#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snf n SER 2 N 0.00 1.39 -1.90 6.12 2.88 -1.26 -5.16 113.62 115.69 1snf n SER 2 Ca 0.00 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1snf n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1snf n SER 2 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1snf n THR 3 N -0.14 0.00 -3.32 2.46 5.66 -1.26 -5.14 114.28 112.54 1snf n THR 3 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1snf n THR 3 Cb 0.00 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 1snf n THR 3 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1snf s THR 4 N -0.41 3.78 -0.23 1.09 -4.23 -1.26 -5.08 115.64 109.29 1snf s THR 4 Ca 0.00 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1snf s THR 4 Cb 0.00 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1snf s THR 4 CO 0.00 -0.12 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.66 1snf s LEU 5 N -4.24 2.75 0.14 4.79 2.96 -1.26 -4.88 118.68 118.93 1snf s LEU 5 Ca 0.48 -1.17 -0.31 0.00 -0.22 0.00 0.00 54.13 52.91 1snf s LEU 5 Cb -0.10 -1.30 -0.09 0.00 0.50 0.00 0.00 46.19 45.21 1snf s LEU 5 CO 0.32 -0.20 1.41 0.00 -1.32 0.00 0.00 176.35 176.56 1snf s ALA 6 N 1.31 3.62 -0.00 5.97 0.00 -1.26 -4.95 121.76 126.44 1snf s ALA 6 Ca -0.06 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1snf s ALA 6 Cb -0.19 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.39 1snf s ALA 6 CO -0.06 -0.64 -0.05 -1.50 0.00 0.00 0.00 175.76 173.51 1snf s ILE 7 N 0.91 0.40 -0.18 0.00 2.07 -1.26 -1.86 121.20 121.28 1snf s ILE 7 Ca 0.64 -0.23 -0.04 0.00 -1.41 0.00 0.00 60.65 59.61 1snf s ILE 7 Cb -0.38 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 1snf s ILE 7 CO 0.32 0.10 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.72 1snf s VAL 8 N -0.15 3.70 -0.75 4.00 1.01 0.10 -5.00 120.40 123.31 1snf s VAL 8 Ca 0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1snf s VAL 8 Cb -0.02 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1snf s VAL 8 CO -0.00 0.46 1.09 -0.13 0.00 0.00 0.00 175.10 176.52 1snf s ARG 9 N 0.79 3.25 0.33 2.72 0.52 -1.26 -1.95 118.95 123.35 1snf s ARG 9 Ca -0.01 -0.90 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1snf s ARG 9 Cb -0.15 -4.43 0.59 0.00 0.52 0.00 0.00 34.95 31.48 1snf s ARG 9 CO 0.02 -1.91 1.78 -0.07 0.02 0.00 0.00 175.30 175.14 1snf h LEU 10 N 11.64 0.17 -7.89 2.53 3.38 -1.22 -3.33 115.31 120.58 1snf h LEU 10 Ca -0.17 -0.06 -0.71 0.00 0.09 0.00 0.00 57.88 57.03 1snf h LEU 10 Cb 1.05 -0.05 -0.32 0.00 0.09 0.00 0.00 40.66 41.44 1snf h LEU 10 CO 1.21 0.51 -0.47 -0.62 0.09 0.00 0.00 178.44 179.16 1snf s ASP 11 N -6.89 5.48 0.03 -0.43 -1.08 -0.81 -4.97 116.67 108.00 1snf s ASP 11 Ca -0.04 -1.97 0.13 0.00 -0.52 0.00 0.00 52.55 50.16 1snf s ASP 11 Cb 0.14 -1.92 0.57 0.00 -1.46 0.00 0.00 42.92 40.25 1snf s ASP 11 CO 0.75 -0.62 1.42 -0.81 0.52 0.00 0.00 175.17 176.43 1snf n PRO 12 N 4.75 0.02 0.00 4.34 -0.04 -1.25 -2.89 135.00 139.93 1snf n PRO 12 Ca -0.05 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 1snf n PRO 12 Cb 0.41 -1.55 0.66 0.00 -0.04 0.00 0.00 33.50 32.99 1snf n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1snf n GLY 13 N -0.28 -1.28 3.87 0.55 0.00 -1.26 -4.85 105.19 101.94 1snf n GLY 13 Ca 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1snf n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snf s LEU 14 N -2.70 4.08 0.60 0.99 1.43 -1.14 -5.06 118.68 116.88 1snf s LEU 14 Ca 0.22 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.19 1snf s LEU 14 Cb 0.18 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1snf s LEU 14 CO 0.45 0.08 1.19 -2.84 0.23 0.00 0.00 176.35 175.45 1snf s PRO 15 N -3.04 2.98 0.21 1.29 0.02 -1.26 -4.98 135.00 130.23 1snf s PRO 15 Ca 0.33 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 1snf s PRO 15 Cb -0.11 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1snf s PRO 15 CO 0.26 -1.18 1.50 -1.17 -0.33 0.00 0.00 177.00 176.08 1snf s LEU 16 N -4.13 4.38 0.50 -5.54 2.96 -1.26 -4.95 118.68 110.64 1snf s LEU 16 Ca 0.76 2.66 -0.23 0.00 -0.22 0.00 0.00 54.13 57.10 1snf s LEU 16 Cb -0.28 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.72 1snf s LEU 16 CO 0.33 -0.76 1.23 -2.65 -1.32 0.00 0.00 176.35 173.18 1snf n PRO 17 N 3.01 1.61 -3.83 0.98 -0.02 -1.26 -5.01 135.00 130.48 1snf n PRO 17 Ca 0.10 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1snf n PRO 17 Cb 0.39 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 1snf n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1snf s SER 18 N -0.82 0.02 -0.32 2.55 1.04 -1.26 -4.98 113.70 109.92 1snf s SER 18 Ca 0.68 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 