58 -2.54 1.64 1.03 0.04 0.00 0.00 177.00 177.75 1x5i h SER 32 N -1.76 -0.54 -1.69 6.66 0.87 -1.67 -3.47 113.55 111.95 1x5i h SER 32 Ca -0.52 0.17 0.20 0.00 -1.23 0.00 0.00 61.79 60.41 1x5i h SER 32 Cb 1.31 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 63.59 1x5i h SER 32 CO 0.56 -0.19 0.56 -0.24 -0.53 0.00 0.00 176.83 177.00 1x5i n SER 33 N -5.39 -0.97 -3.29 6.23 2.88 -1.26 -5.04 113.62 106.77 1x5i n SER 33 Ca 0.06 -1.33 -0.05 0.00 -1.33 0.00 0.00 58.87 56.21 1x5i n SER 33 Cb 0.30 1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 65.24 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x5i s LEU 34 N 0.00 -0.87 -0.06 2.46 2.96 -1.26 -2.72 118.68 119.19 1x5i s LEU 34 Ca 0.20 0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 54.47 1x5i s LEU 34 Cb -0.01 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.08 1x5i s LEU 34 CO 0.01 -0.29 0.22 -2.28 -1.32 0.00 0.00 176.35 172.70 1x5i s HIS 35 N 2.64 3.61 -0.02 5.38 5.65 0.38 -4.94 115.29 128.00 1x5i s HIS 35 Ca 0.15 0.61 0.05 0.00 0.25 0.00 0.00 55.06 56.11 1x5i s HIS 35 Cb -0.15 -2.00 -0.01 0.00 -1.18 0.00 0.00 32.58 29.23 1x5i s HIS 35 CO -0.17 0.68 -0.15 0.14 -0.65 0.00 0.00 174.74 174.59 1x5i s VAL 36 N -1.14 1.21 -0.26 0.89 -7.23 -1.26 0.01 120.40 112.62 1x5i s VAL 36 Ca 0.21 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 1x5i s VAL 36 Cb -0.13 -1.02 0.07 0.00 0.56 0.00 0.00 36.38 35.86 1x5i s VAL 36 CO 0.10 0.35 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.59 1x5i s ARG 37 N -0.29 1.70 0.06 4.82 6.06 -0.52 -4.96 118.95 125.81 1x5i s ARG 37 Ca 0.04 -1.23 -0.31 0.00 -2.50 0.00 0.00 55.73 51.74 1x5i s ARG 37 Cb -0.07 -2.72 -0.07 0.00 0.06 0.00 0.00 34.95 32.15 1x5i s ARG 37 CO -0.00 -0.67 1.40 -1.25 -2.50 0.00 0.00 175.30 172.27 1x5i s PRO 38 N 1.25 4.31 0.18 5.12 0.04 -1.26 -1.07 135.00 143.57 1x5i s PRO 38 Ca -0.03 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.19 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 1x5i s PRO 38 CO -0.07 -0.50 -0.22 -0.51 0.04 0.00 0.00 177.00 175.74 1x5i s LEU 39 N 1.71 2.43 0.00 -3.56 1.02 0.11 -4.64 118.68 115.76 1x5i s LEU 39 Ca 0.64 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.94 1x5i s LEU 39 Cb -0.34 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1x5i s LEU 39 CO 0.29 0.07 0.52 0.52 0.02 0.00 0.00 176.35 177.77 1x5i n VAL 40 N 0.30 0.00 -1.25 -1.59 0.31 -1.26 -2.17 118.33 112.66 1x5i n VAL 40 Ca -0.13 0.80 0.08 0.00 -0.01 0.00 0.00 64.34 65.08 1x5i n VAL 40 Cb 0.56 -1.08 0.17 0.00 -0.91 0.00 0.00 33.84 32.58 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 -2.32 2.05 -4.00 2.52 -2.24 -1.26 -3.82 114.28 105.20 1x5i n THR 41 Ca 0.00 -2.59 -0.12 0.00 -2.27 0.00 0.00 64.05 59.07 1x5i n THR 41 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1x5i n THR 41 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5i n SER 42 N -1.27 -1.04 -3.15 3.42 2.88 -0.92 -2.92 113.62 110.62 1x5i n SER 42 Ca 0.18 -2.58 0.04 0.00 -1.33 0.00 0.00 58.87 55.18 1x5i n SER 42 Cb 0.69 1.98 -0.01 0.00 -0.75 0.00 0.00 64.21 66.13 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1x5i s ILE 43 N -2.79 -0.96 -0.77 2.46 1.01 -0.91 0.10 121.20 119.33 1x5i s ILE 43 