#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.54 -0.02 1.61 0.01 -1.26 -5.18 113.70 108.32 1x5i s SER 2 Ca 0.00 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 57.71 1x5i s SER 2 Cb 0.00 0.68 0.06 0.00 0.21 0.00 0.00 66.02 66.97 1x5i s SER 2 CO 0.00 -0.46 0.57 -0.44 0.41 0.00 0.00 173.24 173.32 1x5i s SER 3 N -0.80 -0.51 0.10 2.44 0.01 -1.26 -5.18 113.70 108.50 1x5i s SER 3 Ca -0.08 0.48 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 1x5i s SER 3 Cb -0.02 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.74 1x5i s SER 3 CO 0.06 -0.59 0.78 0.61 0.41 0.00 0.00 173.24 174.51 1x5i n GLY 4 N 0.91 0.70 3.24 3.44 0.00 -1.26 -5.18 105.19 107.03 1x5i n GLY 4 Ca -0.20 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1x5i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 5 N -2.81 -0.13 0.39 1.61 1.04 -1.26 -5.17 113.70 107.36 1x5i s SER 5 Ca 0.18 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1x5i s SER 5 Cb -0.02 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x5i s SER 5 CO 0.03 -0.55 0.55 -0.44 0.98 0.00 0.00 173.24 173.81 1x5i s SER 6 N -1.81 5.85 -0.20 7.02 0.01 -1.26 -5.13 113.70 118.18 1x5i s SER 6 Ca -0.08 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 1x5i s SER 6 Cb -0.02 -1.19 0.06 0.00 0.21 0.00 0.00 66.02 65.07 1x5i s SER 6 CO -0.01 -0.59 0.52 -0.83 0.41 0.00 0.00 173.24 172.74 1x5i s GLY 7 N -4.23 -0.41 0.79 3.44 0.00 -1.26 -5.16 107.32 100.49 1x5i s GLY 7 Ca 0.48 1.62 -0.11 0.00 0.00 0.00 0.00 44.72 46.72 1x5i s GLY 7 CO 0.33 1.54 1.09 2.56 0.00 0.00 0.00 173.10 178.62 1x5i s PRO 8 N 0.76 2.09 0.83 2.90 0.04 -1.26 -4.98 135.00 135.39 1x5i s PRO 8 Ca -0.04 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.96 1x5i s PRO 8 Cb -0.05 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1x5i s PRO 8 CO -0.06 -1.74 0.13 0.00 0.04 0.00 0.00 177.00 175.36 1x5i n ALA 9 N -3.59 -2.90 -3.10 8.56 0.00 -1.26 -5.00 120.51 113.22 1x5i n ALA 9 Ca 0.09 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 1x5i n ALA 9 Cb 0.53 -1.63 -0.16 0.00 0.00 0.00 0.00 19.45 18.19 1x5i n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x5i s THR 10 N -2.09 1.12 -0.11 0.00 -1.32 -1.26 -5.04 115.64 106.94 1x5i s THR 10 Ca 0.56 -0.53 -0.10 0.00 -1.21 0.00 0.00 61.69 60.42 1x5i s THR 10 Cb -0.28 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 1x5i s THR 10 CO 0.67 0.34 -0.21 0.47 -2.21 0.00 0.00 174.62 173.68 1x5i n ASP 11 N 3.38 1.43 -3.95 8.08 8.00 -1.26 -4.99 116.55 127.23 1x5i n ASP 11 Ca -0.19 0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1x5i n ASP 11 Cb 0.53 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 1x5i n ASP 11 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x5i s TRP 12 N -2.45 1.90 -0.19 1.24 0.52 -1.26 -5.09 118.94 113.61 1x5i s TRP 12 Ca -0.20 -1.10 -0.35 0.00 0.02 0.00 0.00 56.10 54.46 1x5i s TRP 12 Cb 0.05 -1.43 -0.12 0.00 -1.15 0.00 0.00 33.47 30.82 1x5i s TRP 12 CO 0.27 -0.62 1.95 1.28 0.02 0.00 0.00 176.95 179.85 1x5i n LEU 13 N 4.83 2.94 -4.38 2.99 4.32 -1.26 -4.83 117.00 121.61 1x5i n LEU 13 Ca -0.14 0.81 -0.46 0.00 -0.02 0.00 0.00 56.01 56.21 1x5i n LEU 13 Cb 0.49 -1.31 -0.02 0.00 -1.62 0.00 0.00 43.42 40.96 1x5i n LEU 13 CO 0.19 -0.32 -0.10 -0.24 -1.22 0.00 0.00 177.39 175.70 1x5i n SER 14 N 7.48 -1.57 -2.11 -1.43 2.88 -1.26 -4.82 113.62 112.80 1x5i n SER 14 Ca 0.28 1.03 -0.26 0.00 -1.33 0.00 0.00 58.87 58.60 1x5i n SER 14 Cb 0.26 -0.96 0.06 0.00 -0.75 0.00 0.00 64.21 62.82 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5i n ALA 15 N -0.32 5.72 -1.39 -1.46 0.00 -1.26 -4.97 120.51 116.83 1x5i n ALA 15 Ca 0.15 -2.55 -0.50 0.00 0.00 0.00 0.00 53.44 50.55 1x5i n ALA 15 Cb 0.30 -1.57 -0.13 0.00 0.00 0.00 0.00 19.45 18.06 1x5i n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x5i n GLU 16 N -0.28 0.11 -1.68 0.00 2.13 -1.26 -4.77 120.64 114.89 1x5i n GLU 16 Ca 0.46 0.02 -0.43 0.00 0.66 0.00 0.00 57.16 57.87 1x5i n GLU 16 Cb 0.62 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 1x5i n GLU 16 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5i n THR 17 N 7.07 0.55 -3.14 6.31 -2.24 -1.26 -4.94 114.28 116.62 1x5i n THR 17 Ca 0.59 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.85 