56.31 1snf s SER 18 Cb -0.46 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1snf s SER 18 CO 0.53 -0.80 0.50 -0.60 0.98 0.00 0.00 173.24 173.85 1snf s ARG 19 N -3.87 3.75 0.27 4.02 3.52 -1.26 -3.59 118.95 121.79 1snf s ARG 19 Ca 0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 1snf s ARG 19 Cb 0.04 -3.76 0.39 0.00 -1.56 0.00 0.00 34.95 30.06 1snf s ARG 19 CO -0.09 -0.55 1.70 0.00 -0.81 0.00 0.00 175.30 175.55 1snf h ALA 20 N 8.34 1.06 -2.84 6.12 0.00 -1.94 -3.44 119.26 126.57 1snf h ALA 20 Ca -0.28 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 53.98 1snf h ALA 20 Cb 1.13 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.62 1snf h ALA 20 CO 0.75 0.58 -0.73 -1.01 0.00 0.00 0.00 179.25 178.84 1snf s HIS 21 N -4.37 0.83 0.27 0.00 3.76 -1.26 -5.07 115.29 109.45 1snf s HIS 21 Ca -0.06 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 1snf s HIS 21 Cb 0.13 -0.48 0.48 0.00 1.11 0.00 0.00 32.58 33.82 1snf s HIS 21 CO 0.79 -0.08 1.84 -0.44 -0.85 0.00 0.00 174.74 176.00 1snf h ASP 22 N 3.88 0.89 -0.14 1.40 3.32 -2.03 -2.00 116.42 121.74 1snf h ASP 22 Ca -0.36 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1snf h ASP 22 Cb 1.19 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1snf h ASP 22 CO 0.50 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 1snf n GLY 23 N -1.34 0.34 3.75 2.75 0.00 -1.26 -4.94 105.19 104.48 1snf n GLY 23 Ca 0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1snf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1snf s ASP 24 N -1.68 6.67 0.36 1.61 1.01 -0.75 -4.90 116.67 118.98 1snf s ASP 24 Ca 0.34 2.65 0.07 0.00 0.71 0.00 0.00 52.55 56.32 1snf s ASP 24 Cb 0.19 -2.62 0.68 0.00 1.01 0.00 0.00 42.92 42.17 1snf s ASP 24 CO 0.29 -0.68 1.89 0.00 0.21 0.00 0.00 175.17 176.87 1snf h ALA 25 N 4.98 1.42 -2.48 5.23 0.00 -1.92 -3.46 119.26 123.03 1snf h ALA 25 Ca -0.46 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 1snf h ALA 25 Cb 1.22 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1snf h ALA 25 CO 0.77 0.40 -0.77 0.20 0.00 0.00 0.00 179.25 179.85 1snf s GLY 26 N -3.95 1.72 -0.12 0.00 0.00 -1.26 -4.51 107.32 99.20 1snf s GLY 26 Ca -0.07 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.85 1snf s GLY 26 CO 0.75 -1.83 0.08 -1.34 0.00 0.00 0.00 173.10 170.77 1snf s VAL 27 N -2.37 5.01 0.14 1.40 -7.23 -0.49 -4.64 120.40 112.22 1snf s VAL 27 Ca 0.25 0.02 -0.31 0.00 -1.81 0.00 0.00 61.98 60.14 1snf s VAL 27 Cb -0.05 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.64 1snf s VAL 27 CO 0.12 0.59 1.31 -1.81 -0.31 0.00 0.00 175.10 174.99 1snf s ASP 28 N -0.73 6.93 -0.07 4.85 1.01 -1.24 -0.93 116.67 126.49 1snf s ASP 28 Ca 0.12 2.28 -0.06 0.00 0.71 0.00 0.00 52.55 55.60 1snf s ASP 28 Cb -0.12 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1snf s ASP 28 CO 0.03 -0.55 0.17 -0.76 0.21 0.00 0.00 175.17 174.28 1snf s LEU 29 N 0.56 4.39 0.22 1.23 1.43 -0.48 -4.35 118.68 121.68 1snf s LEU 29 Ca 0.60 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1snf s LEU 29 Cb -0.35 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1snf s LEU 29 CO 0.33 0.35 0.33 -0.31 0.23 0.00 0.00 176.35 177.28 1snf s TYR 30 N -1.14 3.44 -0.05 0.29 1.51 -1.26 -0.41 117.35 119.73 1snf s TYR 30 Ca 0.20 0.01 -0.24 0.00 -1.01 0.00 0.00 57.07 56.03 1snf s TYR 30 Cb -0.12 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1snf s TYR 30 CO 0.10 0.46 0.73 0.45 -1.11 0.00 0.00 175.55 176.18 1snf s SER 31 N -3.77 7.04 0.00 2.29 0.15 -0.26 -4.21 113.70 114.95 1snf s SER 31 Ca 0.34 1.26 0.29 0.00 0.70 0.00 0.00 55.95 58.54 1snf s SER 31 Cb -0.09 -2.43 1.32 0.00 -1.71 0.00 0.00 66.02 63.10 1snf s SER 31 CO 0.29 -0.11 1.91 0.00 1.20 0.00 0.00 173.24 176.52 1snf n ALA 32 N 3.68 2.72 -2.54 5.45 0.00 -0.06 -0.18 120.51 129.58 1snf n ALA 32 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1snf n ALA 32 Cb 0.51 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1snf n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1snf s GLU 33 N -2.38 0.51 -0.03 0.00 -1.05 -1.26 -4.84 118.70 109.64 1snf s GLU 33 Ca 0.32 -0.91 -0.28 0.00 -0.15 0.00 0.00 54.97 53.95 1snf s GLU 33 Cb 0.20 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 1snf s GLU 33 CO 0.45 -0.10 0.91 -0.51 0.95 0.00 0.00 175.26 176.96 1snf s ASP 34 N -2.25 7.25 -0.08 0.83 1.01 -1.26 -3.12 116.67 119.05 1snf s ASP 34 Ca -0.03 1.51 -0.19 0.00 0.71 0.00 0.00 52.55 54.55 1snf s ASP 34 Cb -0.00 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1snf s ASP 34 CO -0.06 -0.25 0.45 0.54 0.21 0.00 0.00 175.17 176.06 1snf s VAL 35 N 1.10 0.03 -0.17 -1.27 0.11 -0.43 -4.96 120.40 114.81 1snf s VAL 35 Ca 0.48 