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 1x5i s ILE 43 Cb -0.00 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1x5i s ILE 43 CO 0.18 0.00 1.45 -0.69 0.00 0.00 0.00 174.94 175.87 1x5i s VAL 44 N 2.85 3.67 -0.67 2.92 1.01 -0.23 -1.79 120.40 128.16 1x5i s VAL 44 Ca 0.16 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 1x5i s VAL 44 Cb -0.13 -4.72 0.06 0.00 0.00 0.00 0.00 36.38 31.60 1x5i s VAL 44 CO -0.23 -1.65 1.02 -0.69 0.00 0.00 0.00 175.10 173.55 1x5i s VAL 45 N 6.45 4.22 -0.22 2.92 1.01 0.96 -1.44 120.40 134.29 1x5i s VAL 45 Ca 0.44 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1x5i s VAL 45 Cb -0.08 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1x5i s VAL 45 CO 0.11 -1.52 0.06 -0.94 0.00 0.00 0.00 175.10 172.81 1x5i s SER 46 N 3.68 5.31 0.30 3.32 1.04 0.10 -0.73 113.70 126.73 1x5i s SER 46 Ca 0.24 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1x5i s SER 46 Cb -0.15 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.03 1x5i s SER 46 CO 0.11 0.06 0.05 -2.67 0.98 0.00 0.00 173.24 171.77 1x5i n TRP 47 N 4.30 0.43 -4.07 5.02 2.14 -0.46 0.14 117.44 124.94 1x5i n TRP 47 Ca -0.16 -1.71 -0.10 0.00 2.07 0.00 0.00 57.50 57.60 1x5i n TRP 47 Cb 0.52 -0.11 -0.11 0.00 -0.81 0.00 0.00 31.31 30.80 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 -2.40 0.41 0.82 -1.67 -4.23 -1.10 -4.77 115.64 102.69 1x5i s THR 48 Ca 0.07 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.12 1x5i s THR 48 Cb 0.00 -0.91 0.08 0.00 1.34 0.00 0.00 72.50 73.01 1x5i s THR 48 CO 0.05 -0.63 1.09 -2.16 -0.54 0.00 0.00 174.62 172.43 1x5i s PRO 49 N -2.45 1.91 -0.04 3.99 0.04 -1.26 -3.95 135.00 133.25 1x5i s PRO 49 Ca -0.04 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1x5i s PRO 49 Cb -0.04 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1x5i s PRO 49 CO -0.03 -1.85 1.48 -1.25 0.04 0.00 0.00 177.00 175.39 1x5i s PRO 50 N -4.92 4.24 0.34 0.56 0.04 -1.26 -3.14 135.00 130.87 1x5i s PRO 50 Ca 0.62 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.84 1x5i s PRO 50 Cb -0.17 -3.73 1.18 0.00 0.04 0.00 0.00 34.50 31.82 1x5i s PRO 50 CO 0.56 -0.69 1.52 0.39 0.04 0.00 0.00 177.00 178.82 1x5i n GLU 51 N 6.11 -0.06 -2.15 4.56 4.71 -1.26 -3.97 120.64 128.58 1x5i n GLU 51 Ca 0.15 1.35 -0.42 0.00 -0.01 0.00 0.00 57.16 58.23 1x5i n GLU 51 Cb 0.43 -2.37 -0.03 0.00 -1.01 0.00 0.00 31.44 28.47 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1x5i s ASN 52 N -4.64 5.96 -0.37 1.62 2.47 -1.26 -4.86 114.94 113.86 1x5i s ASN 52 Ca -0.09 0.93 0.01 0.00 0.42 0.00 0.00 52.86 54.12 1x5i s ASN 52 Cb 0.32 -2.53 0.37 0.00 -1.45 0.00 0.00 41.25 37.96 1x5i s ASN 52 CO 0.75 -1.72 1.82 0.00 -3.72 0.00 0.00 177.10 174.23 1x5i n GLN 53 N 8.45 1.98 -0.02 0.43 1.13 -1.25 -3.95 117.38 124.14 1x5i n GLN 53 Ca 0.20 -2.09 -0.01 0.00 -1.94 0.00 0.00 57.00 53.15 1x5i n GLN 53 Cb 0.48 -1.82 -0.05 0.00 0.11 0.00 0.00 30.24 28.96 1x5i n GLN 53 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x5i n ASN 54 N -0.35 3.40 -4.70 1.08 5.03 -1.26 -4.98 115.26 113.48 1x5i n ASN 54 Ca 0.41 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.45 1x5i n ASN 54 Cb 0.94 0.86 -0.04 0.00 -1.02 0.00 0.00 39.78 40.52 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x5i