1x5i n THR 17 Cb 0.03 -2.14 -0.07 0.00 -2.10 0.00 0.00 70.33 66.05 1x5i n THR 17 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x5i s PHE 18 N 3.55 3.13 0.60 4.78 5.36 -1.26 -5.05 117.98 129.09 1x5i s PHE 18 Ca 0.86 0.15 -0.19 0.00 -0.96 0.00 0.00 56.93 56.80 1x5i s PHE 18 Cb -0.50 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 1x5i s PHE 18 CO 0.41 -0.70 1.23 -1.21 -1.46 0.00 0.00 175.22 173.50 1x5i s GLU 19 N 2.67 2.88 -0.31 10.12 2.02 -1.26 -4.90 118.70 129.93 1x5i s GLU 19 Ca 0.22 1.90 -0.02 0.00 0.02 0.00 0.00 54.97 57.08 1x5i s GLU 19 Cb -0.15 -1.92 0.10 0.00 0.10 0.00 0.00 34.13 32.26 1x5i s GLU 19 CO 0.16 -1.29 2.43 0.45 0.02 0.00 0.00 175.26 177.02 1x5i n SER 20 N -1.64 6.26 -1.77 -0.19 2.88 -1.26 -4.37 113.62 113.54 1x5i n SER 20 Ca 0.14 -3.00 -0.18 0.00 -1.33 0.00 0.00 58.87 54.50 1x5i n SER 20 Cb 0.49 -1.16 0.14 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.83 4.26 -4.85 -3.46 9.92 -1.26 -5.00 116.55 116.98 1x5i n ASP 21 Ca 0.35 -3.76 -0.21 0.00 -0.53 0.00 0.00 54.79 50.64 1x5i n ASP 21 Cb 0.60 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 40.35 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x5i s LEU 22 N -3.45 3.54 -0.19 0.64 2.01 -1.26 -5.06 118.68 114.90 1x5i s LEU 22 Ca 0.52 -0.56 -0.29 0.00 0.01 0.00 0.00 54.13 53.81 1x5i s LEU 22 Cb 0.44 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 44.46 1x5i s LEU 22 CO 0.02 -0.42 1.61 -1.81 1.01 0.00 0.00 176.35 176.76 1x5i s ASP 23 N -4.02 6.45 -0.25 2.29 1.01 -1.14 -4.88 116.67 116.14 1x5i s ASP 23 Ca 0.42 1.72 0.12 0.00 0.71 0.00 0.00 52.55 55.52 1x5i s ASP 23 Cb -0.05 -2.53 0.46 0.00 1.01 0.00 0.00 42.92 41.81 1x5i s ASP 23 CO 0.27 -1.18 1.18 1.21 0.21 0.00 0.00 175.17 176.85 1x5i n GLU 24 N 7.53 2.64 -0.00 8.23 2.13 -1.26 -1.83 120.64 138.08 1x5i n GLU 24 Ca 0.18 -3.74 0.01 0.00 0.66 0.00 0.00 57.16 54.27 1x5i n GLU 24 Cb 0.45 -1.88 -0.01 0.00 0.27 0.00 0.00 31.44 30.26 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 -0.69 0.00 -4.25 6.31 5.66 -1.26 -4.61 114.28 115.43 1x5i n THR 25 Ca 0.30 -0.41 -0.21 0.00 -3.05 0.00 0.00 64.05 60.68 1x5i n THR 25 Cb 0.90 0.96 -0.12 0.00 -1.55 0.00 0.00 70.33 70.52 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 -1.30 1.05 0.24 1.09 1.70 -1.26 -5.00 118.95 115.46 1x5i s ARG 26 Ca 0.01 -1.17 -0.17 0.00 -0.47 0.00 0.00 55.73 53.93 1x5i s ARG 26 Cb 0.02 -1.12 -0.08 0.00 -0.57 0.00 0.00 34.95 33.20 1x5i s ARG 26 CO 0.10 0.24 0.69 0.14 -1.08 0.00 0.00 175.30 175.40 1x5i s VAL 27 N -1.57 4.67 -0.42 4.99 -7.23 -1.26 -4.78 120.40 114.80 1x5i s VAL 27 Ca 0.06 1.07 -0.28 0.00 -1.81 0.00 0.00 61.98 61.02 1x5i s VAL 27 Cb -0.08 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1x5i s VAL 27 CO 0.04 0.09 1.75 -2.16 -0.31 0.00 0.00 175.10 174.50 1x5i s PRO 28 N -2.30 3.20 1.10 4.82 0.04 -1.26 -4.92 135.00 135.68 1x5i s PRO 28 Ca 0.45 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1x5i s PRO 28 Cb -0.14 -4.22 0.25 0.00 0.04 0.00 0.00 34.50 30.43 1x5i s PRO 28 CO 0.20 -2.03 1.05 -1.83 0.04 0.00 0.00 177.00 174.43 1x5i s GLU 29 N 5.88 -0.43 0.09 4.56 4.04 -1.26 -4.13 118.70 127.45 1x5i s GLU 29 Ca 0.73 0.87 -0.24 0.00 0.04 0.00 0.00 54.97 56.37 1x5i s GLU 29 Cb -0.18 -1.61 -0.13 0.00 0.02 0.00 0.00 34.13 32.22 1x5i s GLU 29 CO 0.30 -3.41 0.54 1.55 -1.84 0.00 0.00 175.26 172.41 1x5i n VAL 30 N -4.70 0.91 -1.01 1.83 3.14 -1.26 -4.78 118.33 112.47 1x5i n VAL 30 Ca 0.04 -0.23 -0.28 0.00 -2.96 0.00 0.00 64.34 60.92 1x5i n VAL 30 Cb 0.54 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.56 1x5i n VAL 30 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1x5i n PRO 31 N 0.89 -3.03 -0.20 1.45 -0.04 -1.26 -4.83 135.00 127.96 1x5i n PRO 31 Ca 0.14 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 61.89 1x5i n PRO 31 Cb 0.14 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.09 1x5i n PRO 31 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x5i h SER 32 N -2.63 0.72 -1.93 3.54 4.64 -1.71 -3.47 113.55 112.71 1x5i h SER 32 Ca -0.39 -0.09 0.26 0.00 -0.47 0.00 0.00 61.79 61.10 1x5i h SER 32 Cb 1.18 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 1x5i h SER 32 CO 0.25 0.61 0.71 -1.20 -0.87 0.00 0.00 176.83 176.33 1x5i