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1snf s VAL 35 Cb -0.20 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1snf s VAL 35 CO 0.24 -0.12 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.09 1snf s GLU 36 N -0.79 3.37 -0.31 1.54 2.12 -1.26 -0.93 118.70 122.44 1snf s GLU 36 Ca -0.09 -0.67 -0.06 0.00 0.36 0.00 0.00 54.97 54.52 1snf s GLU 36 Cb -0.03 -2.77 0.03 0.00 0.26 0.00 0.00 34.13 31.61 1snf s GLU 36 CO 0.04 0.04 0.07 -0.51 -0.54 0.00 0.00 175.26 174.37 1snf s LEU 37 N 0.80 4.02 0.90 2.70 1.43 0.37 -4.98 118.68 123.91 1snf s LEU 37 Ca -0.04 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 1snf s LEU 37 Cb -0.15 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.36 1snf s LEU 37 CO 0.01 -0.25 1.11 0.00 0.23 0.00 0.00 176.35 177.44 1snf s ALA 38 N 1.42 1.48 0.16 4.21 0.00 -1.26 -1.38 121.76 126.40 1snf s ALA 38 Ca -0.00 0.32 -0.34 0.00 0.00 0.00 0.00 51.96 51.94 1snf s ALA 38 Cb -0.18 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 1snf s ALA 38 CO 0.02 -2.55 1.39 -2.30 0.00 0.00 0.00 175.76 172.32 1snf n PRO 39 N -4.06 1.67 -0.60 0.00 -0.02 -1.26 -1.67 135.00 129.05 1snf n PRO 39 Ca 0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1snf n PRO 39 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1snf n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snf n GLY 40 N 2.58 0.93 3.93 -1.23 0.00 0.11 -5.01 105.19 106.51 1snf n GLY 40 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1snf n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1snf s ARG 41 N -0.29 3.49 0.36 1.61 0.52 -0.67 -4.78 118.95 119.18 1snf s ARG 41 Ca 0.00 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1snf s ARG 41 Cb 0.00 -2.92 -0.07 0.00 0.52 0.00 0.00 34.95 32.48 1snf s ARG 41 CO 0.00 0.48 -0.00 -0.98 0.02 0.00 0.00 175.30 174.82 1snf s ARG 42 N -3.11 1.80 0.04 3.54 1.70 -1.26 -1.13 118.95 120.54 1snf s ARG 42 Ca 0.37 -1.99 -0.19 0.00 -0.47 0.00 0.00 55.73 53.44 1snf s ARG 42 Cb -0.11 -1.38 0.04 0.00 -0.57 0.00 0.00 34.95 32.93 1snf s ARG 42 CO 0.28 -0.05 0.44 0.00 -1.08 0.00 0.00 175.30 174.90 1snf s ALA 43 N -2.89 -1.10 -0.39 7.88 0.00 -0.46 -4.99 121.76 119.81 1snf s ALA 43 Ca 0.34 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1snf s ALA 43 Cb 0.08 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1snf s ALA 43 CO 0.16 -0.47 0.36 -1.17 0.00 0.00 0.00 175.76 174.65 1snf s LEU 44 N -1.99 4.77 -0.13 0.00 2.96 -1.26 -1.43 118.68 121.60 1snf s LEU 44 Ca -0.05 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 1snf s LEU 44 Cb -0.01 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1snf s LEU 44 CO -0.02 -0.45 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.80 1snf s VAL 45 N 1.96 3.66 0.16 1.68 1.01 -0.38 -4.88 120.40 123.61 1snf s VAL 45 Ca 0.10 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1snf s VAL 45 Cb -0.17 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1snf s VAL 45 CO 0.12 0.53 0.91 -0.13 0.00 0.00 0.00 175.10 176.52 1snf s ARG 46 N 0.03 4.71 0.00 2.72 0.52 -1.26 -0.06 118.95 125.61 1snf s ARG 46 Ca -0.01 1.38 0.20 0.00 -0.52 0.00 0.00 55.73 56.78 1snf s ARG 46 Cb -0.14 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1snf s ARG 46 CO 0.03 0.38 0.95 0.25 0.02 0.00 0.00 175.30 176.93 1snf n THR 47 N 2.17 0.00 -1.08 0.02 -2.24 -0.89 -0.88 114.28 111.39 1snf n THR 47 Ca -0.01 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1snf n THR 47 Cb 0.48 1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1snf n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snf n GLY 48 N 1.34 0.56 3.17 3.38 0.00 -1.26 -4.51 105.19 107.87 1snf n GLY 48 Ca 0.07 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1snf n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snf s VAL 49 N -1.90 0.96 0.05 1.61 -7.23 -1.26 -0.62 120.40 112.01 1snf s VAL 49 Ca 0.00 -1.55 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1snf s VAL 49 Cb 0.00 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1snf s VAL 49 CO 0.00 -0.49 -0.16 0.00 -0.31 0.00 0.00 175.10 174.14 1snf s ALA 50 N -2.17 1.38 0.20 1.32 0.00 -0.82 -1.05 121.76 120.62 1snf s ALA 50 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1snf s ALA 50 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1snf s ALA 50 CO 0.01 0.27 -0.05 0.14 0.00 0.00 0.00 175.76 176.13 1snf s VAL 51 N -0.91 1.13 -0.69 0.00 -7.23 -1.26 -0.72 120.40 110.72 1snf s VAL 51 Ca 0.03 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1snf s VAL 51 Cb -0.09 -2.15 0.17 0.00 0.56 0.00 0.00 36.38 34.88 1snf s VAL 51 CO 0.02 -0.49 0.49 0.00 -0.31 0.00 0.00 175.10 174.80 1snf s ALA 52 N -3.36 3.75 -0.03 1.32 0.00 -0.78 -4.50 121.76 118.17 1snf