s ILE 55 N -2.26 4.95 -0.12 2.41 1.01 -1.25 -0.69 121.20 125.24 1x5i s ILE 55 Ca -0.03 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 1x5i s ILE 55 Cb 0.03 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1x5i s ILE 55 CO 0.27 0.14 1.60 -0.69 0.00 0.00 0.00 174.94 176.26 1x5i s VAL 56 N 1.39 3.70 -0.20 2.92 1.01 -0.57 -4.94 120.40 123.71 1x5i s VAL 56 Ca 0.40 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 1x5i s VAL 56 Cb -0.18 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1x5i s VAL 56 CO 0.18 -0.14 0.02 -0.69 0.00 0.00 0.00 175.10 174.47 1x5i s VAL 57 N 4.36 4.20 -0.17 2.92 1.01 -1.26 -4.60 120.40 126.86 1x5i s VAL 57 Ca 0.71 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 62.58 1x5i s VAL 57 Cb -0.29 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.95 1x5i s VAL 57 CO 0.27 0.43 0.18 0.54 0.00 0.00 0.00 175.10 176.52 1x5i n ARG 58 N 4.12 0.68 -3.20 2.72 5.12 -1.15 -4.90 116.66 120.04 1x5i n ARG 58 Ca -0.17 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1x5i n ARG 58 Cb 0.52 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 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 1.81 -1.41 3.29 -0.13 0.00 -1.19 -3.25 105.19 104.31 1x5i n GLY 59 Ca -0.31 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.26 1.41 -0.12 1.61 1.51 -1.23 -2.27 117.35 116.00 1x5i s TYR 60 Ca 0.00 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.09 1x5i s TYR 60 Cb 0.00 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1x5i s TYR 60 CO 0.00 -0.14 -0.18 0.00 -1.11 0.00 0.00 175.55 174.12 1x5i s ALA 61 N -3.55 1.89 -0.34 3.71 0.00 -1.10 -3.12 121.76 119.26 1x5i s ALA 61 Ca 0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1x5i s ALA 61 Cb 0.06 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.35 1x5i s ALA 61 CO 0.07 -0.04 0.09 0.42 0.00 0.00 0.00 175.76 176.30 1x5i s ILE 62 N 0.90 3.51 -0.07 0.00 1.01 -0.61 -2.89 121.20 123.06 1x5i s ILE 62 Ca -0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.20 1x5i s ILE 62 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1x5i s ILE 62 CO -0.01 -0.23 0.15 -0.83 0.00 0.00 0.00 174.94 174.01 1x5i s GLY 63 N 1.46 2.15 0.04 6.18 0.00 -0.47 -0.37 107.32 116.31 1x5i s GLY 63 Ca -0.01 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1x5i s GLY 63 CO 0.01 -0.52 0.13 -2.52 0.00 0.00 0.00 173.10 170.20 1x5i s TYR 64 N -1.15 0.16 0.00 1.90 1.13 -0.13 -1.39 117.35 117.86 1x5i s TYR 64 Ca 0.20 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 1x5i s TYR 64 Cb -0.12 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1x5i s TYR 64 CO 0.11 -0.40 0.00 0.41 -2.51 0.00 0.00 175.55 173.15 1x5i n GLY 65 N 0.64 2.16 3.56 5.49 0.00 -1.21 -1.35 105.19 114.49 1x5i n GLY 65 Ca -0.18 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 3.87 0.00 -0.61 -1.09 -1.26 -3.14 121.20 116.98 1x5i s ILE 66 Ca 0.00 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1x5i s ILE 66 Cb 0.00 -4.92 0.00 0.00 -1.58 0.00 0.00 42.46 35.96 1x5i s ILE 66 CO 0.00 -1.79 0.00 0.61 -1.23 0.00 0.00 174.94 172.53 1x5i n GLY 67 N 6.65 1.96 3.39 6.18 0.00 -1.26 -5.05 105.19 117.06 1x5i n GLY 67 Ca 0.36 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 -0.50 0.00 1.61 0.01 -1.23 -5.00 113.70 108.23 1x5i s SER 68 Ca 0.00 0.89 0.15 0.00 1.31 0.00 0.00 55.95 58.30 1x5i s SER 68 Cb 0.00 0.91 0.90 0.00 0.21 0.00 0.00 66.02 68.04 1x5i s SER 68 CO 0.00 -0.24 1.31 -0.81 0.41 0.00 0.00 173.24 173.92 1x5i n PRO 69 N 2.49 0.49 0.08 12.44 -0.04 -1.26 -2.70 135.00 146.50 1x5i n PRO 69 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1x5i n PRO 69 Cb 0.56 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.39 -0.66 0.54 3.86 -1.92 -3.20 115.15 114.16 1x5i h HIS 70 Ca 0.00 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.05 1x5i h HIS 70 Cb 0.00 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 1x5i h HIS 70 CO 0.00 1.06 -0.39 0.00 0.86 0.00 0.00 177.93 179.46 1x5i n ALA 71 N -2.49 -0.42 -2.54 2.45 0.00 -1.10 -4.62 120.51 111.80 1x5i n ALA 71 Ca -0.05 0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 1x5i n ALA 71 Cb 0.84 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 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 -5.04 0.53 -0.02 0.00 -0.21 -0.45 -5.03 119.66 109.44 1x5i s GLN 72 Ca -0.08 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 1x5i s GLN 72 Cb 0.07 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.29 1x5i s GLN 72 CO 0.41 -0.11 0.04 0.99 -2.12 0.00 0.00 175.29 174.50 1x5i s THR 73 N -2.86 -0.03 -0.23 -0.19 2.01 -1.26 -0.96 115.64 112.12 1x5i s THR 73 Ca -0.03 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1x5i s THR 73 Cb 0.00 -0.08 0.05 0.00 0.01 0.00 0.00 72.50 72.48 1x5i s THR 73 CO -0.06 0.05 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.18 1x5i s ILE 74 N 0.60 1.88 -0.16 1.82 1.01 0.51 -4.97 121.20 121.88 1x5i s ILE 74 Ca -0.05 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.24 1x5i s ILE 74 Cb -0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1x5i s ILE 74 CO -0.02 0.10 0.13 -0.54 0.00 0.00 0.00 174.94 174.61 1x5i s LYS 75 N 1.27 3.82 0.37 2.79 1.02 -1.26 -1.57 119.74 126.18 1x5i s LYS 75 Ca -0.04 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.80 1x5i s LYS 75 Cb -0.18 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1x5i s LYS 75 CO -0.07 0.52 0.15 0.14 -0.92 0.00 0.00 175.35 175.16 1x5i s VAL 76 N -0.28 0.52 1.27 3.17 -7.23 -1.18 -5.04 120.40 111.63 1x5i s VAL 76 Ca 0.11 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 1x5i s VAL 76 Cb -0.12 -2.43 0.32 0.00 0.56 0.00 0.00 36.38 34.71 1x5i s VAL 76 CO 0.01 0.00 0.99 0.47 -0.31 0.00 0.00 175.10 176.26 1x5i n ASP 77 N -1.20 -2.73 0.09 4.85 9.92 -1.26 -3.54 116.55 122.68 1x5i n ASP 77 Ca -0.03 -1.06 0.12 0.00 -0.53 0.00 0.00 54.79 53.30 1x5i n ASP 77 Cb 0.65 -0.97 0.19 0.00 -0.64 0.00 0.00 41.12 40.35 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1x5i h TYR 78 N -2.99 0.00 -0.36 1.24 -0.00 -1.90 -3.33 116.97 109.63 1x5i h TYR 78 Ca -0.39 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.12 1x5i h TYR 78 Cb 1.24 0.00 -0.11 0.00 -0.00 0.00 0.00 36.73 37.86 1x5i h TYR 78 CO 0.00 0.00 0.27 1.63 -0.00 0.00 0.00 178.16 180.06 1x5i n LYS 79 N -2.28 1.52 -4.07 0.10 5.02 -1.26 -4.79 118.16 112.40 1x5i n LYS 79 Ca 0.03 -1.12 -0.32 0.00 -2.02 0.00 0.00 58.31 54.88 1x5i n LYS 79 Cb 0.46 