#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 7.30 -4.62 1.61 7.64 -1.26 -4.70 113.62 119.59 1x5i n SER 2 Ca 0.00 -3.58 -0.28 0.00 1.01 0.00 0.00 58.87 56.02 1x5i n SER 2 Cb 0.00 -1.03 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.07 3.76 0.29 6.43 0.15 -1.26 -5.00 113.70 117.00 1x5i s SER 3 Ca 0.54 -1.42 0.17 0.00 0.70 0.00 0.00 55.95 55.95 1x5i s SER 3 Cb 0.43 -0.22 1.06 0.00 -1.71 0.00 0.00 66.02 65.57 1x5i s SER 3 CO -0.08 -0.53 1.23 0.61 1.20 0.00 0.00 173.24 175.67 1x5i n GLY 4 N -0.99 -0.59 3.02 9.45 0.00 -1.26 -4.54 105.19 110.29 1x5i n GLY 4 Ca -0.07 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 1x5i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5i n SER 5 N -4.73 -5.66 -4.66 1.61 2.88 -1.26 -4.83 113.62 96.97 1x5i n SER 5 Ca 0.30 0.18 -0.43 0.00 -1.33 0.00 0.00 58.87 57.59 1x5i n SER 5 Cb 1.02 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 63.68 1x5i n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5i s SER 6 N -1.06 7.10 0.00 -3.46 1.04 -1.26 -4.87 113.70 111.18 1x5i s SER 6 Ca 0.41 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1x5i s SER 6 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x5i s SER 6 CO 0.81 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1x5i n GLY 7 N 3.32 0.97 0.00 7.32 0.00 -1.26 -4.92 105.19 110.62 1x5i n GLY 7 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1x5i n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5i n PRO 8 N 0.00 0.39 -0.49 1.61 -0.04 -1.26 -4.83 135.00 130.39 1x5i n PRO 8 Ca 0.00 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1x5i n PRO 8 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i n ALA 9 N -1.10 -2.44 -1.41 0.55 0.00 -1.26 -4.87 120.51 109.97 1x5i n ALA 9 Ca 0.10 -1.29 -0.35 0.00 0.00 0.00 0.00 53.44 51.90 1x5i n ALA 9 Cb 0.08 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.40 1x5i n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5i n THR 10 N -4.75 3.58 -3.99 0.00 -2.24 -1.26 -4.85 114.28 100.78 1x5i n THR 10 Ca 0.06 -3.10 -0.31 0.00 -2.27 0.00 0.00 64.05 58.43 1x5i n THR 10 Cb 0.47 -1.19 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1x5i n THR 10 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5i n ASP 11 N -0.75 -3.88 -4.42 3.42 9.92 -1.26 -4.94 116.55 114.64 1x5i n ASP 11 Ca 0.59 -0.86 -0.37 0.00 -0.53 0.00 0.00 54.79 53.62 1x5i n ASP 11 Cb 0.58 -3.55 -0.12 0.00 -0.64 0.00 0.00 41.12 37.39 1x5i n ASP 11 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1x5i s TRP 12 N -3.36 3.14 -0.28 1.24 -0.11 -1.26 -4.96 118.94 113.34 1x5i s TRP 12 Ca 0.60 -0.62 0.17 0.00 1.22 0.00 0.00 56.10 57.47 1x5i s TRP 12 Cb -0.31 -2.29 0.49 0.00 -1.50 0.00 0.00 33.47 29.86 1x5i s TRP 12 CO 0.86 -0.45 1.12 1.28 -4.62 0.00 0.00 176.95 175.14 1x5i n LEU 13 N 4.93 2.72 -0.23 5.86 4.77 -1.26 -4.90 117.00 128.88 1x5i n LEU 13 Ca -0.15 -3.71 0.04 0.00 -0.03 0.00 0.00 56.01 52.16 1x5i n LEU 13 Cb 0.50 0.18 0.15 0.00 -2.33 0.00 0.00 43.42 41.92 1x5i n LEU 13 CO 0.32 1.46 0.87 -1.28 -1.33 0.00 0.00 177.39 177.43 1x5i h SER 14 N 2.51 -0.17 -1.22 -1.43 0.87 -2.03 -3.35 113.55 108.73 1x5i h SER 14 Ca 0.04 0.16 -0.32 0.00 -1.23 0.00 0.00 61.79 60.44 1x5i h SER 14 Cb 1.33 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1x5i h SER 14 CO 0.42 -0.10 1.06 0.00 -0.53 0.00 0.00 176.83 177.68 1x5i s ALA 15 N -6.10 1.40 -0.30 6.23 0.00 -1.26 -4.83 121.76 116.90 1x5i s ALA 15 Ca -0.13 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1x5i s ALA 15 Cb 0.21 -4.43 0.16 0.00 0.00 0.00 0.00 23.12 19.06 1x5i s ALA 15 CO 0.75 -4.88 1.00 -2.00 0.00 0.00 0.00 175.76 170.63 1x5i s GLU 16 N 8.26 0.29 -0.45 0.00 2.12 -1.26 -5.03 118.70 122.63 1x5i s GLU 16 Ca 0.91 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.95 1x5i s GLU 16 Cb -0.15 0.39 0.43 0.00 0.26 0.00 0.00 34.13 35.07 1x5i s GLU 16 CO 0.18 -0.09 1.89 0.25 -0.54 0.00 0.00 175.26 176.95 1x5i n THR 17 N 4.82 3.05 -2.37 -1.70 -2.24 -1.26 -4.27 114.28 110.30 1x5i n THR 17 Ca -0.10 -2.01 -0.09 0.00 -2.27 0.00 0.00 64.05 59.58 1x5i n THR 17 Cb 0.53 -0.94 0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1x5i n THR 17 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1x5i n PHE 18 