#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snf s THR 3 N 0.00 4.21 0.28 2.46 2.01 -1.26 -5.06 115.64 118.28 1snf s THR 3 Ca 0.00 0.79 0.10 0.00 0.31 0.00 0.00 61.69 62.89 1snf s THR 3 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1snf s THR 3 CO 0.00 -0.87 -0.02 0.42 -0.69 0.00 0.00 174.62 173.47 1snf s THR 4 N -2.95 3.23 -0.21 -0.82 -4.23 -1.26 -5.12 115.64 104.28 1snf s THR 4 Ca 0.58 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1snf s THR 4 Cb -0.13 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1snf s THR 4 CO 0.50 -0.35 0.03 -0.22 -0.54 0.00 0.00 174.62 174.04 1snf s LEU 5 N -3.67 1.44 0.13 4.79 2.96 -1.26 -4.82 118.68 118.26 1snf s LEU 5 Ca 0.32 -0.95 -0.31 0.00 -0.22 0.00 0.00 54.13 52.96 1snf s LEU 5 Cb -0.05 -0.69 -0.09 0.00 0.50 0.00 0.00 46.19 45.86 1snf s LEU 5 CO 0.19 -0.31 1.50 0.00 -1.32 0.00 0.00 176.35 176.41 1snf s ALA 6 N 1.78 3.69 -0.02 5.97 0.00 -1.26 -4.95 121.76 126.97 1snf s ALA 6 Ca -0.00 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1snf s ALA 6 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1snf s ALA 6 CO -0.10 -0.74 -0.08 -1.50 0.00 0.00 0.00 175.76 173.34 1snf s ILE 7 N 1.26 0.67 -0.13 0.00 2.07 -1.26 -1.60 121.20 122.21 1snf s ILE 7 Ca 0.68 -0.32 -0.04 0.00 -1.41 0.00 0.00 60.65 59.56 1snf s ILE 7 Cb -0.40 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1snf s ILE 7 CO 0.31 0.21 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.85 1snf s VAL 8 N 0.08 4.24 -0.89 4.00 1.01 0.27 -4.98 120.40 124.13 1snf s VAL 8 Ca -0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1snf s VAL 8 Cb -0.06 -2.84 0.11 0.00 0.00 0.00 0.00 36.38 33.59 1snf s VAL 8 CO 0.00 0.53 1.13 -0.13 0.00 0.00 0.00 175.10 176.63 1snf s ARG 9 N -0.13 3.51 0.25 2.72 0.52 -1.26 -1.70 118.95 122.85 1snf s ARG 9 Ca 0.04 -1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 53.66 1snf s ARG 9 Cb -0.13 -4.83 0.25 0.00 0.52 0.00 0.00 34.95 30.76 1snf s ARG 9 CO 0.02 -1.82 1.91 -0.07 0.02 0.00 0.00 175.30 175.36 1snf h LEU 10 N 10.81 1.15 -8.27 2.53 3.38 -1.08 -3.35 115.31 120.48 1snf h LEU 10 Ca 0.08 -0.05 -0.73 0.00 0.09 0.00 0.00 57.88 57.27 1snf h LEU 10 Cb 1.03 -0.29 -0.24 0.00 0.09 0.00 0.00 40.66 41.25 1snf h LEU 10 CO 1.15 0.85 -0.40 -0.62 0.09 0.00 0.00 178.44 179.52 1snf s ASP 11 N -6.16 5.95 0.28 -0.43 -1.08 -0.69 -4.98 116.67 109.56 1snf s ASP 11 Ca -0.13 -1.31 0.25 0.00 -0.52 0.00 0.00 52.55 50.84 1snf s ASP 11 Cb 0.18 -2.11 0.96 0.00 -1.46 0.00 0.00 42.92 40.50 1snf s ASP 11 CO 0.82 -0.57 1.75 1.55 0.52 0.00 0.00 175.17 179.24 1snf h PRO 12 N 8.61 0.00 -0.35 4.34 0.13 -1.89 -3.17 132.00 139.67 1snf h PRO 12 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1snf h PRO 12 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1snf h PRO 12 CO 0.81 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 1snf n GLY 13 N 0.33 0.45 3.60 1.56 0.00 -1.26 -4.83 105.19 105.04 1snf n GLY 13 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.99 3.14 0.57 0.99 1.43 -1.20 -5.04 118.68 117.58 1snf s LEU 14 Ca 0.17 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 1snf s LEU 14 Cb 0.09 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1snf s LEU 14 CO 0.10 0.21 1.32 -2.84 0.23 0.00 0.00 176.35 175.37 1snf s PRO 15 N -2.00 2.99 