s ALA 52 Ca 0.24 -3.62 -0.34 0.00 0.00 0.00 0.00 51.96 48.24 1snf s ALA 52 Cb 0.04 -2.38 -0.12 0.00 0.00 0.00 0.00 23.12 20.66 1snf s ALA 52 CO 0.06 -2.09 1.81 0.28 0.00 0.00 0.00 175.76 175.82 1snf n VAL 53 N 2.56 0.45 -1.69 0.00 0.31 -1.26 -4.40 118.33 114.30 1snf n VAL 53 Ca 0.15 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 1snf n VAL 53 Cb 0.35 -1.81 0.03 0.00 -0.91 0.00 0.00 33.84 31.50 1snf n VAL 53 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1snf n PRO 54 N 5.90 1.60 -1.71 5.55 -0.02 -1.26 -4.41 135.00 140.65 1snf n PRO 54 Ca 0.21 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1snf n PRO 54 Cb 0.30 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1snf n PRO 54 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1snf n PHE 55 N -0.79 2.50 -0.18 6.00 7.35 -1.26 -1.24 117.46 129.84 1snf n PHE 55 Ca 0.09 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1snf n PHE 55 Cb 0.43 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.72 1snf n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1snf n GLY 56 N 2.28 1.34 3.79 7.13 0.00 -1.26 -5.07 105.19 113.40 1snf n GLY 56 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1snf n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1snf s MET 57 N -0.46 2.20 -0.02 1.61 -1.94 -0.37 -1.59 119.30 118.73 1snf s MET 57 Ca 0.00 -2.23 -0.05 0.00 -1.71 0.00 0.00 55.69 51.70 1snf s MET 57 Cb 0.00 -1.73 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1snf s MET 57 CO 0.00 -0.39 0.12 0.54 -0.01 0.00 0.00 175.02 175.28 1snf s VAL 58 N -2.81 0.05 -0.05 -6.03 0.11 0.79 -4.31 120.40 108.14 1snf s VAL 58 Ca 0.18 -0.38 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 1snf s VAL 58 Cb 0.01 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1snf s VAL 58 CO 0.11 -0.21 0.37 -0.83 -3.33 0.00 0.00 175.10 171.21 1snf s GLY 59 N -0.69 2.40 -0.06 6.54 0.00 -0.09 -1.76 107.32 113.66 1snf s GLY 59 Ca -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.37 1snf s GLY 59 CO 0.01 0.20 -0.10 1.08 0.00 0.00 0.00 173.10 174.30 1snf s LEU 60 N -0.66 1.53 -0.31 0.66 1.43 0.16 -0.24 118.68 121.25 1snf s LEU 60 Ca 0.22 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1snf s LEU 60 Cb -0.16 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 1snf s LEU 60 CO 0.11 0.00 0.16 -0.69 0.23 0.00 0.00 176.35 176.16 1snf s VAL 61 N 0.78 4.76 0.15 -1.59 1.01 0.10 -0.42 120.40 125.18 1snf s VAL 61 Ca -0.13 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1snf s VAL 61 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1snf s VAL 61 CO 0.02 0.09 -0.17 -1.00 0.00 0.00 0.00 175.10 174.04 1snf s HIS 62 N 1.64 2.51 0.61 5.22 3.76 -0.30 -1.02 115.29 127.71 1snf s HIS 62 Ca 0.05 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.53 1snf s HIS 62 Cb -0.17 -1.29 -0.03 0.00 1.11 0.00 0.00 32.58 32.21 1snf s HIS 62 CO 0.07 0.44 1.07 -2.14 -0.85 0.00 0.00 174.74 173.33 1snf s PRO 63 N -2.43 3.22 0.05 8.40 0.02 -1.26 -1.33 135.00 141.66 1snf s PRO 63 Ca 0.20 1.25 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 1snf s PRO 63 Cb -0.10 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 1snf s PRO 63 CO 0.11 -0.90 1.09 1.03 -0.33 0.00 0.00 177.00 178.00 1snf s ARG 64 N -4.06 4.51 0.11 5.54 0.52 -1.26 -4.73 118.95 119.57 1snf s ARG 64 Ca 0.64 1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 57.34 1snf s ARG 64 Cb -0.17 -3.39 -0.14 0.00 0.52 0.00 0.00 34.95 31.77 1snf s ARG 64 CO 0.38 -0.13 1.32 0.66 0.02 0.00 0.00 175.30 177.55 1snf h SER 65 N 6.63 0.96 -0.00 0.23 4.64 -1.96 -2.87 113.55 121.17 1snf h SER 65 Ca -0.42 -0.61 0.01 0.00 -0.47 0.00 0.00 61.79 60.31 1snf h SER 65 Cb 1.22 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1snf h SER 65 CO 0.78 1.41 -0.33 1.23 -0.87 0.00 0.00 176.83 179.05 1snf h GLY 66 N 0.58 -1.23 1.53 -0.77 0.00 -1.99 -2.53 103.07 98.66 1snf h GLY 66 Ca -0.04 0.64 0.04 0.00 0.00 0.00 0.00 47.33 47.96 1snf h GLY 66 CO 0.16 -0.35 0.20 1.41 0.00 0.00 0.00 176.54 177.96 1snf h LEU 67 N -0.41 0.00 -0.11 3.11 3.38 -1.94 0.14 115.31 119.48 1snf h LEU 67 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1snf h LEU 67 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1snf h LEU 67 CO -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.31 1snf h ALA 68 N 1.71 0.15 -0.00 1.53 0.00 -1.23 -2.14 119.26 119.29 1snf h ALA 68 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1snf h ALA 68 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1snf h ALA 68 CO -0.00 -0.15 -0.04 1.15 0.00 0.00 0.00 179.25 180.21 1snf h THR 69 N -0.07 1.59 -0.67 0.00 2.02 -0.95 -0.31 112.91 114.51 1snf h THR 69 Ca 0.03 