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.87 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x5i s GLN 80 N -1.27 2.49 -0.04 1.97 -1.52 -1.25 -4.99 119.66 115.05 1x5i s GLN 80 Ca 0.22 -0.97 -0.10 0.00 -1.95 0.00 0.00 55.36 52.55 1x5i s GLN 80 Cb 0.18 -2.60 -0.31 0.00 -0.22 0.00 0.00 33.01 30.06 1x5i s GLN 80 CO 0.02 -0.37 0.70 -0.09 -0.25 0.00 0.00 175.29 175.30 1x5i h ARG 81 N 7.90 0.38 -3.99 2.91 1.12 -1.89 -3.48 114.38 117.34 1x5i h ARG 81 Ca -0.33 -0.66 -0.11 0.00 -1.11 0.00 0.00 59.98 57.77 1x5i h ARG 81 Cb 1.10 0.24 -0.14 0.00 -0.01 0.00 0.00 29.97 31.17 1x5i h ARG 81 CO 0.54 1.30 -0.45 1.52 -3.11 0.00 0.00 179.97 179.77 1x5i s TYR 82 N -2.58 0.39 -0.03 2.20 -0.85 -1.26 -1.36 117.35 113.85 1x5i s TYR 82 Ca -0.15 -0.81 -0.02 0.00 -0.52 0.00 0.00 57.07 55.58 1x5i s TYR 82 Cb 0.06 -0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.25 1x5i s TYR 82 CO 0.86 -0.57 0.08 -0.47 -1.52 0.00 0.00 175.55 173.93 1x5i s TYR 83 N -3.93 -0.06 -0.40 -3.49 6.14 0.09 -4.96 117.35 110.75 1x5i s TYR 83 Ca 0.12 0.25 -0.17 0.00 0.64 0.00 0.00 57.07 57.91 1x5i s TYR 83 Cb 0.05 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.35 1x5i s TYR 83 CO -0.06 -0.09 0.42 0.99 0.64 0.00 0.00 175.55 177.45 1x5i s THR 84 N 0.70 5.11 -0.68 4.34 2.01 -1.26 -0.03 115.64 125.83 1x5i s THR 84 Ca -0.06 -0.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 1x5i s THR 84 Cb -0.08 -3.98 0.10 0.00 0.01 0.00 0.00 72.50 68.54 1x5i s THR 84 CO -0.03 -0.34 0.89 -0.63 -0.69 0.00 0.00 174.62 173.82 1x5i s ILE 85 N 2.10 4.60 0.66 1.82 1.01 -0.74 -4.88 121.20 125.78 1x5i s ILE 85 Ca 0.12 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1x5i s ILE 85 Cb -0.17 -4.62 0.10 0.00 0.01 0.00 0.00 42.46 37.78 1x5i s ILE 85 CO 0.13 -1.33 0.91 -1.61 0.00 0.00 0.00 174.94 173.04 1x5i s GLU 86 N 3.25 1.96 -0.62 2.79 2.02 -1.26 -2.15 118.70 124.68 1x5i s GLU 86 Ca 0.20 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 1x5i s GLU 86 Cb -0.18 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1x5i s GLU 86 CO 0.05 -1.19 0.53 0.09 0.02 0.00 0.00 175.26 174.76 1x5i n ASN 87 N -2.63 -3.15 -4.72 -0.19 3.02 -1.17 -4.97 115.26 101.46 1x5i n ASN 87 Ca 0.14 -0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 1x5i n ASN 87 Cb 0.61 -2.72 -0.08 0.00 -0.61 0.00 0.00 39.78 36.98 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 -4.08 2.98 -0.26 3.41 1.43 -1.15 -5.08 118.68 115.93 1x5i s LEU 88 Ca 0.15 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 1x5i s LEU 88 Cb -0.07 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1x5i s LEU 88 CO 0.35 -0.57 0.17 -0.62 0.23 0.00 0.00 176.35 175.91 1x5i s ASP 89 N -3.88 6.05 0.71 2.29 2.15 -1.26 -4.76 116.67 117.97 1x5i s ASP 89 Ca 0.37 0.06 -0.13 0.00 0.43 0.00 0.00 52.55 53.27 1x5i s ASP 89 Cb 0.05 -2.11 0.03 0.00 -0.30 0.00 0.00 42.92 40.59 1x5i s ASP 89 CO 0.20 0.02 1.10 -2.16 -0.17 0.00 0.00 175.17 174.16 1x5i s PRO 90 N 1.34 2.55 -0.97 4.34 0.04 -1.25 -3.98 135.00 137.07 1x5i s PRO 90 Ca 0.07 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 1x5i s PRO 90 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1x5i s PRO 90 CO 0.07 -1.43 0.82 0.45 0.04 0.00 0.00 177.00 176.95 1x5i n SER 91 N -2.93 -3.02 -3.68 6.66 2.88 -1.12 -4.84 113.62 107.57 1x5i n SER 91 Ca 0.10 -0.46 -0.14 0.00 -1.33 0.00 0.00 58.87 57.03 1x5i n SER 91 Cb 0.52 -4.08 -0.08 0.00 -0.75 0.00 0.00 64.21 59.82 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5i s SER 92 N -3.82 -0.56 0.14 -3.46 0.01 -1.26 -4.99 113.70 99.76 1x5i s SER 92 Ca 0.13 1.02 -0.30 0.00 1.31 0.00 0.00 55.95 58.11 1x5i s SER 92 Cb -0.06 1.03 -0.07 0.00 0.21 0.00 0.00 66.02 67.14 1x5i s SER 92 CO 0.57 -0.24 0.97 -2.28 0.41 0.00 0.00 173.24 172.67 1x5i s HIS 93 N 0.08 3.82 -0.06 2.43 5.65 -1.26 -2.37 115.29 123.58 1x5i s HIS 93 Ca -0.02 1.80 0.03 0.00 0.25 0.00 0.00 55.06 57.12 1x5i s HIS 93 Cb -0.04 -3.07 0.01 0.00 -1.18 0.00 0.00 32.58 28.31 1x5i s HIS 93 CO 0.02 0.16 -0.13 0.71 -0.65 0.00 0.00 174.74 174.84 1x5i s TYR 94 N -0.24 1.52 -0.25 3.88 1.51 0.13 -4.63 117.35 119.27 1x5i s TYR 94 Ca 0.46 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.84 1x5i s TYR 94 Cb -0.24 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1x5i s TYR 94 CO 0.31 -0.26 0.33 0.08 -1.11 0.00 0.00 175.55 174.89 1x5i s VAL 95 N 0.54 5.22 -0.10 0.71 1.01 -1.19 -1.96 120.40 124.64 1x5i s VAL 95 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1x5i s VAL 95 Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1x5i s VAL 95 CO 0.04 0.22 -0.10 -0.63 0.00 0.00 0.00 175.10 174.63 1x5i s ILE 96 N 1.70 3.40 0.03 2.22 1.09 -1.23 -3.39 121.20 125.02 1x5i s ILE 96 Ca 0.14 -0.57 0.05 0.00 -1.10 0.00 0.00 60.65 59.17 1x5i s ILE 96 Cb -0.15 -2.41 -0.02 0.00 -1.06 0.00 0.00 42.46 38.82 1x5i s ILE 96 CO 0.09 0.56 -0.14 0.42 -0.10 0.00 0.00 174.94 175.77 1x5i s THR 97 N -0.25 1.08 -0.01 2.92 -4.23 -0.49 -1.86 115.64 112.79 1x5i s THR 97 Ca 0.02 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1x5i s THR 97 Cb -0.13 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.75 1x5i s THR 97 CO 0.03 0.02 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.88 1x5i s LEU 98 N -1.05 1.73 -0.02 4.79 2.96 -1.26 -1.37 118.68 124.47 1x5i s LEU 98 Ca 0.02 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1x5i s LEU 98 Cb -0.08 -0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.38 1x5i s LEU 98 CO 0.01 0.01 0.02 -1.59 -1.32 0.00 0.00 176.35 173.48 1x5i s LYS 99 N 0.28 -0.01 -0.17 1.98 -2.85 -1.14 -0.81 119.74 117.03 1x5i s LYS 99 Ca -0.03 0.14 -0.28 0.00 -1.00 0.00 0.00 55.97 54.80 1x5i s LYS 99 Cb -0.06 -0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.49 1x5i s LYS 99 CO -0.00 -0.13 0.98 0.00 0.10 0.00 0.00 175.35 176.30 1x5i s ALA 100 N 0.85 3.53 0.26 0.59 0.00 -1.26 -2.69 121.76 123.04 1x5i s ALA 100 Ca -0.07 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1x5i s ALA 100 Cb -0.10 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1x5i s ALA 100 CO -0.02 -0.78 -0.11 -0.59 0.00 0.00 0.00 175.76 174.26 1x5i s PHE 101 N 2.49 1.95 0.23 0.00 -0.12 -0.96 0.11 117.98 121.68 1x5i s PHE 101 Ca 0.45 -0.60 -0.08 0.00 -0.05 0.00 0.00 56.93 56.65 1x5i s PHE 101 Cb -0.17 -1.02 0.03 0.00 -0.63 0.00 0.00 43.02 41.24 1x5i s PHE 101 CO 0.12 0.38 0.46 0.27 -0.05 0.00 0.00 175.22 176.41 1x5i n ASN 102 N -0.54 -1.34 -0.24 1.98 6.94 0.53 -2.93 115.26 119.67 1x5i n ASN 102 Ca -0.06 -1.97 0.20 