0.22 1.29 0.02 -1.26 -4.97 135.00 131.30 1snf s PRO 15 Ca 0.21 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 1snf s PRO 15 Cb -0.11 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 1snf s PRO 15 CO 0.13 -1.28 1.36 -1.17 -0.33 0.00 0.00 177.00 175.71 1snf s LEU 16 N -3.77 4.40 0.43 -5.54 2.96 -1.26 -4.95 118.68 110.96 1snf s LEU 16 Ca 0.75 2.51 -0.23 0.00 -0.22 0.00 0.00 54.13 56.93 1snf s LEU 16 Cb -0.38 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.58 1snf s LEU 16 CO 0.44 -0.60 0.82 -2.65 -1.32 0.00 0.00 176.35 173.04 1snf n PRO 17 N 2.50 0.98 -3.88 0.98 -0.02 -1.26 -5.00 135.00 129.30 1snf n PRO 17 Ca 0.06 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1snf n PRO 17 Cb 0.42 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.87 0.13 -0.32 2.55 1.04 -1.26 -4.99 113.70 109.99 1snf s SER 18 Ca 0.64 -0.58 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 1snf s SER 18 Cb -0.57 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 1snf s SER 18 CO 0.56 -0.65 0.49 -0.60 0.98 0.00 0.00 173.24 174.02 1snf s ARG 19 N -3.37 3.79 0.17 4.02 3.52 -1.26 -3.70 118.95 122.12 1snf s ARG 19 Ca 0.01 -0.02 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 1snf s ARG 19 Cb 0.03 -3.75 0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1snf s ARG 19 CO -0.08 -0.51 1.66 0.00 -0.81 0.00 0.00 175.30 175.55 1snf h ALA 20 N 8.31 0.79 -3.48 6.12 0.00 -1.94 -3.43 119.26 125.62 1snf h ALA 20 Ca -0.29 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 1snf h ALA 20 Cb 1.13 -0.22 -0.24 0.00 0.00 0.00 0.00 17.79 18.46 1snf h ALA 20 CO 0.74 0.55 -0.74 -1.01 0.00 0.00 0.00 179.25 178.79 1snf s HIS 21 N -5.17 0.56 0.33 0.00 3.76 -1.26 -5.09 115.29 108.43 1snf s HIS 21 Ca -0.12 -0.32 0.12 0.00 -0.15 0.00 0.00 55.06 54.59 1snf s HIS 21 Cb 0.13 -0.34 1.01 0.00 1.11 0.00 0.00 32.58 34.49 1snf s HIS 21 CO 0.83 -0.05 1.67 -0.44 -0.85 0.00 0.00 174.74 175.90 1snf h ASP 22 N 5.17 0.49 -0.33 1.40 3.32 -2.02 -0.69 116.42 123.76 1snf h ASP 22 Ca -0.32 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1snf h ASP 22 Cb 1.20 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1snf h ASP 22 CO 0.45 -0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 1snf n GLY 23 N -1.30 1.62 3.69 2.75 0.00 -1.26 -5.01 105.19 105.68 1snf n GLY 23 Ca 0.30 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 1snf n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1snf n ASP 24 N 1.48 3.02 -0.19 1.61 8.00 -0.27 -4.92 116.55 125.27 1snf n ASP 24 Ca 0.18 1.15 -0.06 0.00 0.71 0.00 0.00 54.79 56.78 1snf n ASP 24 Cb 0.61 -1.47 0.11 0.00 -0.02 0.00 0.00 41.12 40.34 1snf n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1snf h ALA 25 N 4.18 1.04 -1.47 2.24 0.00 -1.95 -3.46 119.26 119.84 1snf h ALA 25 Ca -0.46 -0.24 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 1snf h ALA 25 Cb 1.26 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1snf h ALA 25 CO 0.75 0.62 -0.58 0.20 0.00 0.00 0.00 179.25 180.24 1snf s GLY 26 N -3.56 2.57 -0.07 0.00 0.00 -1.26 -4.45 107.32 100.54 1snf s GLY 26 Ca -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.59 1snf s GLY 26 CO 0.83 -2.10 -0.05 -1.34 0.00 0.00 0.00 173.10 170.43 1snf s VAL 27 N -2.73 3.84 0.30 1.40 -7.23 -0.67 -4.61 120.40 110.70 1snf s