n SER 33 N -4.59 -1.12 -3.58 4.97 7.64 -1.26 -5.07 113.62 110.60 1x5i n SER 33 Ca 0.04 -1.34 -0.14 0.00 1.01 0.00 0.00 58.87 58.44 1x5i n SER 33 Cb 0.08 1.77 -0.12 0.00 -1.01 0.00 0.00 64.21 64.93 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x5i s LEU 34 N 0.00 -0.33 -0.12 -3.43 2.96 -1.26 -3.61 118.68 112.90 1x5i s LEU 34 Ca 0.24 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1x5i s LEU 34 Cb -0.01 0.73 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 1x5i s LEU 34 CO 0.01 -0.27 0.02 -2.28 -1.32 0.00 0.00 176.35 172.51 1x5i s HIS 35 N 2.43 3.21 -0.04 5.38 5.65 0.54 -4.95 115.29 127.51 1x5i s HIS 35 Ca 0.04 0.16 0.01 0.00 0.25 0.00 0.00 55.06 55.52 1x5i s HIS 35 Cb -0.13 -1.88 0.02 0.00 -1.18 0.00 0.00 32.58 29.41 1x5i s HIS 35 CO -0.11 0.39 -0.04 0.14 -0.65 0.00 0.00 174.74 174.47 1x5i s VAL 36 N -0.53 0.47 -0.32 0.89 -7.23 -1.26 -0.21 120.40 112.21 1x5i s VAL 36 Ca 0.10 -0.09 -0.05 0.00 -1.81 0.00 0.00 61.98 60.13 1x5i s VAL 36 Cb -0.12 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.35 1x5i s VAL 36 CO 0.02 0.21 0.07 -0.60 -0.31 0.00 0.00 175.10 174.49 1x5i s ARG 37 N 0.91 2.61 -0.05 4.82 3.52 -0.01 -4.87 118.95 125.89 1x5i s ARG 37 Ca -0.11 -1.17 -0.30 0.00 -0.13 0.00 0.00 55.73 54.02 1x5i s ARG 37 Cb -0.14 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1x5i s ARG 37 CO -0.00 -0.63 1.48 -1.25 -0.81 0.00 0.00 175.30 174.10 1x5i s PRO 38 N 1.37 4.23 0.18 5.12 0.04 -1.26 -1.07 135.00 143.60 1x5i s PRO 38 Ca -0.02 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.13 1x5i s PRO 38 Cb -0.19 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1x5i s PRO 38 CO 0.02 -0.71 -0.14 -0.51 0.04 0.00 0.00 177.00 175.70 1x5i s LEU 39 N 3.22 2.83 0.00 -3.56 1.02 0.11 -4.43 118.68 117.86 1x5i s LEU 39 Ca 0.66 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.16 1x5i s LEU 39 Cb -0.31 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.37 1x5i s LEU 39 CO 0.26 0.11 0.49 0.52 0.02 0.00 0.00 176.35 177.75 1x5i n VAL 40 N 0.13 0.00 -1.25 -1.59 0.31 -1.26 -2.20 118.33 112.47 1x5i n VAL 40 Ca -0.11 0.81 0.02 0.00 -0.01 0.00 0.00 64.34 65.05 1x5i n VAL 40 Cb 0.55 -1.14 0.22 0.00 -0.91 0.00 0.00 33.84 32.56 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 -1.73 2.38 -3.93 2.52 -2.24 -1.26 -3.99 114.28 106.03 1x5i n THR 41 Ca 0.00 -2.39 -0.12 0.00 -2.27 0.00 0.00 64.05 59.28 1x5i n THR 41 Cb 0.00 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.93 -1.34 -3.15 3.42 3.41 -0.93 -3.47 113.62 110.63 1x5i n SER 42 Ca 0.27 -2.60 0.04 0.00 -0.26 0.00 0.00 58.87 56.32 1x5i n SER 42 Cb 0.94 2.43 -0.01 0.00 -0.26 0.00 0.00 64.21 67.31 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 -2.66 -0.97 -0.68 -1.33 1.01 -0.50 0.06 121.20 116.13 1x5i s ILE 43 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 1x5i s ILE 43 Cb -0.02 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1x5i s ILE 43 CO 0.17 0.00 1.49 -0.69 0.00 0.00 0.00 174.94 175.90 1x5i s VAL 44 N 2.85 3.60 -0.61 2.92 1.01 -0.24 -2.03 120.40 127.90 1x5i s VAL 44 Ca 0.17 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 1x5i s VAL 44 Cb -0.13 -4.55 0.09 0.00 0.00 0.00 0.00 36.38 31.79 1x5i s VAL 44 CO -0.22 -1.49 0.80 -0.69 0.00 0.00 0.00 175.10 173.50 1x5i s VAL 45 N 6.89 4.64 -0.21 2.92 1.01 0.28 -0.83 120.40 135.09 1x5i s VAL 45 Ca 0.47 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1x5i s VAL 45 Cb -0.10 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1x5i s VAL 45 CO 0.18 -1.23 0.05 -0.55 0.00 0.00 0.00 175.10 173.54 1x5i s SER 46 N 3.59 5.18 0.45 3.32 0.15 0.71 0.15 113.70 127.25 1x5i s SER 46 Ca 0.16 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x5i s SER 46 Cb -0.21 -1.90 -0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1x5i s SER 46 CO 0.08 0.06 0.01 -2.67 1.20 0.00 0.00 173.24 171.92 1x5i n TRP 47 N 4.32 0.98 -3.92 3.44 2.14 0.32 -0.34 117.44 124.39 1x5i n TRP 47 Ca -0.16 -2.24 -0.10 0.00 2.07 0.00 0.00 57.50 57.07 1x5i n TRP 47 Cb 0.52 -0.28 -0.09 0.00 -0.81 0.00 0.00 31.31 30.65 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 -2.65 0.12 0.73 -1.67 -4.23 -1.24 -4.73 115.64 101.98 1x5i s THR 48 Ca 0.01 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1x5i