N -0.59 1.69 -2.37 4.78 3.01 -1.26 -5.09 117.46 117.63 1x5i n PHE 18 Ca 0.49 -1.99 -0.33 0.00 1.01 0.00 0.00 57.45 56.62 1x5i n PHE 18 Cb 0.99 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 40.17 1x5i n PHE 18 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1x5i s GLU 19 N -3.38 3.69 -1.92 -1.08 2.56 -1.26 -3.38 118.70 113.93 1x5i s GLU 19 Ca 0.39 1.23 0.00 0.00 0.00 0.00 0.00 54.97 56.59 1x5i s GLU 19 Cb 0.37 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 34.41 1x5i s GLU 19 CO -0.02 -0.51 0.00 0.45 -0.56 0.00 0.00 175.26 174.62 1x5i n SER 20 N -1.39 -5.60 0.00 -1.70 2.88 -1.26 -4.78 113.62 101.76 1x5i n SER 20 Ca 0.09 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1x5i n SER 20 Cb 0.53 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 1x5i n SER 20 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x5i n ASP 21 N -1.57 3.82 -3.74 -3.46 8.00 -1.22 -5.07 116.55 113.31 1x5i n ASP 21 Ca -0.22 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1x5i n ASP 21 Cb 0.67 0.60 0.27 0.00 -0.02 0.00 0.00 41.12 42.64 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x5i s LEU 22 N -2.72 -0.43 -0.29 0.64 2.01 -1.26 -5.02 118.68 111.61 1x5i s LEU 22 Ca 0.00 0.96 0.00 0.00 0.01 0.00 0.00 54.13 55.11 1x5i s LEU 22 Cb 0.00 -2.54 0.09 0.00 0.01 0.00 0.00 46.19 43.74 1x5i s LEU 22 CO 0.00 -4.93 0.05 -1.81 1.01 0.00 0.00 176.35 170.66 1x5i s ASP 23 N -3.12 4.02 -0.19 2.29 1.01 0.60 -4.96 116.67 116.32 1x5i s ASP 23 Ca 0.69 -1.55 0.18 0.00 0.71 0.00 0.00 52.55 52.58 1x5i s ASP 23 Cb -0.15 -1.06 0.46 0.00 1.01 0.00 0.00 42.92 43.18 1x5i s ASP 23 CO 0.59 -0.35 1.16 1.21 0.21 0.00 0.00 175.17 177.99 1x5i n GLU 24 N 4.71 1.66 -0.01 8.23 2.13 -1.26 -0.80 120.64 135.29 1x5i n GLU 24 Ca -0.04 -3.22 0.07 0.00 0.66 0.00 0.00 57.16 54.63 1x5i n GLU 24 Cb 0.43 -1.33 -0.11 0.00 0.27 0.00 0.00 31.44 30.70 1x5i n GLU 24 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5i n THR 25 N -0.42 0.04 -4.19 6.31 5.66 -1.26 -4.56 114.28 115.86 1x5i n THR 25 Ca 0.17 -0.35 -0.16 0.00 -3.05 0.00 0.00 64.05 60.65 1x5i n THR 25 Cb 0.91 0.13 -0.11 0.00 -1.55 0.00 0.00 70.33 69.71 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5i s ARG 26 N -2.99 0.89 0.47 1.09 1.70 -1.26 -4.95 118.95 113.90 1x5i s ARG 26 Ca -0.05 -1.13 -0.22 0.00 -0.47 0.00 0.00 55.73 53.86 1x5i s ARG 26 Cb 0.09 -0.72 -0.08 0.00 -0.57 0.00 0.00 34.95 33.68 1x5i s ARG 26 CO 0.61 0.13 1.11 0.14 -1.08 0.00 0.00 175.30 176.21 1x5i s VAL 27 N -2.04 3.39 -0.18 4.99 -7.23 -1.26 -4.77 120.40 113.29 1x5i s VAL 27 Ca 0.04 0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 60.89 1x5i s VAL 27 Cb -0.05 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 1x5i s VAL 27 CO 0.02 -0.09 1.58 -2.16 -0.31 0.00 0.00 175.10 174.14 1x5i s PRO 28 N -2.91 3.92 0.95 4.82 0.04 -1.26 -4.92 135.00 135.63 1x5i s PRO 28 Ca 0.65 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 1x5i s PRO 28 Cb -0.23 -4.00 0.16 0.00 0.04 0.00 0.00 34.50 30.47 1x5i s PRO 28 CO 0.28 -1.14 1.09 -1.83 0.04 0.00 0.00 177.00 175.44 1x5i s GLU 29 N 4.42 0.83 0.13 4.56 -1.05 -1.26 -3.84 118.70 122.49 1x5i s GLU 29 Ca 0.70 1.01 -0.22 0.00 -0.15 0.00 0.00 54.97 56.31 1x5i s GLU 29 Cb -0.26 -1.75 -0.13 0.00 -0.44 0.00 0.00 34.13 31.56 1x5i s GLU 29 CO 0.28 -2.59 0.43 1.55 0.95 0.00 0.00 175.26 175.88 1x5i n VAL 30 N -4.15 1.29 -1.15 1.83 3.14 -1.26 -4.81 118.33 113.22 1x5i n VAL 30 Ca 0.07 -0.32 -0.29 0.00 -2.96 0.00 0.00 64.34 60.84 1x5i n VAL 30 Cb 0.54 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.65 0.02 0.16 1.45 0.04 -1.26 -4.90 135.00 129.86 1x5i s PRO 31 Ca 0.50 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.74 1x5i s PRO 31 Cb -0.72 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.19 1x5i s PRO 31 CO 0.41 -2.97 1.67 0.66 0.04 0.00 0.00 177.00 176.81 1x5i h SER 32 N -2.06 -0.36 -5.61 6.66 4.64 -1.72 -3.47 113.55 111.62 1x5i h SER 32 Ca -0.53 0.11 0.26 0.00 -0.47 0.00 0.00 61.79 61.16 1x5i h SER 32 Cb 1.33 0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 63.58 1x5i h SER 32 CO 0.54 -0.13 0.72 -0.55 -0.87 0.00 0.00 176.83 176.54 1x5i s SER 33 N -5.21 -0.03 -0.18 4.97 0.15 -1.26 -5.10 113.70 107.03 1x5i s SER 33 Ca -0.14 