VAL 27 Ca 0.31 -0.42 -0.27 0.00 -1.81 0.00 0.00 61.98 59.79 1snf s VAL 27 Cb 0.08 -2.58 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1snf s VAL 27 CO 0.16 0.60 0.95 -1.81 -0.31 0.00 0.00 175.10 174.69 1snf s ASP 28 N -0.81 7.42 0.09 4.85 1.01 -1.24 -0.84 116.67 127.14 1snf s ASP 28 Ca 0.12 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.30 1snf s ASP 28 Cb -0.11 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1snf s ASP 28 CO 0.02 -0.01 0.04 -0.76 0.21 0.00 0.00 175.17 174.67 1snf s LEU 29 N -1.80 3.63 0.18 1.23 1.43 -0.24 -4.43 118.68 118.67 1snf s LEU 29 Ca 0.47 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1snf s LEU 29 Cb -0.21 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1snf s LEU 29 CO 0.26 0.17 0.09 -0.31 0.23 0.00 0.00 176.35 176.80 1snf s TYR 30 N -1.36 3.03 0.04 0.29 1.51 -1.26 -1.03 117.35 118.57 1snf s TYR 30 Ca 0.27 -0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.98 1snf s TYR 30 Cb -0.12 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1snf s TYR 30 CO 0.20 0.52 0.92 0.45 -1.11 0.00 0.00 175.55 176.54 1snf s SER 31 N -3.12 7.36 0.00 2.29 0.15 0.03 -4.27 113.70 116.15 1snf s SER 31 Ca 0.30 1.64 0.28 0.00 0.70 0.00 0.00 55.95 58.87 1snf s SER 31 Cb -0.10 -2.55 1.49 0.00 -1.71 0.00 0.00 66.02 63.16 1snf s SER 31 CO 0.22 -0.14 1.98 0.00 1.20 0.00 0.00 173.24 176.49 1snf n ALA 32 N 3.36 2.43 -2.62 5.45 0.00 -0.06 -1.20 120.51 127.87 1snf n ALA 32 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1snf n ALA 32 Cb 0.50 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 1snf n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1snf s GLU 33 N -2.39 0.69 -0.27 0.00 2.02 -1.26 -4.80 118.70 112.69 1snf s GLU 33 Ca 0.32 -0.98 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 1snf s GLU 33 Cb 0.19 -0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 1snf s GLU 33 CO 0.39 0.06 0.61 -0.51 0.02 0.00 0.00 175.26 175.83 1snf s ASP 34 N -2.08 6.53 0.01 -0.19 1.01 -1.26 -2.52 116.67 118.17 1snf s ASP 34 Ca -0.01 0.60 0.01 0.00 0.71 0.00 0.00 52.55 53.85 1snf s ASP 34 Cb -0.05 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 1snf s ASP 34 CO -0.01 -0.39 -0.03 -0.69 0.21 0.00 0.00 175.17 174.26 1snf s VAL 35 N 2.51 0.23 -0.19 -1.27 1.01 -0.75 -5.00 120.40 116.95 1snf s VAL 35 Ca 0.25 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1snf s VAL 35 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1snf s VAL 35 CO 0.10 -0.12 -0.04 -0.70 0.00 0.00 0.00 175.10 174.34 1snf s GLU 36 N -0.56 3.54 -0.30 2.72 2.12 -1.26 -0.01 118.70 124.95 1snf s GLU 36 Ca -0.04 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 54.65 1snf s GLU 36 Cb -0.04 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.39 1snf s GLU 36 CO -0.00 0.04 0.10 -0.51 -0.54 0.00 0.00 175.26 174.35 1snf s LEU 37 N 0.88 3.91 0.66 2.70 1.43 0.33 -4.97 118.68 123.63 1snf s LEU 37 Ca -0.00 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1snf s LEU 37 Cb -0.15 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 1snf s LEU 37 CO 0.01 -0.19 1.07 0.00 0.23 0.00 0.00 176.35 177.47 1snf s ALA 38 N 1.53 2.63 0.05 4.21 0.00 -1.26 -1.15 121.76 127.78 1snf s ALA 38 Ca 0.03 0.28 -0.34 0.00 0.00 0.00 0.00 51.96 51.92 1snf s ALA 38 Cb -0.17 