s THR 48 Cb 0.00 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1x5i s THR 48 CO 0.01 -0.56 1.10 -2.16 -0.54 0.00 0.00 174.62 172.47 1x5i s PRO 49 N -2.33 2.46 0.41 3.99 0.04 -1.26 -4.11 135.00 134.20 1x5i s PRO 49 Ca -0.07 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 1x5i s PRO 49 Cb -0.03 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1x5i s PRO 49 CO -0.03 -1.50 1.19 -1.25 0.04 0.00 0.00 177.00 175.45 1x5i s PRO 50 N -4.61 4.01 0.35 0.56 0.04 -1.26 -3.61 135.00 130.49 1x5i s PRO 50 Ca 0.63 1.88 0.17 0.00 0.04 0.00 0.00 61.00 63.72 1x5i s PRO 50 Cb -0.18 -2.66 1.21 0.00 0.04 0.00 0.00 34.50 32.90 1x5i s PRO 50 CO 0.51 -0.37 1.60 0.93 0.04 0.00 0.00 177.00 179.71 1x5i h GLU 51 N 2.58 0.09 -6.18 4.56 5.08 -1.91 -3.31 114.58 115.49 1x5i h GLU 51 Ca -0.49 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.34 1x5i h GLU 51 Cb 1.24 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1x5i h GLU 51 CO 0.62 0.06 1.20 1.21 -1.00 0.00 0.00 179.01 181.10 1x5i s ASN 52 N -4.68 5.75 -0.15 1.42 3.84 -1.26 -4.83 114.94 115.02 1x5i s ASN 52 Ca -0.10 -0.08 0.04 0.00 0.21 0.00 0.00 52.86 52.93 1x5i s ASN 52 Cb 0.32 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.79 1x5i s ASN 52 CO 0.78 -2.09 1.21 0.00 -2.79 0.00 0.00 177.10 174.22 1x5i n GLN 53 N 9.29 2.04 -0.01 0.43 1.13 -1.25 -3.60 117.38 125.41 1x5i n GLN 53 Ca 0.11 -1.28 0.03 0.00 -1.94 0.00 0.00 57.00 53.92 1x5i n GLN 53 Cb 0.50 -1.65 -0.08 0.00 0.11 0.00 0.00 30.24 29.12 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 0.02 2.54 -4.69 1.08 5.03 -1.26 -4.97 115.26 113.01 1x5i n ASN 54 Ca 0.19 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 1x5i n ASN 54 Cb 0.83 1.34 -0.03 0.00 -1.02 0.00 0.00 39.78 40.90 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 -2.64 4.38 -0.23 2.41 1.01 -1.24 -2.87 121.20 122.02 1x5i s ILE 55 Ca -0.04 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 1x5i s ILE 55 Cb 0.06 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1x5i s ILE 55 CO 0.44 0.02 1.84 -0.69 0.00 0.00 0.00 174.94 176.55 1x5i s VAL 56 N 2.01 3.41 -0.24 2.92 1.01 -0.76 -4.97 120.40 123.78 1x5i s VAL 56 Ca 0.54 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.93 1x5i s VAL 56 Cb -0.23 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1x5i s VAL 56 CO 0.22 -0.25 -0.03 -0.69 0.00 0.00 0.00 175.10 174.35 1x5i s VAL 57 N 6.36 3.30 -0.18 2.92 1.01 -1.26 -4.65 120.40 127.90 1x5i s VAL 57 Ca 0.82 -0.67 0.17 0.00 0.00 0.00 0.00 61.98 62.30 1x5i s VAL 57 Cb -0.27 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1x5i s VAL 57 CO 0.33 0.32 1.26 0.03 0.00 0.00 0.00 175.10 177.04 1x5i h ARG 58 N 8.10 0.00 0.00 2.72 2.47 -1.85 -3.44 114.38 122.38 1x5i h ARG 58 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1x5i h ARG 58 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1x5i h ARG 58 CO 0.60 0.37 0.00 0.41 0.56 0.00 0.00 179.97 181.90 1x5i n GLY 59 N 1.26 -1.47 3.22 0.04 0.00 -1.22 -2.84 105.19 104.17 1x5i n GLY 59 Ca -0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.89 1.19 -0.29 1.61 1.51 -1.16 -1.80 117.35 115.51 1x5i s TYR 60 Ca 0.00 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.36 1x5i s TYR 60 Cb 0.00 -0.62 0.07 0.00 -0.11 0.00 0.00 41.96 41.30 1x5i s TYR 60 CO 0.00 0.05 -0.04 0.00 -1.11 0.00 0.00 175.55 174.45 1x5i s ALA 61 N -2.94 2.72 0.36 3.71 0.00 -0.51 -2.72 121.76 122.39 1x5i s ALA 61 Ca 0.12 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.05 1x5i s ALA 61 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1x5i s ALA 61 CO 0.00 -1.35 0.67 0.42 0.00 0.00 0.00 175.76 175.50 1x5i s ILE 62 N 1.10 4.92 -0.08 0.00 1.01 0.27 -2.86 121.20 125.55 1x5i s ILE 62 Ca -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 1x5i s ILE 62 Cb -0.20 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.53 1x5i s ILE 62 CO -0.05 -0.49 0.21 -0.83 0.00 0.00 0.00 174.94 173.79 1x5i s GLY 63 N -3.36 -0.16 0.04 6.18 0.00 -0.39 -0.42 107.32 109.22 1x5i s GLY 63 Ca 0.47 0.61 -0.00 0.00 0.00 0.00 0.00 44.72 45.80 1x5i s GLY 63 CO 0.33 0.53 -0.04 -2.52 0.00 0.00 0.00 173.10 171.40 1x5i s TYR 64 N 0.13 0.44 0.00 1.90 1.13 -0.98 -1.04 117.35 118.93 1x5i s TYR 64 Ca -0.00 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 1x5i s TYR 64 Cb -0.02 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.53 1x5i s TYR 64 CO 0.00 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.19 1x5i n GLY 65 N 0.85 2.51 3.55 5.49 0.00 -1.22 -2.20 105.19 114.17 1x5i n GLY 65 Ca -0.19 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 3.94 0.00 -0.61 -1.09 -1.26 -2.35 121.20 117.83 1x5i s ILE 66 Ca 0.00 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1x5i s ILE 66 Cb 0.00 -4.