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 1snf h THR 69 Cb 0.36 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 1snf h THR 69 CO 0.01 0.47 0.22 0.03 0.37 0.00 0.00 175.52 176.61 1snf h ARG 70 N -0.70 1.01 0.00 6.66 3.08 -0.84 -3.35 114.38 120.24 1snf h ARG 70 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1snf h ARG 70 Cb 0.79 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1snf h ARG 70 CO 0.01 0.86 0.00 1.33 -1.07 0.00 0.00 179.97 181.09 1snf n VAL 71 N -4.27 0.08 -1.00 2.04 0.24 -0.85 -5.05 118.33 109.52 1snf n VAL 71 Ca 0.05 -0.14 -0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1snf n VAL 71 Cb 0.21 1.45 -0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1snf n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1snf n GLY 72 N -0.04 0.41 3.74 7.63 0.00 -0.13 -4.34 105.19 112.46 1snf n GLY 72 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1snf n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1snf s LEU 73 N -0.00 4.52 0.00 0.99 2.96 -1.05 -1.39 118.68 124.71 1snf s LEU 73 Ca 0.00 1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 55.82 1snf s LEU 73 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1snf s LEU 73 CO 0.00 -0.08 0.34 -0.24 -1.32 0.00 0.00 176.35 175.04 1snf n SER 74 N 2.43 -0.93 -3.98 3.68 2.88 -0.77 -4.09 113.62 112.84 1snf n SER 74 Ca 0.02 -2.34 -0.27 0.00 -1.33 0.00 0.00 58.87 54.95 1snf n SER 74 Cb 0.48 1.75 -0.17 0.00 -0.75 0.00 0.00 64.21 65.52 1snf n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1snf s ILE 75 N -2.71 1.23 0.14 2.46 1.01 -1.26 -1.07 121.20 120.99 1snf s ILE 75 Ca 0.21 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 1snf s ILE 75 Cb -0.01 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1snf s ILE 75 CO 0.15 0.39 1.72 0.58 0.00 0.00 0.00 174.94 177.78 1snf h VAL 76 N 6.06 0.83 -0.56 2.92 2.07 -1.36 -2.07 116.25 124.14 1snf h VAL 76 Ca -0.32 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 1snf h VAL 76 Cb 1.16 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 1snf h VAL 76 CO 0.46 0.01 0.19 -0.46 0.02 0.00 0.00 177.57 177.79 1snf n ASN 77 N -5.15 4.23 -4.74 0.57 6.94 -1.26 -5.00 115.26 110.86 1snf n ASN 77 Ca -0.01 -2.91 -0.42 0.00 -0.02 0.00 0.00 54.58 51.22 1snf n ASN 77 Cb 0.13 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 36.85 1snf n ASN 77 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1snf n SER 78 N 0.01 3.54 -4.72 0.53 2.88 -0.78 -2.83 113.62 112.25 1snf n SER 78 Ca 0.30 1.19 -0.41 0.00 -1.33 0.00 0.00 58.87 58.62 1snf n SER 78 Cb 1.14 -1.57 -0.04 0.00 -0.75 0.00 0.00 64.21 62.99 1snf n SER 78 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1snf s PRO 79 N -1.36 4.56 0.24 -1.46 0.04 -1.26 -5.09 135.00 130.67 1snf s PRO 79 Ca 0.59 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1snf s PRO 79 Cb -0.52 -3.43 -0.09 0.00 0.04 0.00 0.00 34.50 30.50 1snf s PRO 79 CO 0.57 0.08 1.34 0.20 0.04 0.00 0.00 177.00 179.23 1snf s GLY 80 N 0.59 2.56 -0.28 0.56 0.00 -0.19 -4.77 107.32 105.80 1snf s GLY 80 Ca 0.46 1.20 -0.06 0.00 0.00 0.00 0.00 44.72 46.32 1snf s GLY 80 CO 0.26 2.08 0.05 -1.59 0.00 0.00 0.00 173.10 173.89 1snf s THR 81 N -0.24 3.79 -0.39 0.90 2.01 -1.26 -0.73 115.64 119.73 1snf s THR 81 Ca 0.55 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 1snf s THR 81 Cb -0.39 -2.91 0.05 0.00 0.01 0.00 0.00 72.50 69.27 1snf s THR 81 CO 0.43 0.16 0.21 -0.63 -0.69 0.00 0.00 174.62 174.10 1snf s ILE 82 N 1.49 4.23 0.54 1.82 -1.09 0.66 -4.99 121.20 123.86 1snf s ILE 82 Ca 0.03 -1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 57.12 1snf s ILE 82 Cb -0.17 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.17 1snf s ILE 82 CO 0.01 -0.34 1.01 -1.81 -1.23 0.00 0.00 174.94 172.57 1snf s ASP 83 N 1.76 6.38 0.40 3.58 1.01 -1.26 -0.91 116.67 127.63 1snf s ASP 83 Ca 0.02 1.63 0.15 0.00 0.71 0.00 0.00 52.55 55.06 1snf s ASP 83 Cb -0.21 -2.51 1.01 0.00 1.01 0.00 0.00 42.92 42.21 1snf s ASP 83 CO 0.04 -0.75 1.85 0.00 0.21 0.00 0.00 175.17 176.51 1snf h ALA 84 N 0.74 2.09 -0.03 5.23 0.00 -1.77 -1.57 119.26 123.95 1snf h ALA 84 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1snf h ALA 84 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1snf h ALA 84 CO 0.60 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1snf n GLY 85 N -1.48 -0.50 3.68 0.00 0.00 -1.26 -4.32 105.19 101.30 1snf n GLY 85 Ca 0.19 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1snf n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1snf s TYR 86 N -1.97 3.45 -0.25 1.61 5.04 -0.59 -4.91 117.35 119.73 1snf s TYR 86 Ca 0.39 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 56.42 1snf s TYR 86 Cb 0.20 