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1snf s ALA 38 CO 0.03 -1.12 1.66 -2.30 0.00 0.00 0.00 175.76 174.03 1snf n PRO 39 N -2.66 2.03 -0.25 0.00 -0.02 -1.26 -1.60 135.00 131.23 1snf n PRO 39 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1snf n PRO 39 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.70 1.58 3.91 -1.23 0.00 0.83 -4.97 105.19 109.00 1snf n GLY 40 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.32 3.62 0.41 1.61 1.81 -0.63 -4.76 118.95 120.69 1snf s ARG 41 Ca 0.00 -0.02 0.05 0.00 -1.72 0.00 0.00 55.73 54.04 1snf s ARG 41 Cb 0.00 -2.66 -0.06 0.00 -0.45 0.00 0.00 34.95 31.78 1snf s ARG 41 CO 0.00 0.23 0.02 -0.98 -0.68 0.00 0.00 175.30 173.89 1snf s ARG 42 N -3.54 1.95 -0.08 3.54 1.70 -1.26 -1.36 118.95 119.90 1snf s ARG 42 Ca 0.43 -2.13 -0.30 0.00 -0.47 0.00 0.00 55.73 53.26 1snf s ARG 42 Cb -0.11 -1.43 0.07 0.00 -0.57 0.00 0.00 34.95 32.92 1snf s ARG 42 CO 0.30 -0.15 0.70 0.00 -1.08 0.00 0.00 175.30 175.07 1snf s ALA 43 N -2.87 -1.78 -0.43 7.88 0.00 0.11 -4.98 121.76 119.69 1snf s ALA 43 Ca 0.29 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 1snf s ALA 43 Cb 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1snf s ALA 43 CO 0.15 -0.36 0.44 -1.17 0.00 0.00 0.00 175.76 174.81 1snf s LEU 44 N -1.01 4.96 -0.25 0.00 2.96 -1.26 -1.17 118.68 122.91 1snf s LEU 44 Ca -0.09 -0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 52.96 1snf s LEU 44 Cb -0.01 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1snf s LEU 44 CO 0.09 -0.60 0.10 -0.69 -1.32 0.00 0.00 176.35 173.92 1snf s VAL 45 N 2.09 4.60 0.32 1.68 1.01 0.27 -4.90 120.40 125.47 1snf s VAL 45 Ca 0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1snf s VAL 45 Cb -0.18 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1snf s VAL 45 CO 0.13 0.33 1.35 -0.13 0.00 0.00 0.00 175.10 176.78 1snf s ARG 46 N 1.49 4.31 0.00 2.72 0.52 -1.26 -1.06 118.95 125.67 1snf s ARG 46 Ca 0.06 2.27 0.20 0.00 -0.52 0.00 0.00 55.73 57.74 1snf s ARG 46 Cb -0.15 -3.07 -0.17 0.00 0.52 0.00 0.00 34.95 32.08 1snf s ARG 46 CO 0.05 -0.27 0.91 0.25 0.02 0.00 0.00 175.30 176.25 1snf n THR 47 N 1.09 0.00 -0.92 0.02 -2.24 -0.79 -0.88 114.28 110.56 1snf n THR 47 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1snf n THR 47 Cb 0.41 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.46 0.64 3.17 3.38 0.00 -1.26 -4.42 105.19 108.15 1snf n GLY 48 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.43 0.86 0.06 1.61 -7.23 -1.26 -0.42 120.40 111.59 1snf s VAL 49 Ca 0.00 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1snf s VAL 49 Cb 0.00 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1snf s VAL 49 CO 0.00 -0.60 -0.13 0.00 -0.31 0.00 0.00 175.10 174.06 1snf s ALA 50 N -2.57 1.06 0.14 1.32 0.00 -0.69 -1.42 121.76 119.59 1snf s ALA 50 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1snf s ALA 50 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1snf s ALA 50 CO -0.01 0.14 -0.02 0.14 0.00 0.00 0.00 175.76 176.01 1snf s VAL 51 N -1.21 0.63 -0.63 0.00 -7.23 -1.26 -0.57 120.40 110.13 1snf s VAL 51 Ca -0.03 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1snf s VAL 51 Cb -0.10 -1.94 0.16 0.00 0.56 0.00 0.00 36.38 35.07 1snf s VAL 51 CO 0.02 -0.64 0.44 0.00 -0.31 0.00 0.00 175.10 174.61 1snf s ALA 52 N -3.68 3.59 0.08 1.32 0.00 -0.63 -4.54 121.76 117.91 1snf s ALA 52 Ca 0.19 -3.33 -0.31 0.00 0.00 0.00 0.00 51.96 48.52 1snf s ALA 52 Cb 0.06 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 1snf s ALA 52 CO 0.00 -2.11 1.78 0.08 0.00 0.00 0.00 175.76 175.52 1snf s VAL 53 N -0.23 2.83 0.69 0.00 1.01 -1.26 -4.40 120.40 119.05 1snf s VAL 53 Ca 0.18 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1snf s VAL 53 Cb -0.20 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1snf s VAL 53 CO -0.04 -0.00 1.26 -2.84 0.00 0.00 0.00 175.10 173.48 1snf s PRO 54 N 3.05 2.30 0.25 2.72 0.02 -1.26 -4.45 135.00 137.63 1snf s PRO 54 Ca 0.79 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 63.45 1snf s PRO 54 Cb -0.43 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.14 1snf s PRO 54 CO 0.35 -1.76 1.50 0.34 -0.33 0.00 0.00 177.00 177.10 1snf n PHE 55 N -2.32 2.44 -0.15 6.54 7.35 -1.26 -1.27 117.46 128.79 1snf n PHE 55 Ca 0.15 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1snf n PHE 55 Cb 0.49 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.80 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 2.32 0.82 3.51 7.13 0.00 -1.26 -5.06 105.19 112.66 1snf n GLY 56 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.68 1.79 -0.01 1.61 -1.94 -0.39 -1.64 119.30 118.04 1snf s MET 57 Ca 0.00 -2.03 -0.01 0.00 -1.71 0.00 0.00 55.69 51.94 1snf s MET 57 Cb 0.00 -1.00 0.00 0.00 2.01 0.00 0.00 34.83 35.84 1snf s MET 57 CO 0.00 -0.23 0.03 0.54 -0.01 0.00 0.00 175.02 175.35 1snf s VAL 58 N -3.16 0.01 0.04 -6.03 0.11 0.41 -4.30 120.40 107.48 1snf s VAL 58 Ca 0.32 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.19 1snf s VAL 58 Cb 0.07 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.80 1snf s VAL 58 CO 0.15 -0.03 0.40 -0.83 -3.33 0.00 0.00 175.10 171.45 1snf s GLY 59 N -0.08 2.39 -0.04 6.54 0.00 -0.50 -1.89 107.32 113.73 1snf s GLY 59 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.40 1snf s GLY 59 CO -0.00 -0.05 -0.06 1.08 0.00 0.00 0.00 173.10 174.06 1snf s LEU 60 N -1.58 1.47 -0.29 0.66 1.43 0.11 -0.24 118.68 120.24 1snf s LEU 60 Ca 0.29 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1snf s LEU 60 Cb -0.15 -0.52 -0.00 0.00 0.03 0.00 0.00 46.19 45.55 1snf s LEU 60 CO 0.16 -0.02 0.08 -0.69 0.23 0.00 0.00 176.35 176.11 1snf s VAL 61 N 0.73 4.09 0.17 -1.59 1.01 -0.16 -1.29 120.40 123.36 1snf s VAL 61 Ca -0.11 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1snf s VAL 61 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1snf s VAL 61 CO 0.01 0.14 -0.11 -1.00 0.00 0.00 0.00 175.10 174.13 1snf s HIS 62 N 1.53 2.61 0.75 5.22 3.76 0.28 -1.07 115.29 128.37 1snf s HIS 62 Ca 0.04 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 1snf s HIS 62 Cb -0.17 -1.29 0.04 0.00 1.11 0.00 0.00 32.58 32.27 1snf s HIS 62 CO 0.03 0.49 1.08 -2.14 -0.85 0.00 0.00 174.74 173.35 1snf s PRO 63 N -2.71 2.49 0.08 8.40 0.02 -1.26 -0.86 135.00 141.16 1snf s PRO 63 Ca 0.24 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.89 1snf s PRO 63 Cb -0.09 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1snf s PRO 63 CO 0.14 -1.38 0.56 1.03 -0.33 0.00 0.00 177.00 177.02 1snf s ARG 64 N -5.09 4.16 0.05 5.54 0.52 -1.26 -4.68 118.95 118.19 1snf s ARG 64 Ca 0.59 0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 56.36 1snf s ARG 64 Cb -0.14 -3.19 -0.32 0.00 0.52 0.00 0.00 34.95 31.82 1snf s ARG 64 CO 0.55 0.62 1.06 0.66 0.02 0.00 0.00 175.30 178.21 1snf h SER 65 N 4.39 0.81 0.36 0.23 4.64 -1.97 -2.74 113.55 119.27 1snf h SER 65 Ca -0.50 -0.81 -0.01 0.00 -0.47 0.00 0.00 61.79 60.00 1snf h SER 65 Cb 1.