0.00 -0.02 0.00 0.00 54.58 52.73 1x5i n ASN 102 Cb 0.62 2.24 0.52 0.00 -2.36 0.00 0.00 39.78 40.80 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 1.18 0.38 -0.10 0.53 -0.73 -1.94 -0.92 115.58 113.98 1x5i h ASN 103 Ca -0.20 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 1x5i h ASN 103 Cb 0.74 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.29 1x5i h ASN 103 CO 0.25 0.15 0.01 0.58 -0.37 0.00 0.00 177.43 178.05 1x5i h VAL 104 N 0.38 1.23 0.00 2.57 2.07 -1.87 -3.49 116.25 117.13 1x5i h VAL 104 Ca 0.47 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1x5i h VAL 104 Cb 1.20 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1x5i h VAL 104 CO -0.17 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1x5i n GLY 105 N -0.38 -0.54 3.20 2.17 0.00 -0.35 -4.89 105.19 104.41 1x5i n GLY 105 Ca -0.06 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N 0.00 0.93 0.00 1.61 2.02 -1.26 -0.35 118.70 121.65 1x5i s GLU 106 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1x5i s GLU 106 Cb 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.73 1x5i s GLU 106 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1x5i n GLY 107 N 0.15 2.77 3.67 -1.39 0.00 0.30 -4.74 105.19 105.95 1x5i n GLY 107 Ca -0.13 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 108 N 0.86 4.91 0.96 -0.61 -1.09 -1.26 -4.69 121.20 120.28 1x5i s ILE 108 Ca 0.00 1.56 -0.12 0.00 -2.23 0.00 0.00 60.65 59.86 1x5i s ILE 108 Cb 0.00 -4.11 0.17 0.00 -1.58 0.00 0.00 42.46 36.94 1x5i s ILE 108 CO 0.00 0.06 1.09 -2.16 -1.23 0.00 0.00 174.94 172.70 1x5i s PRO 109 N 1.97 0.71 0.49 2.79 0.04 -1.26 -4.25 135.00 135.49 1x5i s PRO 109 Ca 0.37 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.07 1x5i s PRO 109 Cb -0.17 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1x5i s PRO 109 CO 0.13 -2.57 0.06 -0.51 0.04 0.00 0.00 177.00 174.16 1x5i s LEU 110 N -6.38 2.50 -0.05 -3.56 1.43 0.01 -4.90 118.68 107.73 1x5i s LEU 110 Ca 0.65 -1.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1x5i s LEU 110 Cb -0.18 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1x5i s LEU 110 CO 0.57 -0.79 -0.01 -0.31 0.23 0.00 0.00 176.35 176.05 1x5i s TYR 111 N -2.82 0.55 0.32 0.29 1.51 -1.26 -3.98 117.35 111.95 1x5i s TYR 111 Ca 0.17 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 1x5i s TYR 111 Cb 0.03 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1x5i s TYR 111 CO 0.09 -0.22 0.15 -1.21 -1.11 0.00 0.00 175.55 173.25 1x5i s GLU 112 N 1.42 1.64 -0.01 -0.62 0.41 -0.78 -5.03 118.70 115.73 1x5i s GLU 112 Ca -0.04 -1.94 0.01 0.00 -0.41 0.00 0.00 54.97 52.59 1x5i s GLU 112 Cb -0.13 -0.21 0.01 0.00 -1.78 0.00 0.00 34.13 32.02 1x5i s GLU 112 CO -0.03 -0.44 -0.01 -1.54 -0.49 0.00 0.00 175.26 172.76 1x5i s SER 113 N -3.41 0.30 -0.16 -0.19 1.04 -1.26 -3.56 113.70 106.46 1x5i s SER 113 Ca 0.34 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1x5i s SER 113 Cb 0.05 -0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.14 1x5i s SER 113 CO 0.17 -0.03 0.22 0.00 0.98 0.00 0.00 173.24 174.58 1x5i s ALA 114 N 0.45 -0.33 -0.49 5.32 0.00 -0.83 -4.90 121.76 120.98 1x5i s ALA 114 Ca -0.04 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 1x5i s ALA 