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 1x5i s SER 33 Cb 0.14 0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.85 1x5i s SER 33 CO 0.70 -0.61 0.28 -0.22 1.20 0.00 0.00 173.24 174.59 1x5i s LEU 34 N -3.36 -0.32 0.03 3.45 2.96 -1.26 -3.75 118.68 116.43 1x5i s LEU 34 Ca 0.21 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1x5i s LEU 34 Cb 0.00 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.36 1x5i s LEU 34 CO 0.01 -0.28 0.10 -2.28 -1.32 0.00 0.00 176.35 172.57 1x5i s HIS 35 N 2.42 3.29 -0.02 5.38 5.65 -0.63 -5.00 115.29 126.39 1x5i s HIS 35 Ca 0.05 0.17 0.01 0.00 0.25 0.00 0.00 55.06 55.55 1x5i s HIS 35 Cb -0.14 -1.70 0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1x5i s HIS 35 CO -0.11 0.55 -0.04 0.14 -0.65 0.00 0.00 174.74 174.62 1x5i s VAL 36 N -1.30 0.39 -0.29 0.89 -7.23 -1.26 -1.48 120.40 110.11 1x5i s VAL 36 Ca 0.26 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.31 1x5i s VAL 36 Cb -0.12 -0.38 0.07 0.00 0.56 0.00 0.00 36.38 36.51 1x5i s VAL 36 CO 0.18 0.14 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.49 1x5i s ARG 37 N 0.33 2.18 -0.05 4.82 3.00 -0.00 -4.98 118.95 124.24 1x5i s ARG 37 Ca -0.04 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.73 52.96 1x5i s ARG 37 Cb -0.07 -3.08 -0.05 0.00 0.00 0.00 0.00 34.95 31.75 1x5i s ARG 37 CO -0.00 -0.67 1.49 -1.25 0.00 0.00 0.00 175.30 174.86 1x5i s PRO 38 N 1.12 4.23 0.18 5.12 0.04 -1.26 -0.86 135.00 143.57 1x5i s PRO 38 Ca -0.04 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1x5i s PRO 38 Cb -0.20 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1x5i s PRO 38 CO -0.04 -0.72 -0.14 -0.51 0.04 0.00 0.00 177.00 175.62 1x5i s LEU 39 N 3.31 2.80 0.00 -3.56 1.02 0.13 -4.64 118.68 117.73 1x5i s LEU 39 Ca 0.66 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 54.15 1x5i s LEU 39 Cb -0.31 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.40 1x5i s LEU 39 CO 0.25 0.11 0.41 0.52 0.02 0.00 0.00 176.35 177.66 1x5i n VAL 40 N 0.13 0.00 -1.34 -1.59 0.31 -1.26 -2.10 118.33 112.49 1x5i n VAL 40 Ca -0.11 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 64.92 1x5i n VAL 40 Cb 0.55 -0.94 0.20 0.00 -0.91 0.00 0.00 33.84 32.75 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 -1.71 2.28 -3.90 2.52 -2.24 -1.26 -4.08 114.28 105.90 1x5i n THR 41 Ca 0.00 -2.64 -0.11 0.00 -2.27 0.00 0.00 64.05 59.03 1x5i n THR 41 Cb 0.00 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1x5i n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 42 N -1.09 -1.32 -3.56 3.42 3.41 -0.89 -2.92 113.62 110.68 1x5i n SER 42 Ca 0.24 -2.52 -0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1x5i n SER 42 Cb 0.84 2.37 -0.03 0.00 -0.26 0.00 0.00 64.21 67.12 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x5i s ILE 43 N -2.63 -0.98 -0.60 -1.33 1.01 -0.78 0.18 121.20 116.06 1x5i s ILE 43 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1x5i s ILE 43 Cb -0.02 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.50 1x5i s ILE 43 CO 0.16 0.00 0.99 -0.69 0.00 0.00 0.00 174.94 175.40 1x5i s VAL 44 N 2.88 4.29 -0.55 2.92 1.01 -0.04 -1.60 120.40 129.31 1x5i s VAL 44 Ca -0.01 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1x5i s VAL 44 Cb -0.12 -4.63 0.10 0.00 0.00 0.00 0.00 36.38 31.73 1x5i s VAL 44 CO -0.19 -1.31 0.57 -0.69 0.00 0.00 0.00 175.10 173.48 1x5i s VAL 45 N 4.21 5.04 -0.11 2.92 1.01 0.81 -0.82 120.40 133.46 1x5i s VAL 45 Ca 0.29 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1x5i s VAL 45 Cb -0.13 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1x5i s VAL 45 CO 0.16 -0.91 0.10 -0.55 0.00 0.00 0.00 175.10 173.90 1x5i s SER 46 N 3.37 6.03 0.06 3.32 0.15 -0.55 0.13 113.70 126.21 1x5i s SER 46 Ca 0.07 0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.04 1x5i s SER 46 Cb -0.26 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1x5i s SER 46 CO 0.06 0.39 0.06 -1.66 1.20 0.00 0.00 173.24 173.29 1x5i s TRP 47 N -0.93 0.35 0.11 3.44 -2.14 -0.50 -1.60 118.94 117.66 1x5i s TRP 47 Ca 0.14 -0.83 0.07 0.00 2.66 0.00 0.00 56.10 58.15 1x5i s TRP 47 Cb -0.12 -0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 29.97 1x5i s TRP 47 CO 0.03 -0.43 -0.18 0.95 -2.66 0.00 0.00 176.95 174.66 1x5i s THR 48 N -3.72 1.55 0.87 0.66 -4.23 -1.25 -4.64 115.64 104.88 1x5i s THR 48 Ca 0.05 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1x5i s THR 48 Cb 0.06 -1.48 0.11 0.00 1.34 0.00 0.00 72.50 72.53 1x5i s THR 48 CO -0.10 -0.17 1.09 -2.16 -0.54 0.00 0.00 174.62 172.75 1x5i s PRO 49 N -2.07 1.50 0.13 3.99 0.04 -1.26 -4.09 135.00 133.24 1x5i s PRO 49 Ca 0.06 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 1x5i s PRO 49 Cb -0.09 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1x5i s PRO 49 CO 0.04 -2.10 1.35 -1.25 0.04 0.00 0.00 177.00 175.08 1x5i s PRO 50 N -4.93 4.35 0.27 0.56 0.04 -1.26 -4.14 135.00 129.89 1x5i s PRO 50 Ca 0.63 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1x5i s PRO 50 Cb -0.18 -3.25 0.62 0.00 0.04 0.00 0.00 34.50 31.74 1x5i s PRO 50 CO 0.57 -0.38 1.36 0.39 0.04 0.00 0.00 177.00 178.98 1x5i n GLU 51 N 3.68 -0.07 -2.31 4.56 1.02 -1.26 -3.09 120.64 123.17 1x5i n GLU 51 Ca 0.10 1.32 -0.34 0.00 -0.02 0.00 0.00 57.16 58.21 1x5i n GLU 51 Cb 0.43 -2.07 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x5i s ASN 52 N -5.04 5.85 0.42 1.62 2.47 -1.26 -4.78 114.94 114.22 1x5i s ASN 52 Ca -0.12 -1.54 0.10 0.00 0.42 0.00 0.00 52.86 51.72 1x5i s ASN 52 Cb 0.25 -2.57 0.93 0.00 -1.45 0.00 0.00 41.25 38.41 1x5i s ASN 52 CO 0.68 -2.15 2.04 1.56 -3.72 0.00 0.00 177.10 175.51 1x5i h GLN 53 N 9.64 0.47 -0.82 0.43 1.08 -1.95 -2.66 115.11 121.29 1x5i h GLN 53 Ca 0.24 -0.03 0.32 0.00 -1.45 0.00 0.00 58.65 57.73 1x5i h GLN 53 Cb 0.96 -0.11 -0.15 0.00 -0.05 0.00 0.00 27.48 28.13 1x5i h GLN 53 CO 1.33 0.31 0.36 0.09 -0.95 0.00 0.00 178.83 179.96 1x5i n ASN 54 N -4.48 0.21 -4.65 1.46 4.13 -1.26 -4.13 115.26 106.53 1x5i n ASN 54 Ca 0.05 1.37 -0.42 0.00 1.68 0.00 0.00 54.58 57.26 1x5i n ASN 54 Cb 0.15 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.73 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5i s ILE 55 N -5.36 3.61 -0.37 2.41 1.01 -1.01 -0.30 121.20 121.20 1x5i s ILE 55 Ca -0.08 0.73 -0.28 0.00 0.00 0.00 0.00 60.65 61.02 1x5i s ILE 55 Cb 0.27 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1x5i s ILE 55 CO 0.64 -0.10 1.88 -0.69 0.00 0.00 0.00 174.94 176.68 1x5i s VAL 56 N 4.27 3.39 -0.39 2.92 1.01 0.02 -4.91 120.40 126.71 1x5i s VAL 56 Ca 0.73 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1x5i s VAL 56 Cb -0.32 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1x5i s VAL 56 CO 0.29 -0.43 0.23 -0.69 0.00 0.00 0.00 175.10 174.49 1x5i s VAL 57 N 7.67 4.47 -0.04 2.92 1.01 -1.26 -4.61 120.40 130.56 1x5i s VAL 57 Ca 0.80 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 1x5i s VAL 57 Cb -0.21 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 1x5i s VAL 57 CO 0.31 -0.33 0.99 0.03 0.00 0.00 0.00 175.10 176.10 1x5i h ARG 58 N 8.44 -0.21 0.00 2.72 2.47 -1.91 -3.42 114.38 122.47 1x5i h ARG 58 Ca -0.25 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1x5i h ARG 58 Cb 1.10 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 1x5i h ARG 58 CO 0.70 0.22 0.36 0.41 0.56 0.00 0.00 179.97 182.22 1x5i n GLY 59 N 0.40 0.93 3.34 0.04 0.00 -1.19 -1.08 105.19 107.62 1x5i n GLY 59 Ca -0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.49 1.60 -0.14 1.61 1.51 -1.16 -2.23 117.35 115.04 1x5i s TYR 60 Ca 0.15 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1x5i s TYR 60 Cb -0.02 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1x5i s TYR 60 CO 0.05 0.11 -0.16 0.00 -1.11 0.00 0.00 175.55 174.43 1x5i s ALA 61 N -3.26 2.46 -0.22 3.71 0.00 -1.00 -2.91 121.76 120.54 1x5i s ALA 61 Ca 0.25 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1x5i s ALA 61 Cb 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1x5i s ALA 61 CO 0.07 0.05 0.02 0.42 0.00 0.00 0.00 175.76 176.33 1x5i s ILE 62 N 0.68 4.02 -0.21 0.00 1.01 -1.00 -2.90 121.20 122.80 1x5i s ILE 62 Ca -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1x5i s ILE 62 Cb -0.16 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1x5i s ILE 62 CO 0.02 0.39 -0.10 -0.83 0.00 0.00 0.00 174.94 174.42 1x5i s GLY 63 N 1.31 1.53 0.08 6.18 0.00 -0.30 -1.86 107.32 114.26 1x5i s GLY 63 Ca 0.04 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.63 