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1snf h SER 65 CO 0.64 1.62 -0.24 1.23 -0.87 0.00 0.00 176.83 179.21 1snf h GLY 66 N 0.41 -0.61 1.85 -0.77 0.00 -2.00 -2.48 103.07 99.48 1snf h GLY 66 Ca -0.21 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1snf h GLY 66 CO 0.25 -0.23 -0.10 1.41 0.00 0.00 0.00 176.54 177.87 1snf h LEU 67 N -0.58 0.17 0.25 3.11 3.38 -1.94 -1.39 115.31 118.32 1snf h LEU 67 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1snf h LEU 67 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1snf h LEU 67 CO 0.03 0.30 -0.20 0.00 0.09 0.00 0.00 178.44 178.66 1snf h ALA 68 N 1.72 -0.43 -0.10 1.53 0.00 -1.26 -2.42 119.26 118.30 1snf h ALA 68 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1snf h ALA 68 Cb 0.30 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1snf h ALA 68 CO 0.02 -0.76 -0.15 1.15 0.00 0.00 0.00 179.25 179.51 1snf h THR 69 N -0.45 1.38 -0.34 0.00 2.02 -1.30 -1.30 112.91 112.92 1snf h THR 69 Ca -0.01 -1.38 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 1snf h THR 69 Cb 0.40 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1snf h THR 69 CO -0.01 0.39 -0.17 0.03 0.37 0.00 0.00 175.52 176.13 1snf h ARG 70 N -0.16 0.62 0.00 6.66 3.08 -1.30 -3.36 114.38 119.92 1snf h ARG 70 Ca 0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1snf h ARG 70 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1snf h ARG 70 CO 0.03 0.76 0.00 1.33 -1.07 0.00 0.00 179.97 181.02 1snf n VAL 71 N -4.15 0.00 -1.81 2.04 0.24 -0.93 -5.03 118.33 108.69 1snf n VAL 71 Ca 0.01 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.05 1snf n VAL 71 Cb 0.37 1.43 -0.01 0.00 -1.47 0.00 0.00 33.84 34.17 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 0.11 0.35 3.71 7.63 0.00 -0.49 -4.30 105.19 112.21 1snf n GLY 72 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.54 4.40 0.00 0.99 2.96 -1.13 -0.78 118.68 123.57 1snf s LEU 73 Ca 0.00 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 1snf s LEU 73 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1snf s LEU 73 CO 0.00 -0.22 0.16 -0.24 -1.32 0.00 0.00 176.35 174.73 1snf n SER 74 N 3.64 0.05 -3.96 3.68 2.88 -0.17 -3.90 113.62 115.85 1snf n SER 74 Ca 0.05 -2.47 -0.25 0.00 -1.33 0.00 0.00 58.87 54.87 1snf n SER 74 Cb 0.50 0.99 -0.17 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.80 1.02 0.19 2.46 1.01 -1.26 -1.80 121.20 120.02 1snf s ILE 75 Ca 0.23 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1snf s ILE 75 Cb 0.01 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.52 1snf s ILE 75 CO 0.16 0.35 1.60 0.58 0.00 0.00 0.00 174.94 177.63 1snf h VAL 76 N 6.08 1.27 -0.61 2.92 2.07 -1.51 -2.30 116.25 124.18 1snf h VAL 76 Ca -0.31 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1snf h VAL 76 Cb 1.16 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1snf h VAL 76 CO 0.44 0.45 0.00 -0.46 0.02 0.00 0.00 177.57 178.02 1snf n ASN 77 N -4.12 5.44 -4.63 0.57 