114 Cb -0.07 -1.13 0.11 0.00 0.00 0.00 0.00 23.12 22.03 1x5i s ALA 114 CO -0.01 -0.91 0.41 0.08 0.00 0.00 0.00 175.76 175.34 1x5i s VAL 115 N 2.35 4.92 0.45 0.00 1.01 -1.26 -0.70 120.40 127.17 1x5i s VAL 115 Ca 0.05 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 1x5i s VAL 115 Cb -0.14 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1x5i s VAL 115 CO -0.10 -0.72 0.64 0.35 0.00 0.00 0.00 175.10 175.27 1x5i n THR 116 N 5.14 2.03 -1.73 3.92 -2.24 -1.00 -4.76 114.28 115.64 1x5i n THR 116 Ca -0.12 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.84 1x5i n THR 116 Cb 0.42 -0.70 0.04 0.00 -2.10 0.00 0.00 70.33 67.99 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -1.78 3.05 -0.11 -0.78 0.52 -1.24 -3.00 118.95 115.62 1x5i s ARG 117 Ca 0.64 1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 56.61 1x5i s ARG 117 Cb -0.56 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1x5i s ARG 117 CO 0.57 -1.01 1.54 -1.25 0.02 0.00 0.00 175.30 175.16 1x5i s PRO 118 N -4.68 4.13 -0.50 3.54 0.04 -1.26 -2.79 135.00 133.48 1x5i s PRO 118 Ca 0.60 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 1x5i s PRO 118 Cb -0.15 -3.93 0.40 0.00 0.04 0.00 0.00 34.50 30.86 1x5i s PRO 118 CO 0.48 -0.88 1.97 1.58 0.04 0.00 0.00 177.00 180.19 1x5i n HIS 119 N 7.21 2.58 -3.10 0.56 -0.00 -1.26 -4.83 115.22 116.38 1x5i n HIS 119 Ca 0.17 -2.42 -0.45 0.00 0.46 0.00 0.00 57.72 55.48 1x5i n HIS 119 Cb 0.44 -1.17 -0.01 0.00 -0.12 0.00 0.00 29.99 29.13 1x5i n HIS 119 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1x5i s THR 120 N -3.62 5.31 0.04 3.57 -4.23 -1.26 -4.95 115.64 110.50 1x5i s THR 120 Ca 0.51 -2.64 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1x5i s THR 120 Cb 0.41 -4.75 0.06 0.00 1.34 0.00 0.00 72.50 69.55 1x5i s THR 120 CO 0.01 -1.41 0.56 -0.44 -0.54 0.00 0.00 174.62 172.80 1x5i s SER 121 N 2.49 -0.50 0.00 3.99 0.01 -1.26 -5.16 113.70 113.27 1x5i s SER 121 Ca 0.35 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1x5i s SER 121 Cb -0.06 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1x5i s SER 121 CO -0.05 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1x5i n GLY 122 N 0.39 1.47 0.00 3.44 0.00 -1.26 -4.91 105.19 104.33 1x5i n GLY 122 Ca -0.18 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1x5i n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5i n PRO 123 N 0.00 0.26 0.04 1.61 -0.04 -1.26 -3.41 135.00 132.20 1x5i n PRO 123 Ca 0.00 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1x5i n PRO 123 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1x5i n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5i h SER 124 N 0.00 -0.18 0.87 3.54 0.87 -2.04 -3.18 113.55 113.44 1x5i h SER 124 Ca 0.00 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1x5i h SER 124 Cb 0.11 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1x5i h SER 124 CO 0.00 -0.09 -0.42 -1.28 -0.53 0.00 0.00 176.83 174.51 1x5i h SER 125 N -0.10 -0.99 0.00 6.23 0.87 -1.92 -3.55 113.55 114.09 1x5i h SER 125 Ca 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x5i h SER 125 Cb 0.14 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1x5i h SER 125 CO -0.08 -0.69 0.00 0.61 -0.53 0.00 0.00 176.83 176.14