1x5i s GLY 63 CO 0.02 0.38 -0.19 -2.52 0.00 0.00 0.00 173.10 170.78 1x5i s TYR 64 N 1.40 1.63 0.00 1.90 1.13 -1.22 -1.47 117.35 120.71 1x5i s TYR 64 Ca 0.05 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 1x5i s TYR 64 Cb -0.14 -0.91 0.00 0.00 -1.10 0.00 0.00 41.96 39.81 1x5i s TYR 64 CO -0.07 0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.52 1x5i n GLY 65 N 1.31 1.81 3.59 5.49 0.00 -1.17 -3.03 105.19 113.19 1x5i n GLY 65 Ca -0.19 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N -0.40 0.41 -1.63 -0.61 2.08 -1.26 -1.76 119.36 116.19 1x5i n ILE 66 Ca 0.00 -0.35 -0.04 0.00 0.56 0.00 0.00 62.75 62.93 1x5i n ILE 66 Cb 0.00 -2.32 -0.01 0.00 -0.75 0.00 0.00 39.64 36.56 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x5i n GLY 67 N 5.56 0.03 3.15 7.39 0.00 -1.09 -4.79 105.19 115.45 1x5i n GLY 67 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.57 -0.89 0.28 1.61 0.01 -0.96 -4.96 113.70 107.22 1x5i s SER 68 Ca 0.00 0.53 0.24 0.00 1.31 0.00 0.00 55.95 58.03 1x5i s SER 68 Cb 0.00 1.73 1.01 0.00 0.21 0.00 0.00 66.02 68.97 1x5i s SER 68 CO 0.00 -0.17 1.73 1.55 0.41 0.00 0.00 173.24 176.77 1x5i h PRO 69 N 7.98 0.00 -1.99 12.44 0.13 -1.75 -3.17 132.00 145.63 1x5i h PRO 69 Ca -0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1x5i h PRO 69 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1x5i h PRO 69 CO 0.06 0.00 -0.10 -2.39 -0.23 0.00 0.00 178.00 175.34 1x5i n HIS 70 N -2.30 0.04 -0.05 1.56 1.44 -1.26 -3.65 115.22 111.01 1x5i n HIS 70 Ca 0.02 -1.16 -0.06 0.00 -2.01 0.00 0.00 57.72 54.50 1x5i n HIS 70 Cb 0.23 -0.82 -0.05 0.00 0.12 0.00 0.00 29.99 29.48 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5i n ALA 71 N 1.75 1.80 -2.73 1.59 0.00 -1.23 -5.08 120.51 116.60 1x5i n ALA 71 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1x5i n ALA 71 Cb 0.62 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.19 0.89 -0.01 0.00 -1.52 -1.17 -5.04 119.66 110.63 1x5i s GLN 72 Ca -0.12 -0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 52.45 1x5i s GLN 72 Cb 0.03 0.37 0.00 0.00 -0.22 0.00 0.00 33.01 33.20 1x5i s GLN 72 CO 0.23 -0.30 0.03 0.99 -0.25 0.00 0.00 175.29 175.98 1x5i s THR 73 N -3.66 -0.00 -0.23 -0.19 2.01 -1.26 -3.41 115.64 108.90 1x5i s THR 73 Ca 0.03 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1x5i s THR 73 Cb 0.03 -0.05 0.07 0.00 0.01 0.00 0.00 72.50 72.56 1x5i s THR 73 CO -0.10 0.00 0.03 -0.63 -0.69 0.00 0.00 174.62 173.23 1x5i s ILE 74 N 0.05 0.82 -0.40 1.82 1.01 -0.78 -4.96 121.20 118.75 1x5i s ILE 74 Ca -0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 1x5i s ILE 74 Cb -0.01 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1x5i s ILE 74 CO -0.00 -0.28 0.55 -0.54 0.00 0.00 0.00 174.94 174.67 1x5i s LYS 75 N 1.71 3.36 0.42 2.79 1.02 -1.26 -2.39 119.74 125.39 1x5i s LYS 75 Ca 0.00 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 55.67 1x5i s LYS 75 Cb -0.18 -3.90 -0.06 0.00 -0.52 0.00 0.00 37.83 33.17 1x5i s LYS 75 CO -0.11 -0.84 0.08 0.14 -0.92 0.00 0.00 175.35 173.69 1x5i s VAL 76 N 2.51 2.04 0.67 3.17 -7.23 -1.15 -5.01 120.40 115.40 1x5i s VAL 76 Ca 0.19 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1x5i s VAL 76 Cb -0.15 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1x5i s VAL 76 CO 0.16 0.00 1.06 -0.62 -0.31 0.00 0.00 175.10 175.39 1x5i s ASP 77 N -3.80 5.76 0.16 4.85 2.15 -1.26 -2.99 116.67 121.53 1x5i s ASP 77 Ca 0.35 1.31 -0.19 0.00 0.43 0.00 0.00 52.55 54.45 1x5i s ASP 77 Cb 0.07 -2.23 0.06 0.00 -0.30 0.00 0.00 42.92 40.52 1x5i s ASP 77 CO 0.19 -1.16 1.66 0.10 -0.17 0.00 0.00 175.17 175.78 1x5i h TYR 78 N -0.52 -0.36 -0.77 -5.34 -0.00 -1.36 -2.39 116.97 106.21 1x5i h TYR 78 Ca -0.45 0.03 0.11 0.00 -0.00 0.00 0.00 58.73 58.43 1x5i h TYR 78 Cb 1.22 0.21 -0.12 0.00 -0.00 0.00 0.00 36.73 38.04 1x5i h TYR 78 CO 0.58 -0.22 -0.33 1.63 -0.00 0.00 0.00 178.16 179.82 1x5i n LYS 79 N -5.33 -0.22 -1.38 0.10 5.02 -1.26 -4.24 118.16 110.85 1x5i n LYS 79 Ca 0.01 1.18 -0.52 0.00 -2.02 0.00 0.00 58.31 56.96 1x5i n LYS 79 Cb 0.24 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1x5i n LYS 79 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x5i n GLN 80 N -5.10 0.41 0.13 1.97 1.13 -0.90 -4.79 117.38 110.23 1x5i n GLN 80 Ca 0.06 0.09 -0.22 0.00 -1.94 0.00 0.00 57.00 55.00 1x5i n GLN 80 Cb 0.29 -1.94 -0.15 0.00 0.11 0.00 0.00 30.24 28.55 1x5i n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1x5i h ARG 81 N 11.41 0.49 -4.28 -1.09 1.12 -1.87 -3.48 114.38 116.68 1x5i h ARG 81 Ca -0.15 -0.80 -0.18 0.00 -1.11 0.00 0.00 59.98 57.73 1x5i h ARG 81 Cb 1.36 0.29 -0.13 0.00 -0.01 0.00 0.00 29.97 31.48 1x5i h ARG 81 CO 1.13 1.38 -0.45 1.52 -3.11 0.00 0.00 179.97 180.44 1x5i s TYR 82 N -2.68 0.91 -0.02 2.20 1.13 -1.26 -1.40 117.35 116.22 1x5i s TYR 82 Ca -0.08 -1.17 -0.00 0.00 -1.41 0.00 0.00 57.07 54.41 1x5i s TYR 82 Cb 0.05 -0.31 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1x5i s TYR 82 CO 0.93 -0.76 0.03 -0.47 -2.51 0.00 0.00 175.55 172.77 1x5i s TYR 83 N -4.10 0.02 -0.43 -3.49 6.14 0.12 -4.96 117.35 110.65 1x5i s TYR 83 Ca 0.34 0.14 -0.12 0.00 0.64 0.00 0.00 57.07 58.06 1x5i s TYR 83 Cb 0.04 -0.21 0.06 0.00 0.42 0.00 0.00 41.96 42.28 1x5i s TYR 83 CO 0.11 -0.09 0.30 0.99 0.64 0.00 0.00 175.55 177.50 1x5i s THR 84 N 0.97 4.69 -0.16 4.34 2.01 -1.26 -0.13 115.64 126.10 1x5i s THR 84 Ca -0.08 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.49 1x5i s THR 84 Cb -0.12 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 1x5i s THR 84 CO -0.03 -0.46 1.02 -0.63 -0.69 0.00 0.00 174.62 173.83 1x5i s ILE 85 N 1.54 4.73 0.28 1.82 1.01 -0.62 -4.88 121.20 125.07 1x5i s ILE 85 Ca 0.03 2.04 0.02 0.00 0.00 0.00 0.00 60.65 62.74 1x5i s ILE 85 Cb -0.22 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1x5i s ILE 85 CO 0.05 -0.08 0.21 -0.62 0.00 0.00 0.00 174.94 174.50 1x5i n GLU 86 N 5.59 1.08 -4.01 2.79 1.02 -1.26 -1.87 120.64 123.98 1x5i n GLU 86 Ca 0.10 -1.75 -0.27 0.00 -0.02 0.00 0.00 57.16 55.22 1x5i n GLU 86 Cb 0.47 0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 32.06 1x5i n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x5i n ASN 87 N -1.92 -0.89 -4.92 1.62 0.23 -1.24 -4.95 115.26 103.18 1x5i n ASN 87 Ca -0.01 -1.01 -0.21 0.00 -0.53 0.00 0.00 54.58 52.82 1x5i n ASN 87 Cb 0.32 -2.98 -0.01 0.00 -2.08 0.00 0.00 39.78 35.03 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1x5i s LEU 88 N -7.04 3.30 -0.34 -4.53 1.43 -1.15 -5.09 118.68 105.26 1x5i s LEU 88 Ca 0.15 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 1x5i s LEU 88 Cb -0.08 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1x5i s LEU 88 CO 0.90 -0.83 0.22 -1.81 0.23 0.00 0.00 176.35 175.06 1x5i s ASP 89 N -4.26 5.95 0.83 2.29 1.01 -1.26 -4.83 116.67 116.40 1x5i s ASP 89 Ca 0.49 -0.48 -0.11 0.00 0.71 0.00 0.00 52.55 53.16 1x5i s ASP 89 Cb -0.05 -2.11 0.09 0.00 1.01 0.00 0.00 42.92 41.86 1x5i s ASP 89 CO 0.29 -0.24 1.09 -2.16 0.21 0.00 0.00 175.17 174.36 1x5i s PRO 90 N 1.70 1.80 -1.23 8.23 0.04 -1.26 -4.04 135.00 140.24 1x5i s PRO 90 Ca 0.06 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1x5i s PRO 90 Cb -0.17 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x5i s PRO 90 CO 0.10 -1.92 1.03 0.43 0.04 0.00 0.00 177.00 176.68 1x5i n SER 91 N -3.69 -2.85 -3.59 6.66 7.64 -1.21 -4.96 113.62 111.62 1x5i n SER 91 Ca 0.08 -0.61 -0.16 0.00 1.01 0.00 0.00 58.87 59.20 1x5i n SER 91 Cb 0.54 -5.10 -0.06 0.00 -1.01 0.00 0.00 64.21 58.57 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5i s SER 92 N -4.17 -0.49 -0.05 6.43 0.01 -1.26 -4.98 113.70 109.19 1x5i s SER 92 Ca 0.11 0.43 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 1x5i s SER 92 Cb -0.05 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1x5i s SER 92 CO 0.73 -0.60 0.72 -2.28 0.41 0.00 0.00 173.24 172.23 1x5i s HIS 93 N -1.52 3.60 -0.06 2.43 5.65 -1.26 -1.79 115.29 122.34 1x5i s HIS 93 Ca -0.10 1.30 0.04 0.00 0.25 0.00 0.00 55.06 56.55 1x5i s HIS 93 Cb -0.01 -2.82 -0.00 0.00 -1.18 0.00 0.00 32.58 28.56 1x5i s HIS 93 CO 0.06 0.11 -0.19 0.71 -0.65 0.00 0.00 174.74 174.77 1x5i s TYR 94 N 0.70 1.99 -0.20 3.88 2.02 -0.10 -2.66 117.35 122.97 1x5i s TYR 94 Ca 0.38 -0.66 -0.09 0.00 -0.37 0.00 0.00 57.07 56.34 1x5i s TYR 94 Cb -0.18 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 1x5i s TYR 94 CO 0.19 -0.24 0.10 0.08 -1.57 0.00 0.00 175.55 174.11 1x5i s VAL 95 N 0.16 5.09 -0.02 0.71 1.01 -0.72 -1.33 