6.94 -1.26 -4.99 115.26 113.20 1snf n ASN 77 Ca 0.01 -2.76 -0.48 0.00 -0.02 0.00 0.00 54.58 51.32 1snf n ASN 77 Cb 0.43 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.15 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 0.82 2.31 -4.70 0.53 2.88 -0.87 -2.89 113.62 111.70 1snf n SER 78 Ca 0.27 1.11 -0.41 0.00 -1.33 0.00 0.00 58.87 58.51 1snf n SER 78 Cb 1.10 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.33 4.46 0.25 -1.46 0.04 -1.26 -5.08 135.00 132.27 1snf s PRO 79 Ca 0.78 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 1snf s PRO 79 Cb -0.78 -3.49 -0.11 0.00 0.04 0.00 0.00 34.50 30.15 1snf s PRO 79 CO 0.45 -0.13 1.62 0.20 0.04 0.00 0.00 177.00 179.19 1snf s GLY 80 N 1.00 1.79 -0.27 0.56 0.00 -0.24 -4.74 107.32 105.42 1snf s GLY 80 Ca 0.45 1.54 -0.08 0.00 0.00 0.00 0.00 44.72 46.63 1snf s GLY 80 CO 0.21 2.65 0.11 -1.59 0.00 0.00 0.00 173.10 174.47 1snf s THR 81 N 0.48 4.51 -0.38 0.90 2.01 -1.26 -0.99 115.64 120.91 1snf s THR 81 Ca 0.67 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.41 1snf s THR 81 Cb -0.48 -3.17 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1snf s THR 81 CO 0.41 0.25 0.16 -0.63 -0.69 0.00 0.00 174.62 174.12 1snf s ILE 82 N 1.63 3.59 0.55 1.82 -1.09 0.66 -5.00 121.20 123.36 1snf s ILE 82 Ca 0.06 -1.58 -0.17 0.00 -2.23 0.00 0.00 60.65 56.73 1snf s ILE 82 Cb -0.16 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.43 1snf s ILE 82 CO 0.05 -0.44 1.04 -1.81 -1.23 0.00 0.00 174.94 172.56 1snf s ASP 83 N 1.74 6.05 0.48 3.58 1.01 -1.26 -1.41 116.67 126.86 1snf s ASP 83 Ca 0.02 1.84 0.19 0.00 0.71 0.00 0.00 52.55 55.31 1snf s ASP 83 Cb -0.22 -2.54 1.21 0.00 1.01 0.00 0.00 42.92 42.38 1snf s ASP 83 CO -0.01 -0.98 1.98 0.00 0.21 0.00 0.00 175.17 176.37 1snf h ALA 84 N 0.88 2.26 -0.02 5.23 0.00 -1.78 -1.63 119.26 124.21 1snf h ALA 84 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1snf h ALA 84 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1snf h ALA 84 CO 0.58 -0.42 -0.03 0.41 0.00 0.00 0.00 179.25 179.80 1snf n GLY 85 N -1.58 0.13 3.70 0.00 0.00 -1.26 -4.20 105.19 101.98 1snf n GLY 85 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.05 3.15 0.00 1.61 5.04 -0.61 -4.91 117.35 119.57 1snf s TYR 86 Ca 0.35 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1snf s TYR 86 Cb 0.21 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1snf s TYR 86 CO 0.35 -1.79 0.71 0.54 -1.34 0.00 0.00 175.55 174.02 1snf n ARG 87 N 4.79 1.16 -1.90 4.97 5.12 -1.26 -4.62 116.66 124.91 1snf n ARG 87 Ca 0.11 -0.95 -0.30 0.00 -1.93 0.00 0.00 57.85 54.78 1snf n ARG 87 Cb 0.45 -0.90 0.17 0.00 -1.16 0.00 0.00 32.46 31.02 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 -0.49 1.75 0.19 -0.13 0.00 -1.26 -4.82 107.32 102.57 1snf s GLY 88 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 1snf s GLY 88 CO 0.00 -0.38 1.43 1.85 0.00 0.00 0.00 173.10 176.00 1snf s GLU 89 N -5.83 4.29 -0.10 2.90 2.12 -1.26 -4.41 118.70 116.40 1snf s GLU 89 Ca 0.72 2.22 -0.30 0.00 0.36 0.00 0.00 54.97 57.98 1snf s GLU 89 Cb -0.05 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1snf s GLU 89 CO 0.53 -0.43 1.41 0.42 -0.54 0.00 0.00 175.26 176.64 1snf s ILE 90 N 0.48 3.98 -0.03 -3.70 1.01 -0.51 -5.00 121.20 117.44 1snf s ILE 90 Ca 0.62 1.21 0.07 0.00 0.00 