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1x5i s ILE 66 CO 0.00 -1.59 0.00 0.61 -1.23 0.00 0.00 174.94 172.73 1x5i n GLY 67 N 5.25 3.10 3.17 6.18 0.00 -1.26 -4.98 105.19 116.64 1x5i n GLY 67 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5i s SER 68 N 0.00 -0.31 0.30 1.61 0.15 -1.25 -4.98 113.70 109.22 1x5i s SER 68 Ca 0.00 0.60 0.25 0.00 0.70 0.00 0.00 55.95 57.50 1x5i s SER 68 Cb 0.00 0.58 1.04 0.00 -1.71 0.00 0.00 66.02 65.94 1x5i s SER 68 CO 0.00 -0.12 1.75 1.55 1.20 0.00 0.00 173.24 177.63 1x5i h PRO 69 N 5.98 0.00 0.00 5.44 0.13 -1.80 -3.03 132.00 138.72 1x5i h PRO 69 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1x5i h PRO 69 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x5i h PRO 69 CO 0.33 0.00 0.21 1.12 -0.23 0.00 0.00 178.00 179.43 1x5i h HIS 70 N 0.00 0.00 -0.10 1.56 2.07 -1.93 -2.91 115.15 113.84 1x5i h HIS 70 Ca 0.00 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1x5i h HIS 70 Cb 0.38 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.32 1x5i h HIS 70 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 1x5i h ALA 71 N 1.57 -0.66 -2.94 6.11 0.00 -1.67 -3.44 119.26 118.24 1x5i h ALA 71 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1x5i h ALA 71 Cb 0.42 0.83 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 1x5i h ALA 71 CO 0.00 -0.77 -0.74 -0.65 0.00 0.00 0.00 179.25 177.09 1x5i s GLN 72 N -4.43 0.80 -0.02 0.00 -1.52 -0.94 -5.03 119.66 108.52 1x5i s GLN 72 Ca -0.08 -1.06 0.00 0.00 -1.95 0.00 0.00 55.36 52.27 1x5i s GLN 72 Cb 0.04 -0.56 0.03 0.00 -0.22 0.00 0.00 33.01 32.30 1x5i s GLN 72 CO 0.32 0.10 0.03 0.99 -0.25 0.00 0.00 175.29 176.48 1x5i s THR 73 N -2.04 -0.04 -0.14 -0.19 2.01 -1.26 -2.31 115.64 111.67 1x5i s THR 73 Ca 0.02 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1x5i s THR 73 Cb -0.05 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1x5i s THR 73 CO 0.01 0.10 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.20 1x5i s ILE 74 N 1.09 1.91 -0.14 1.82 1.01 0.44 -4.96 121.20 122.38 1x5i s ILE 74 Ca -0.09 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1x5i s ILE 74 Cb -0.13 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1x5i s ILE 74 CO -0.03 0.52 -0.09 -0.54 0.00 0.00 0.00 174.94 174.80 1x5i s LYS 75 N 0.92 3.49 0.31 2.79 1.02 -1.26 -0.57 119.74 126.44 1x5i s LYS 75 Ca -0.05 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.34 1x5i s LYS 75 Cb -0.15 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1x5i s LYS 75 CO -0.03 0.20 0.12 0.14 -0.92 0.00 0.00 175.35 174.85 1x5i s VAL 76 N 0.42 0.61 1.26 3.17 -7.23 -1.10 -5.03 120.40 112.50 1x5i s VAL 76 Ca -0.07 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.91 1x5i s VAL 76 Cb -0.15 -2.57 0.31 0.00 0.56 0.00 0.00 36.38 34.52 1x5i s VAL 76 CO 0.04 0.00 1.03 1.51 -0.31 0.00 0.00 175.10 177.37 1x5i s ASP 77 N -3.42 0.32 0.06 4.85 1.47 -1.26 -3.00 116.67 115.69 1x5i s ASP 77 Ca 0.34 0.91 -0.14 0.00 1.18 0.00 0.00 52.55 54.84 1x5i s ASP 77 Cb 0.06 -1.34 -0.27 0.00 -0.34 0.00 0.00 42.92 41.03 1x5i s ASP 77 CO 0.15 -4.52 1.13 0.10 0.68 0.00 0.00 175.17 172.71 1x5i h TYR 78 N -2.85 1.02 -1.16 2.11 -0.00 -1.81 -3.26 116.97 111.02 1x5i h TYR 78 Ca -0.48 -0.62 0.36 0.00 0.00 0.00 0.00 58.73 57.99 1x5i h TYR 78 Cb 1.32 -0.09 -0.13 0.00 0.00 0.00 0.00 36.73 37.84 1x5i h TYR 78 CO -1.90 1.46 0.73 0.87 -0.00 0.00 0.00 178.16 179.31 1x5i h LYS 79 N 0.31 0.21 -6.40 0.10 1.57 -1.93 -3.38 116.57 107.04 1x5i h LYS 79 Ca -0.17 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.05 1x5i h LYS 79 Cb 1.86 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.13 1x5i h LYS 79 CO 0.23 0.14 0.91 -0.65 -0.57 0.00 0.00 179.45 179.51 1x5i