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.48 1snf s TYR 86 CO 0.32 -0.23 0.83 0.54 -1.34 0.00 0.00 175.55 175.67 1snf n ARG 87 N 5.13 1.26 -2.04 4.97 5.12 -1.26 -4.65 116.66 125.19 1snf n ARG 87 Ca 0.06 -1.16 -0.29 0.00 -1.93 0.00 0.00 57.85 54.53 1snf n ARG 87 Cb 0.49 -1.05 0.18 0.00 -1.16 0.00 0.00 32.46 30.91 1snf n ARG 87 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1snf s GLY 88 N -0.63 1.78 0.34 -0.13 0.00 -1.26 -4.76 107.32 102.67 1snf s GLY 88 Ca 0.04 -1.31 -0.28 0.00 0.00 0.00 0.00 44.72 43.17 1snf s GLY 88 CO 0.03 -0.56 1.26 1.85 0.00 0.00 0.00 173.10 175.69 1snf s GLU 89 N -5.78 4.31 -0.12 2.90 2.12 -1.26 -4.41 118.70 116.45 1snf s GLU 89 Ca 0.73 2.11 -0.30 0.00 0.36 0.00 0.00 54.97 57.88 1snf s GLU 89 Cb -0.04 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 1snf s GLU 89 CO 0.52 -0.19 1.07 0.42 -0.54 0.00 0.00 175.26 176.53 1snf s ILE 90 N -1.19 4.62 0.03 -3.70 1.01 -0.22 -4.98 121.20 116.78 1snf s ILE 90 Ca 0.50 1.92 0.07 0.00 0.00 0.00 0.00 60.65 63.14 1snf s ILE 90 Cb -0.37 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1snf s ILE 90 CO 0.49 -0.04 -0.22 -0.54 0.00 0.00 0.00 174.94 174.64 1snf s LYS 91 N 2.34 1.56 -0.19 2.79 1.02 -1.26 -2.09 119.74 123.90 1snf s LYS 91 Ca 0.50 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1snf s LYS 91 Cb -0.19 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1snf s LYS 91 CO 0.17 0.43 -0.12 0.08 -0.92 0.00 0.00 175.35 174.98 1snf s VAL 92 N -0.72 2.77 -1.28 3.17 1.01 0.92 -4.88 120.40 121.39 1snf s VAL 92 Ca 0.08 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1snf s VAL 92 Cb -0.09 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1snf s VAL 92 CO 0.01 0.49 1.79 0.00 0.00 0.00 0.00 175.10 177.39 1snf n ALA 93 N 4.54 3.20 -1.68 5.51 0.00 -1.26 -1.25 120.51 129.57 1snf n ALA 93 Ca -0.19 -3.66 -0.34 0.00 0.00 0.00 0.00 53.44 49.25 1snf n ALA 93 Cb 0.51 -3.58 0.01 0.00 0.00 0.00 0.00 19.45 16.39 1snf n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1snf s LEU 94 N 5.69 3.61 -0.11 0.00 1.43 -0.52 -0.97 118.68 127.80 1snf s LEU 94 Ca 0.57 2.01 -0.10 0.00 -1.03 0.00 0.00 54.13 55.58 1snf s LEU 94 Cb 0.03 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.73 1snf s LEU 94 CO 0.09 -1.25 0.30 -0.51 0.23 0.00 0.00 176.35 175.20 1snf s ILE 95 N -2.12 -0.00 -0.49 -0.59 2.07 -0.23 -1.36 121.20 118.47 1snf s ILE 95 Ca 0.68 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.74 1snf s ILE 95 Cb -0.20 -0.42 0.05 0.00 0.13 0.00 0.00 42.46 42.02 1snf s ILE 95 CO 0.32 0.01 0.65 0.21 -1.91 0.00 0.00 174.94 174.22 1snf s ASN 96 N 0.29 6.26 0.00 4.50 3.84 -0.28 -1.85 114.94 127.69 1snf s ASN 96 Ca -0.01 -0.70 0.24 0.00 0.21 0.00 0.00 52.86 52.60 1snf s ASN 96 Cb -0.03 -2.31 0.80 0.00 -0.55 0.00 0.00 41.25 39.16 1snf s ASN 96 CO -0.01 -0.88 1.59 0.18 -2.79 0.00 0.00 177.10 175.19 1snf n LEU 97 N 6.29 1.87 -4.77 3.21 4.77 -0.48 -0.71 117.00 127.18 1snf n LEU 97 Ca -0.05 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 54.85 1snf n LEU 97 Cb 0.46 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1snf n LEU 97 CO 0.54 0.35 0.85 -0.62 -1.33 0.00 0.00 177.39 177.19 1snf s ASP 98 N -1.78 6.16 0.35 -1.43 2.15 -1.26 -4.90 116.67 115.97 1snf s ASP 98 Ca 0.35 2.38 0.25 0.00 0.43 0.00 0.00 52.55 55.96 1snf s ASP 98 Cb 0.20 -2.61 0.67 0.00 -0.30 0.00 0.00 42.92 40.87 1snf s ASP 98 CO 0.30 -0.93 1.72 -0.65 -0.17 0.00 0.00 175.17 175.44 1snf h PRO 99 N 2.15 0.00 0.00 4.34 0.11 -1.95 -3.29 132.00 133.35 1snf h PRO 99 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1snf h PRO 99 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1snf h PRO 99 CO 0.60 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.21 1snf n ALA 100 N -1.96 2.07 -2.66 -0.75 0.00 -1.26 -4.86 120.51 111.09 1snf n ALA 100 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1snf n ALA 100 Cb 0.45 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1snf n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snf s ALA 101 N -1.24 3.58 0.84 0.00 0.00 -1.26 -4.77 121.76 118.90 1snf s ALA 101 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 1snf s ALA 101 Cb 0.00 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.71 1snf s ALA 101 CO 0.00 -0.28 1.11 -2.14 0.00 0.00 0.00 175.76 174.45 1snf s PRO 102 N 1.26 1.64 -0.18 0.00 0.02 -1.26 -4.57 135.00 131.91 1snf s PRO 102 Ca 0.14 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 62.46 1snf s PRO 102 Cb -0.14 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 1snf s PRO 102 CO 0.07 -2.12 -0.12 0.42 -0.33 0.00 0.00 177.00 174.92 1snf s ILE 103 N -2.79 2.90 -0.27 2.83 1.01 -0.48 -4.99 121.20 119.42 1snf s