120.40 125.29 1x5i s VAL 95 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1x5i s VAL 95 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1x5i s VAL 95 CO 0.04 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 174.82 1x5i s ILE 96 N 0.54 3.29 -0.02 2.22 1.09 -1.05 -3.02 121.20 124.25 1x5i s ILE 96 Ca 0.06 -0.80 -0.01 0.00 -1.10 0.00 0.00 60.65 58.80 1x5i s ILE 96 Cb -0.12 -2.36 0.02 0.00 -1.06 0.00 0.00 42.46 38.93 1x5i s ILE 96 CO 0.00 0.48 0.04 0.42 -0.10 0.00 0.00 174.94 175.78 1x5i s THR 97 N -0.87 -0.03 -0.03 2.92 -4.23 -0.54 -0.57 115.64 112.29 1x5i s THR 97 Ca 0.14 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1x5i s THR 97 Cb -0.11 -0.07 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 1x5i s THR 97 CO 0.04 0.04 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.78 1x5i s LEU 98 N 0.52 1.91 -0.01 4.79 2.96 -1.24 -1.15 118.68 126.46 1x5i s LEU 98 Ca -0.04 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1x5i s LEU 98 Cb -0.06 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.78 1x5i s LEU 98 CO -0.02 0.15 0.00 -1.59 -1.32 0.00 0.00 176.35 173.57 1x5i s LYS 99 N -0.02 0.09 0.04 1.98 -2.85 -1.14 -1.02 119.74 116.82 1x5i s LYS 99 Ca -0.02 0.05 -0.29 0.00 -1.00 0.00 0.00 55.97 54.71 1x5i s LYS 99 Cb -0.10 -0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 1x5i s LYS 99 CO 0.01 -0.06 0.92 0.00 0.10 0.00 0.00 175.35 176.33 1x5i s ALA 100 N 0.46 3.23 0.07 0.59 0.00 -1.26 -2.37 121.76 122.48 1x5i s ALA 100 Ca -0.04 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1x5i s ALA 100 Cb -0.06 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1x5i s ALA 100 CO -0.01 -0.11 -0.11 -0.59 0.00 0.00 0.00 175.76 174.94 1x5i s PHE 101 N 0.48 0.99 0.24 0.00 -0.12 -0.95 0.09 117.98 118.71 1x5i s PHE 101 Ca 0.47 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.75 1x5i s PHE 101 Cb -0.22 -0.56 0.03 0.00 -0.63 0.00 0.00 43.02 41.64 1x5i s PHE 101 CO 0.27 -0.01 0.44 0.27 -0.05 0.00 0.00 175.22 176.15 1x5i n ASN 102 N 1.14 -1.28 -0.28 1.98 6.94 0.12 -3.05 115.26 120.83 1x5i n ASN 102 Ca -0.20 -2.03 0.10 0.00 -0.02 0.00 0.00 54.58 52.42 1x5i n ASN 102 Cb 0.55 2.17 0.25 0.00 -2.36 0.00 0.00 39.78 40.39 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 1.22 0.22 -0.18 0.53 -1.24 -1.94 -0.46 115.58 113.73 1x5i h ASN 103 Ca -0.20 0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1x5i h ASN 103 Cb 0.76 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.95 1x5i h ASN 103 CO 0.25 0.00 0.11 0.58 -1.29 0.00 0.00 177.43 177.08 1x5i h VAL 104 N 0.37 1.08 0.00 2.57 2.07 -1.86 -3.49 116.25 116.99 1x5i h VAL 104 Ca 0.50 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1x5i h VAL 104 Cb 0.89 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1x5i h VAL 104 CO -0.51 0.07 0.00 0.61 0.02 0.00 0.00 177.57 177.76 1x5i n GLY 105 N -1.02 -0.51 3.85 2.17 0.00 -0.18 -4.81 105.19 104.69 1x5i n GLY 105 Ca -0.04 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.70 2.94 0.00 1.61 2.02 -1.26 0.12 118.70 122.42 1x5i s GLU 106 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1x5i s GLU 106 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1x5i s GLU 106 CO 0.00 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1x5i n GLY 107 N -1.27 3.16 3.52 -1.39 0.00 0.11 -4.74 105.19 104.58 1x5i n GLY 107 Ca -0.06 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 3.84 4.69 0.78 -0.61 -0.00 -1.26 -4.86 121.20 123.78 1x5i s ILE 108 Ca 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 60.65 60.50 1x5i s ILE 108 Cb 0.00 -3.19 0.06 0.00 -0.00 0.00 0.00 42.46 39.33 1x5i s ILE 108 CO 0.00 0.34 1.09 -2.16 -0.00 0.00 0.00 174.94 174.21 1x5i s PRO 109 N 1.43 2.17 0.34 0.37 0.04 -1.26 -4.35 135.00 133.74 1x5i s PRO 109 Ca 0.06 1.14 0.08 0.00 0.04 0.00 0.00 61.00 62.32 1x5i s PRO 109 Cb -0.15 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1x5i s PRO 109 CO 0.05 -1.70 0.20 -0.51 0.04 0.00 0.00 177.00 175.08 1x5i s LEU 110 N -5.95 3.37 -0.14 -3.56 1.43 -0.19 -4.90 118.68 108.74 1x5i s LEU 110 Ca 0.61 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1x5i s LEU 110 Cb -0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1x5i s LEU 110 CO 