s GLN 80 N -5.44 4.24 -0.00 3.15 -1.52 -1.23 -4.88 119.66 113.98 1x5i s GLN 80 Ca -0.08 2.12 0.16 0.00 -1.95 0.00 0.00 55.36 55.61 1x5i s GLN 80 Cb 0.29 -3.59 -0.19 0.00 -0.22 0.00 0.00 33.01 29.30 1x5i s GLN 80 CO 0.81 -0.65 0.63 2.89 -0.25 0.00 0.00 175.29 178.71 1x5i n ARG 81 N 5.50 1.51 -3.56 2.91 1.85 -1.26 -4.96 116.66 118.64 1x5i n ARG 81 Ca 0.14 -0.03 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 1x5i n ARG 81 Cb 0.42 -1.28 -0.04 0.00 -1.05 0.00 0.00 32.46 30.51 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1x5i s TYR 82 N -2.62 -0.34 -0.03 2.89 1.13 -1.26 -0.52 117.35 116.61 1x5i s TYR 82 Ca 0.04 0.13 -0.00 0.00 -1.41 0.00 0.00 57.07 55.82 1x5i s TYR 82 Cb 0.12 0.35 0.03 0.00 -1.10 0.00 0.00 41.96 41.36 1x5i s TYR 82 CO 0.66 -0.73 0.02 -0.47 -2.51 0.00 0.00 175.55 172.52 1x5i s TYR 83 N -3.50 0.18 -0.58 -3.49 5.04 0.12 -4.96 117.35 110.16 1x5i s TYR 83 Ca 0.01 0.07 -0.19 0.00 -2.44 0.00 0.00 57.07 54.52 1x5i s TYR 83 Cb 0.01 -0.35 0.09 0.00 0.35 0.00 0.00 41.96 42.06 1x5i s TYR 83 CO -0.10 -0.12 0.71 0.99 -1.34 0.00 0.00 175.55 175.68 1x5i s THR 84 N 1.17 4.80 0.03 4.34 2.01 -1.26 -0.56 115.64 126.17 1x5i s THR 84 Ca -0.08 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1x5i s THR 84 Cb -0.13 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1x5i s THR 84 CO -0.02 -1.10 1.00 -0.63 -0.69 0.00 0.00 174.62 173.18 1x5i s ILE 85 N 2.76 4.70 0.39 1.82 1.01 -0.86 -4.89 121.20 126.13 1x5i s ILE 85 Ca 0.13 1.99 0.05 0.00 0.00 0.00 0.00 60.65 62.81 1x5i s ILE 85 Cb -0.23 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 1x5i s ILE 85 CO 0.07 0.18 0.04 -1.61 0.00 0.00 0.00 174.94 173.63 1x5i s GLU 86 N 0.81 1.87 -0.60 2.79 2.02 -1.26 -1.41 118.70 122.92 1x5i s GLU 86 Ca 0.52 -2.08 -0.01 0.00 0.02 0.00 0.00 54.97 53.42 1x5i s GLU 86 Cb -0.22 -1.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.79 1x5i s GLU 86 CO 0.29 -0.19 0.50 0.09 0.02 0.00 0.00 175.26 175.97 1x5i n ASN 87 N -0.93 -2.41 -4.69 -0.19 3.02 -1.23 -5.01 115.26 103.81 1x5i n ASN 87 Ca -0.06 -0.32 -0.31 0.00 -0.03 0.00 0.00 54.58 53.86 1x5i n ASN 87 Cb 0.67 -2.87 -0.09 0.00 -0.61 0.00 0.00 39.78 36.88 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 -4.22 2.48 -0.25 3.41 1.43 -1.25 -5.10 118.68 115.18 1x5i s LEU 88 Ca 0.04 -1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 51.48 1x5i s LEU 88 Cb -0.01 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 1x5i s LEU 88 CO 0.37 -0.72 0.16 -1.81 0.23 0.00 0.00 176.35 174.59 1x5i s ASP 89 N -3.81 5.94 0.66 2.29 1.01 -1.26 -4.85 116.67 116.66 1x5i s ASP 89 Ca 0.16 0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.30 1x5i s ASP 89 Cb 0.05 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1x5i s ASP 89 CO 0.08 0.01 1.11 -2.16 0.21 0.00 0.00 175.17 174.43 1x5i s PRO 90 N 1.37 2.78 -1.14 8.23 0.04 -1.26 -3.96 135.00 141.07 1x5i s PRO 90 Ca 0.07 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1x5i s PRO 90 Cb -0.15 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1x5i s PRO 90 CO 0.07 -1.26 0.96 0.45 0.04 0.00 0.00 177.00 177.26 1x5i n SER 91 N -2.46 -2.83 -3.69 6.66 2.88 -0.95 -4.83 113.62 108.40 1x5i n SER 91 Ca 0.10 -0.62 -0.14 0.00 -1.33 0.00 0.00 58.87 56.88 1x5i n SER 91 Cb 0.52 -5.03 -0.08 0.00 -0.75 0.00 0.00 64.21 58.87 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 -4.16 -0.45 0.01 -3.46 0.01 -1.24 -4.98 113.70 99.42 1x5i s SER 92 Ca 0.08 0.69 -0.29 0.00 1.31 0.00 0.00 55.95 57.75 1x5i s SER 92 Cb -0.01 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 1x5i s SER 92 CO 0.71 -0.33 0.92 -2.28 0.41 0.00 0.00 173.24 172.67 1x5i s HIS 93 N -0.45 3.68 -0.07 2.43 5.65 -1.26 -1.97 115.29 123.29 1x5i s HIS 93 Ca -0.06 1.63 0.03 0.00 0.25 0.00 0.00 55.06 56.91 1x5i s HIS 93 Cb -0.03 -3.04 0.01 0.00 -1.18 0.00 0.00 32.58 28.34 1x5i s HIS 93 CO 0.03 0.06 -0.16 0.71 -0.65 0.00 0.00 174.74 174.74 1x5i s TYR 94 N 0.74 1.75 -0.41 3.88 2.02 -0.90 -4.63 117.35 119.81 1x5i s TYR 94 Ca 0.48 -0.65 -0.19 0.00 -0.37 0.00 0.00 57.07 56.35 1x5i s TYR 94 Cb -0.21 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1x5i s TYR 94 CO 0.26 -0.29 0.53 0.08 -1.57 0.00 0.00 175.55 174.56 1x5i s VAL 95 N 0.48 4.97 -0.06 0.71 