ILE 103 Ca 0.64 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1snf s ILE 103 Cb -0.20 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1snf s ILE 103 CO 0.57 0.49 0.15 -0.69 0.00 0.00 0.00 174.94 175.46 1snf s VAL 104 N 1.02 5.00 -0.18 2.92 1.01 -1.26 -0.48 120.40 128.43 1snf s VAL 104 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1snf s VAL 104 Cb -0.15 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1snf s VAL 104 CO -0.02 0.28 0.04 -0.69 0.00 0.00 0.00 175.10 174.71 1snf s VAL 105 N 1.71 4.57 -0.00 2.92 1.01 -0.11 -5.02 120.40 125.48 1snf s VAL 105 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1snf s VAL 105 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1snf s VAL 105 CO 0.09 0.46 0.15 -1.00 0.00 0.00 0.00 175.10 174.79 1snf s HIS 106 N 0.42 3.45 -0.03 5.22 3.76 -1.26 -1.31 115.29 125.53 1snf s HIS 106 Ca 0.02 0.30 -0.37 0.00 -0.15 0.00 0.00 55.06 54.85 1snf s HIS 106 Cb -0.13 -1.79 -0.15 0.00 1.11 0.00 0.00 32.58 31.62 1snf s HIS 106 CO 0.01 0.61 1.57 -2.13 -0.85 0.00 0.00 174.74 173.95 1snf n ARG 107 N 0.99 1.45 -0.07 1.40 0.63 -1.18 -1.68 116.66 118.19 1snf n ARG 107 Ca -0.11 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1snf n ARG 107 Cb 0.53 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.21 1snf n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1snf n GLY 108 N 3.41 0.57 3.78 5.14 0.00 0.75 -4.97 105.19 113.88 1snf n GLY 108 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1snf n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1snf s ASP 109 N -2.60 7.06 -0.01 1.61 1.01 -0.68 -4.73 116.67 118.33 1snf s ASP 109 Ca 0.00 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 54.90 1snf s ASP 109 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1snf s ASP 109 CO 0.00 -0.27 1.30 -0.13 0.21 0.00 0.00 175.17 176.28 1snf s ARG 110 N -2.27 4.32 -0.00 8.23 0.52 -1.26 -1.10 118.95 127.39 1snf s ARG 110 Ca 0.54 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.59 1snf s ARG 110 Cb -0.20 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 1snf s ARG 110 CO 0.26 -0.50 0.04 0.44 0.02 0.00 0.00 175.30 175.56 1snf n ILE 111 N 4.57 0.00 -3.85 1.52 -5.35 0.45 -4.93 119.36 111.77 1snf n ILE 111 Ca 0.12 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.30 1snf n ILE 111 Cb 0.45 0.73 0.02 0.00 -1.74 0.00 0.00 39.64 39.10 1snf n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1snf s ALA 112 N -1.60 -1.24 0.04 -1.28 0.00 -1.18 -4.50 121.76 112.00 1snf s ALA 112 Ca -0.00 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1snf s ALA 112 Cb 0.01 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1snf s ALA 112 CO 0.05 -1.03 -0.09 1.14 0.00 0.00 0.00 175.76 175.82 1snf s GLN 113 N -2.32 0.61 -0.18 0.00 -2.07 -0.44 -1.38 119.66 113.88 1snf s GLN 113 Ca 0.19 -0.69 -0.02 0.00 -1.82 0.00 0.00 55.36 53.02 1snf s GLN 113 Cb -0.04 -0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 31.40 1snf s GLN 113 CO 0.08 0.10 -0.10 -1.17 -1.32 0.00 0.00 175.29 172.88 1snf s LEU 114 N -1.30 2.71 0.18 2.60 2.96 -0.10 -1.15 118.68 124.57 1snf s LEU 114 Ca -0.05 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1snf s LEU 114 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1snf s LEU 114 CO 0.01 0.05 0.25 -0.76 -1.32 0.00 0.00 176.35 174.57 1snf s LEU 115 N 1.05 4.15 -0.07 -0.68 1.02 0.44 -1.39 118.68 123.19 1snf s LEU 115 Ca -0.00 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.21 1snf s LEU 115 Cb -0.15 -2.72 0.01 0.00 0.02 0.00 0.00 46.19 43.35 1snf s LEU 115 CO -0.02 0.03 -0.15 -0.69 0.02 0.00 0.00 176.35 175.54 1snf s VAL 116 N -1.82 1.35 0.10 -1.59 1.01 -1.26 -0.66 120.40 117.53 1snf s VAL 116 Ca 0.33 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1snf s VAL 116 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1snf s VAL 116 CO 0.27 0.40 -0.08 -1.10 0.00 0.00 0.00 175.10 174.59 1snf s GLN 117 N 0.61 0.84 0.57 2.72 -0.21 -0.72 -4.98 119.66 118.49 1snf s GLN 117 Ca -0.15 -1.26 -0.19 0.00 0.02 0.00 0.00 55.36 53.79 1snf s GLN 117 Cb -0.16 -0.35 -0.05 0.00 1.00 0.00 0.00 33.01 33.45 1snf s GLN 117 CO 0.05 0.03 1.14 1.03 -2.12 0.00 0.00 175.29 175.41 1snf s ARG 118 N -3.36 3.22 0.05 2.91 0.52 -1.26 -0.15 118.95 120.88 1snf s ARG 118 Ca 0.09 1.60 0.05 0.00 -0.52 0.00 0.00 55.73 56.95 1snf s ARG 118 Cb 0.01 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1snf s ARG 118 CO -0.02 -0.96 -0.14 0.54 0.02 0.00 0.00 175.30 174.74 1snf s VAL 119 N -1.84 1.06 -0.37 3.52 0.11 -0.62 -4.77 120.40 117.50 1snf s VAL 119 Ca 0.72 -1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 1snf s VAL 119 Cb -0.24 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1snf