0.56 -0.33 -0.19 -0.31 0.23 0.00 0.00 176.35 176.31 1x5i s TYR 111 N -2.39 2.46 0.24 0.29 1.51 -1.26 -3.74 117.35 114.46 1x5i s TYR 111 Ca 0.39 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1x5i s TYR 111 Cb -0.03 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1x5i s TYR 111 CO 0.24 -0.63 0.04 -1.21 -1.11 0.00 0.00 175.55 172.88 1x5i s GLU 112 N 1.04 1.36 -0.02 -0.62 8.01 0.27 -5.00 118.70 123.75 1x5i s GLU 112 Ca -0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 54.97 53.21 1x5i s GLU 112 Cb -0.14 -0.47 0.00 0.00 -4.31 0.00 0.00 34.13 29.21 1x5i s GLU 112 CO -0.05 -0.18 0.07 -1.12 0.01 0.00 0.00 175.26 173.99 1x5i s SER 113 N -3.31 -0.01 -0.24 -0.19 0.01 -1.26 -2.52 113.70 106.19 1x5i s SER 113 Ca 0.32 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.47 1x5i s SER 113 Cb 0.07 0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.57 1x5i s SER 113 CO 0.10 -0.14 0.52 0.00 0.41 0.00 0.00 173.24 174.14 1x5i s ALA 114 N -0.48 -1.55 -0.47 1.44 0.00 -0.44 -4.95 121.76 115.30 1x5i s ALA 114 Ca -0.06 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 1x5i s ALA 114 Cb -0.04 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1x5i s ALA 114 CO 0.00 -0.82 0.46 0.08 0.00 0.00 0.00 175.76 175.48 1x5i s VAL 115 N 2.71 5.11 0.30 0.00 1.01 -1.26 -0.93 120.40 127.34 1x5i s VAL 115 Ca -0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1x5i s VAL 115 Cb -0.12 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1x5i s VAL 115 CO -0.16 -0.59 0.98 0.35 0.00 0.00 0.00 175.10 175.68 1x5i n THR 116 N 5.35 2.02 -1.87 3.92 -2.24 -0.74 -4.86 114.28 115.86 1x5i n THR 116 Ca -0.10 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 1x5i n THR 116 Cb 0.45 -0.96 0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.56 3.02 -0.18 -0.78 0.52 -1.26 -3.29 118.95 115.42 1x5i s ARG 117 Ca 0.59 1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 56.81 1x5i s ARG 117 Cb -0.70 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 1x5i s ARG 117 CO 0.60 -1.06 1.59 -1.25 0.02 0.00 0.00 175.30 175.19 1x5i s PRO 118 N -4.11 3.92 -0.06 3.54 0.04 -1.26 -3.46 135.00 133.61 1x5i s PRO 118 Ca 0.65 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 1x5i s PRO 118 Cb -0.18 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.25 1x5i s PRO 118 CO 0.40 -1.14 2.85 1.58 0.04 0.00 0.00 177.00 180.72 1x5i n HIS 119 N 7.98 0.24 -1.36 0.56 -0.00 -1.26 -4.44 115.22 116.95 1x5i n HIS 119 Ca 0.18 -1.39 -0.33 0.00 0.46 0.00 0.00 57.72 56.64 1x5i n HIS 119 Cb 0.45 -1.13 0.09 0.00 -0.12 0.00 0.00 29.99 29.27 1x5i n HIS 119 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1x5i n THR 120 N 1.84 3.55 -4.55 3.57 -2.24 -1.26 -4.96 114.28 110.23 1x5i n THR 120 Ca 0.27 -2.91 -0.26 0.00 -2.27 0.00 0.00 64.05 58.88 1x5i n THR 120 Cb 0.71 -1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1x5i n THR 120 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5i s SER 121 N -1.88 3.51 0.00 3.42 0.01 -1.26 -4.98 113.70 112.53 1x5i s SER 121 Ca 0.64 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x5i s SER 121 Cb 0.50 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1x5i s SER 121 CO 0.00 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1x5i n GLY 122 N -0.82 0.81 2.27 3.44 0.00 -1.26 -5.13 105.19 104.50 1x5i n GLY 122 Ca -0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.41 -1.33 1.61 -0.04 -1.26 -4.94 135.00 126.63 1x5i n PRO 123 Ca 0.00 -1.13 -0.34 0.00 -0.04 0.00 0.00 63.50 61.99 1x5i n PRO 123 Cb 0.00 -1.06 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1x5i n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5i n SER 124 N -4.22 7.60 -0.06 3.54 2.88 -1.26 -4.54 113.62 117.56 1x5i n SER 124 Ca 0.10 -3.73 -0.04 0.00 -1.33 0.00 0.00 58.87 53.87 1x5i n SER 124 Cb 0.38 -0.99 -0.01 0.00 -0.75 0.00 0.00 64.21 62.84 1x5i n SER 124 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1x5i h SER 125 N 2.02 0.00 -0.00 -3.46 4.64 -2.06 -3.58 113.55 111.10 1x5i h SER 125 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1x5i h SER 125 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1x5i h SER 125 CO 1.52 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 178.75