1.01 -0.99 -2.61 120.40 123.91 1x5i s VAL 95 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1x5i s VAL 95 Cb -0.16 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1x5i s VAL 95 CO 0.05 -0.43 0.18 -0.63 0.00 0.00 0.00 175.10 174.27 1x5i s ILE 96 N 2.45 5.44 0.04 2.22 1.09 -1.20 -3.45 121.20 127.80 1x5i s ILE 96 Ca 0.18 0.12 0.01 0.00 -1.10 0.00 0.00 60.65 59.86 1x5i s ILE 96 Cb -0.16 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 1x5i s ILE 96 CO 0.15 0.49 -0.05 0.42 -0.10 0.00 0.00 174.94 175.86 1x5i s THR 97 N -1.16 0.33 -0.05 2.92 -4.23 -0.21 -0.65 115.64 112.60 1x5i s THR 97 Ca 0.21 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1x5i s THR 97 Cb -0.13 -0.75 0.02 0.00 1.34 0.00 0.00 72.50 72.98 1x5i s THR 97 CO 0.11 -0.59 0.12 -0.22 -0.54 0.00 0.00 174.62 173.49 1x5i s LEU 98 N -1.93 1.34 -0.01 4.79 2.96 -1.24 -1.26 118.68 123.33 1x5i s LEU 98 Ca -0.07 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1x5i s LEU 98 Cb -0.05 0.37 0.00 0.00 0.50 0.00 0.00 46.19 47.01 1x5i s LEU 98 CO -0.03 -0.07 0.02 -1.59 -1.32 0.00 0.00 176.35 173.36 1x5i s LYS 99 N 0.37 0.02 0.07 1.98 -2.85 -1.14 -0.91 119.74 117.29 1x5i s LYS 99 Ca -0.03 0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 54.73 1x5i s LYS 99 Cb -0.04 0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.68 1x5i s LYS 99 CO -0.01 -0.00 0.73 0.00 0.10 0.00 0.00 175.35 176.16 1x5i s ALA 100 N -0.00 3.43 0.22 0.59 0.00 -1.26 -1.42 121.76 123.32 1x5i s ALA 100 Ca -0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1x5i s ALA 100 Cb -0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1x5i s ALA 100 CO 0.00 0.17 0.05 -0.59 0.00 0.00 0.00 175.76 175.39 1x5i s PHE 101 N -0.47 1.42 0.12 0.00 -0.12 -0.75 -0.36 117.98 117.82 1x5i s PHE 101 Ca 0.36 -1.09 -0.25 0.00 -0.05 0.00 0.00 56.93 55.91 1x5i s PHE 101 Cb -0.21 -0.82 0.08 0.00 -0.63 0.00 0.00 43.02 41.44 1x5i s PHE 101 CO 0.23 -0.25 1.11 0.54 -0.05 0.00 0.00 175.22 176.80 1x5i s ASN 102 N -3.26 -0.02 0.58 1.98 4.22 0.13 -2.49 114.94 116.08 1x5i s ASN 102 Ca 0.31 -0.49 0.30 0.00 -2.14 0.00 0.00 52.86 50.84 1x5i s ASN 102 Cb 0.07 0.39 1.42 0.00 1.28 0.00 0.00 41.25 44.41 1x5i s ASN 102 CO 0.09 -0.76 1.80 -1.13 -2.04 0.00 0.00 177.10 175.07 1x5i h ASN 103 N 2.00 0.00 -0.00 3.54 -1.24 -1.94 0.17 115.58 118.10 1x5i h ASN 103 Ca -0.26 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.58 1x5i h ASN 103 Cb 1.21 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.27 1x5i h ASN 103 CO 0.33 0.00 -0.64 0.58 -1.29 0.00 0.00 177.43 176.41 1x5i h VAL 104 N 0.00 1.41 0.00 2.57 2.07 -1.86 -3.50 116.25 116.94 1x5i h VAL 104 Ca 0.33 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1x5i h VAL 104 Cb 1.64 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1x5i h VAL 104 CO -0.00 0.61 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1x5i n GLY 105 N 1.07 -0.50 3.61 2.17 0.00 0.58 -4.90 105.19 107.23 1x5i n GLY 105 Ca -0.10 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.91 2.18 0.00 1.61 2.02 -1.26 0.17 118.70 121.51 1x5i s GLU 106 Ca 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.56 1x5i s GLU 106 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1x5i s GLU 106 CO 0.00 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1x5i n GLY 107 N -0.70 2.99 3.56 -1.39 0.00 0.51 -4.85 105.19 105.32 1x5i n GLY 107 Ca -0.07 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 3.46 4.79 0.86 -0.61 -0.00 -1.26 -4.86 121.20 123.58 1x5i s ILE 108 Ca 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.65 60.52 1x5i s ILE 108 Cb 0.00 -3.22 0.11 0.00 -0.00 0.00 0.00 42.46 39.35 1x5i s ILE 108 CO 0.00 0.36 1.09 -2.16 -0.00 0.00 0.00 174.94 174.24 1x5i s PRO 109 N 1.15 1.53 0.32 0.37 0.04 -1.26 -4.16 135.00 133.00 1x5i s PRO 109 Ca 0.05 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.09 1x5i s PRO 109 Cb -0.14 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1x5i s PRO 109 CO 0.04 -2.08 0.11 -0.51 0.04 0.00 0.00 177.00 174.61 1x5i s LEU 110 N -6.14 3.27 -0.29 -3.56 1.43 -0.09 -4.89 118.68 108.42 1x5i s LEU 110 Ca 0.63 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1x5i s LEU 110 Cb -0.18 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.35 