s VAL 119 CO 0.30 -0.11 0.47 -1.61 -3.33 0.00 0.00 175.10 170.83 1snf s GLU 120 N -1.38 3.49 -1.34 1.54 0.41 -1.26 -4.70 118.70 115.46 1snf s GLU 120 Ca -0.01 -0.34 -0.13 0.00 -0.41 0.00 0.00 54.97 54.08 1snf s GLU 120 Cb -0.09 -3.85 0.10 0.00 -1.78 0.00 0.00 34.13 28.52 1snf s GLU 120 CO 0.02 -0.68 1.92 1.28 -0.49 0.00 0.00 175.26 177.30 1snf n LEU 121 N 5.67 6.21 -4.77 1.80 4.77 -1.26 -4.97 117.00 124.45 1snf n LEU 121 Ca -0.06 -4.30 -0.40 0.00 -0.03 0.00 0.00 56.01 51.22 1snf n LEU 121 Cb 0.49 -1.62 -0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1snf n LEU 121 CO 0.45 0.96 1.04 0.68 -1.33 0.00 0.00 177.39 179.19 1snf s VAL 122 N 2.29 2.33 -0.29 4.08 -7.23 -1.26 -4.97 120.40 115.34 1snf s VAL 122 Ca 0.45 0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.69 1snf s VAL 122 Cb 0.08 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.84 1snf s VAL 122 CO -0.02 0.06 0.83 -0.70 -0.31 0.00 0.00 175.10 174.96 1snf s GLU 123 N -2.18 4.02 0.07 4.82 2.56 -1.26 -5.06 118.70 121.68 1snf s GLU 123 Ca 0.55 0.71 -0.31 0.00 0.00 0.00 0.00 54.97 55.93 1snf s GLU 123 Cb -0.42 -3.71 -0.07 0.00 2.00 0.00 0.00 34.13 31.93 1snf s GLU 123 CO 0.56 -0.67 1.32 -0.51 -0.56 0.00 0.00 175.26 175.39 1snf s LEU 124 N 3.01 4.36 -0.22 2.70 1.02 -1.26 -5.02 118.68 123.27 1snf s LEU 124 Ca 0.34 2.17 0.02 0.00 0.02 0.00 0.00 54.13 56.68 1snf s LEU 124 Cb -0.14 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.53 1snf s LEU 124 CO 0.12 -0.59 -0.15 -0.69 0.02 0.00 0.00 176.35 175.06 1snf s VAL 125 N 1.32 2.10 0.25 -1.59 1.01 -1.26 -5.10 120.40 117.12 1snf s VAL 125 Ca 0.62 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1snf s VAL 125 Cb -0.33 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1snf s VAL 125 CO 0.29 0.21 1.14 -0.70 0.00 0.00 0.00 175.10 176.04 1snf s GLU 126 N 1.19 4.57 0.06 2.72 2.12 -1.26 -5.04 118.70 123.06 1snf s GLU 126 Ca -0.03 1.85 0.06 0.00 0.36 0.00 0.00 54.97 57.21 1snf s GLU 126 Cb -0.17 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1snf s GLU 126 CO -0.08 0.08 -0.16 0.14 -0.54 0.00 0.00 175.26 174.70 1snf s VAL 127 N -0.76 1.26 0.21 3.70 -7.23 -1.26 -5.05 120.40 111.27 1snf s VAL 127 Ca 0.48 -1.18 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 1snf s VAL 127 Cb -0.33 -1.16 0.08 0.00 0.56 0.00 0.00 36.38 35.53 1snf s VAL 127 CO 0.40 -0.04 1.67 0.77 -0.31 0.00 0.00 175.10 177.59 1snf h SER 128 N 4.63 0.96 -4.91 4.85 4.64 -1.97 -3.46 113.55 118.29 1snf h SER 128 Ca -0.41 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 60.70 1snf h SER 128 Cb 1.18 -0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.89 1snf h SER 128 CO 0.42 1.02 0.34 -0.94 -0.87 0.00 0.00 176.83 176.81 1snf s SER 129 N -6.61 -0.42 0.17 4.97 1.04 -1.26 -5.01 113.70 106.58 1snf s SER 129 Ca -0.11 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1snf s SER 129 Cb 0.14 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.84 1snf s SER 129 CO 0.84 -0.88 1.63 -0.26 0.98 0.00 0.00 173.24 175.55 1snf h PHE 130 N 2.00 1.13 0.18 5.02 0.05 -1.90 -2.12 116.94 121.30 1snf h PHE 130 Ca -0.27 -0.20 0.01 0.00 3.82 0.00 0.00 57.97 61.33 1snf h PHE 130 Cb 1.27 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 38.89 1snf h PHE 130 CO 0.28 1.01 -0.46 -0.44 -0.18 0.00 0.00 178.31 178.52 1snf h ASP 131 N 0.92 -1.33 0.27 2.17 3.32 -1.95 0.23 116.42 120.05 1snf h ASP 131 Ca 0.16 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1snf h ASP 131 Cb 0.57 0.49 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1snf h ASP 131 CO 0.03 -0.53 -0.09 -0.33 -1.72 0.00 0.00 179.24 176.60 1snf h GLU 132 N -0.73 0.00 -0.01 3.56 5.08 -1.93 -2.20 114.58 118.35 1snf h GLU 132 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1snf h GLU 132 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1snf h GLU 132 CO -0.22 0.09 -0.25 0.00 -1.00 0.00 0.00 179.01 177.63 1snf n ALA 133 N -2.30 3.06 -1.99 3.43 0.00 -0.81 -4.95 120.51 116.95 1snf n ALA 133 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 52.90 1snf n ALA 133 Cb 0.20 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1snf n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1snf n GLY 134 N 1.33 0.22 0.99 0.00 0.00 -0.55 -4.99 105.19 102.18 1snf n GLY 134 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1snf n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snf n LEU 135 N -0.83 3.89 0.00 0.99 4.77 0.71 -5.02 117.00 121.52 1snf n LEU 135 Ca -0.07 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 1snf n LEU 135 Cb 0.51 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1snf n LEU 135 CO 0.08 1.05 0.10 0.00 -1.33 0.00 0.00 177.39 177.30