1x5i s LEU 110 CO 0.57 -0.22 -0.05 -0.31 0.23 0.00 0.00 176.35 176.57 1x5i s TYR 111 N -2.39 3.35 0.48 0.29 1.51 -1.26 -3.66 117.35 115.68 1x5i s TYR 111 Ca 0.36 -2.33 0.05 0.00 -1.01 0.00 0.00 57.07 54.13 1x5i s TYR 111 Cb -0.04 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1x5i s TYR 111 CO 0.22 -0.88 0.18 -2.00 -1.11 0.00 0.00 175.55 171.97 1x5i s GLU 112 N 1.11 2.21 0.02 -0.62 2.56 0.17 -5.03 118.70 119.13 1x5i s GLU 112 Ca -0.05 -2.09 0.01 0.00 0.00 0.00 0.00 54.97 52.83 1x5i s GLU 112 Cb -0.20 -1.85 -0.02 0.00 2.00 0.00 0.00 34.13 34.06 1x5i s GLU 112 CO -0.05 -0.35 -0.04 -1.54 -0.56 0.00 0.00 175.26 172.73 1x5i s SER 113 N -4.00 0.37 -0.30 -1.70 1.04 -1.26 -3.21 113.70 104.63 1x5i s SER 113 Ca 0.27 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 1x5i s SER 113 Cb 0.02 0.07 0.18 0.00 0.10 0.00 0.00 66.02 66.39 1x5i s SER 113 CO 0.16 -0.24 0.76 0.00 0.98 0.00 0.00 173.24 174.90 1x5i s ALA 114 N -1.26 -2.63 -0.49 5.32 0.00 -1.07 -4.79 121.76 116.83 1x5i s ALA 114 Ca -0.13 1.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 1x5i s ALA 114 Cb -0.09 -2.24 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1x5i s ALA 114 CO -0.01 -1.32 0.63 0.08 0.00 0.00 0.00 175.76 175.14 1x5i s VAL 115 N 2.87 4.86 0.26 0.00 1.01 -1.26 -2.11 120.40 126.02 1x5i s VAL 115 Ca 0.11 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1x5i s VAL 115 Cb -0.13 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.84 1x5i s VAL 115 CO -0.18 -0.76 1.28 0.35 0.00 0.00 0.00 175.10 175.80 1x5i n THR 116 N 5.67 1.31 -2.09 3.92 -2.24 -0.83 -4.75 114.28 115.27 1x5i n THR 116 Ca -0.05 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1x5i n THR 116 Cb 0.46 -1.31 0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.87 3.22 0.09 -0.78 0.52 -1.25 -2.24 118.95 117.64 1x5i s ARG 117 Ca 0.65 1.81 -0.31 0.00 -0.52 0.00 0.00 55.73 57.36 1x5i s ARG 117 Cb -0.68 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 32.65 1x5i s ARG 117 CO 0.54 -1.01 1.38 -1.25 0.02 0.00 0.00 175.30 174.99 1x5i s PRO 118 N -3.16 4.32 -1.24 3.54 0.04 -1.26 -2.68 135.00 134.57 1x5i s PRO 118 Ca 0.73 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.61 1x5i s PRO 118 Cb -0.30 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1x5i s PRO 118 CO 0.33 -0.45 1.86 1.58 0.04 0.00 0.00 177.00 180.37 1x5i n HIS 119 N 4.19 3.67 -0.08 0.56 -0.00 -1.26 -4.57 115.22 117.72 1x5i n HIS 119 Ca 0.12 -2.25 -0.17 0.00 0.46 0.00 0.00 57.72 55.88 1x5i n HIS 119 Cb 0.43 -2.57 -0.13 0.00 -0.12 0.00 0.00 29.99 27.59 1x5i n HIS 119 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1x5i n THR 120 N 6.84 1.55 -2.38 3.57 5.66 -1.26 -4.98 114.28 123.28 1x5i n THR 120 Ca 0.48 -0.66 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 1x5i n THR 120 Cb 0.45 -1.30 0.04 0.00 -1.55 0.00 0.00 70.33 67.97 1x5i n THR 120 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x5i s SER 121 N -6.43 5.42 0.00 1.09 0.15 -1.26 -5.09 113.70 107.57 1x5i s SER 121 Ca -0.25 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1x5i s SER 121 Cb 0.08 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1x5i s SER 121 CO 0.70 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1x5i n GLY 122 N -2.63 3.18 0.00 9.45 0.00 -1.26 -5.00 105.19 108.93 1x5i n GLY 122 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 0.28 -1.95 1.61 -0.04 -1.26 -4.76 135.00 128.88 1x5i n PRO 123 Ca 0.00 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1x5i n PRO 123 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1x5i n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5i s SER 124 N -2.43 6.52 -0.29 3.54 0.15 -1.26 -4.95 113.70 114.99 1x5i s SER 124 Ca 0.16 2.19 -0.19 0.00 0.70 0.00 0.00 55.95 58.81 1x5i s SER 124 Cb 0.10 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 62.04 1x5i s SER 124 CO 0.22 -1.05 1.10 -0.55 1.20 0.00 0.00 173.24 174.15 1x5i s SER 125 N 3.92 -0.35 0.00 5.45 0.15 -1.26 -5.15 113.70 116.46 1x5i s SER 125 Ca 0.77 0.59 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1x5i s SER 125 Cb -0.33 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1x5i s SER 125 CO 0.32 -0.10 0.29 0.61 1.20 0.00 0.00 173.24 175.56