0.00 0.00 60.65 62.56 1snf s ILE 90 Cb -0.40 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1snf s ILE 90 CO 0.37 -0.09 -0.24 -0.54 0.00 0.00 0.00 174.94 174.44 1snf s LYS 91 N 3.48 2.20 -0.16 2.79 1.02 -1.26 -1.89 119.74 125.92 1snf s LYS 91 Ca 0.62 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 1snf s LYS 91 Cb -0.27 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1snf s LYS 91 CO 0.21 0.55 -0.10 0.08 -0.92 0.00 0.00 175.35 175.18 1snf s VAL 92 N -0.59 3.24 -1.17 3.17 1.01 -0.22 -4.89 120.40 120.96 1snf s VAL 92 Ca 0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1snf s VAL 92 Cb -0.10 -2.40 0.17 0.00 0.00 0.00 0.00 36.38 34.04 1snf s VAL 92 CO -0.00 0.50 1.39 0.00 0.00 0.00 0.00 175.10 176.98 1snf s ALA 93 N 0.65 3.92 0.48 5.51 0.00 -1.26 -0.57 121.76 130.49 1snf s ALA 93 Ca -0.05 -3.28 -0.20 0.00 0.00 0.00 0.00 51.96 48.42 1snf s ALA 93 Cb -0.15 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.77 1snf s ALA 93 CO 0.02 -2.80 1.02 -0.51 0.00 0.00 0.00 175.76 173.50 1snf s LEU 94 N 1.70 3.86 -0.13 0.00 1.43 -0.32 -1.26 118.68 123.96 1snf s LEU 94 Ca 0.41 1.88 -0.09 0.00 -1.03 0.00 0.00 54.13 55.30 1snf s LEU 94 Cb -0.03 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.68 1snf s LEU 94 CO -0.01 -0.71 0.33 -0.51 0.23 0.00 0.00 176.35 175.68 1snf s ILE 95 N -2.03 -0.02 -0.56 -0.59 2.07 -0.74 -0.71 121.20 118.61 1snf s ILE 95 Ca 0.66 0.08 -0.21 0.00 -1.41 0.00 0.00 60.65 59.77 1snf s ILE 95 Cb -0.15 -0.48 0.07 0.00 0.13 0.00 0.00 42.46 42.02 1snf s ILE 95 CO 0.19 0.03 0.77 0.21 -1.91 0.00 0.00 174.94 174.23 1snf s ASN 96 N 0.90 6.23 0.00 4.50 2.47 -0.46 -1.00 114.94 127.58 1snf s ASN 96 Ca -0.06 -0.93 0.15 0.00 0.42 0.00 0.00 52.86 52.44 1snf s ASN 96 Cb -0.07 -2.35 0.54 0.00 -1.45 0.00 0.00 41.25 37.92 1snf s ASN 96 CO -0.07 -1.11 1.40 0.18 -3.72 0.00 0.00 177.10 173.78 1snf n LEU 97 N 6.76 1.46 -4.77 3.21 4.77 0.04 -0.12 117.00 128.35 1snf n LEU 97 Ca -0.05 -0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 1snf n LEU 97 Cb 0.45 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1snf n LEU 97 CO 0.59 0.34 0.79 -0.62 -1.33 0.00 0.00 177.39 177.15 1snf s ASP 98 N -1.29 7.06 0.42 -1.43 2.15 -1.26 -4.88 116.67 117.45 1snf s ASP 98 Ca 0.26 2.24 0.18 0.00 0.43 0.00 0.00 52.55 55.66 1snf s ASP 98 Cb 0.13 -2.62 0.95 0.00 -0.30 0.00 0.00 42.92 41.09 1snf s ASP 98 CO 0.19 -0.29 1.89 -0.65 -0.17 0.00 0.00 175.17 176.15 1snf h PRO 99 N 3.39 0.00 0.00 4.34 0.11 -1.95 -3.26 132.00 134.63 1snf h PRO 99 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1snf h PRO 99 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1snf h PRO 99 CO 0.65 0.28 -0.25 0.00 -0.21 0.00 0.00 178.00 178.48 1snf n ALA 100 N -2.38 0.97 -2.85 -0.75 0.00 -1.26 -4.87 120.51 109.37 1snf n ALA 100 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1snf n ALA 100 Cb 0.36 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.97 3.16 0.84 0.00 0.00 -1.26 -4.82 121.76 118.71 1snf s ALA 101 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1snf s ALA 101 Cb 0.00 -1.61 0.10 0.00 0.00 0.00 0.00 23.12 21.61 1snf s ALA 101 CO 0.00 0.31 1.17 -2.14 0.00 0.00 0.00 175.76 175.10 1snf s PRO 102 N 0.03 1.45 -0.16 0.00 0.01 -1.26 -4.38 135.00 130.69 1snf s PRO 102 Ca 0.02 1.64 0.00 0.00 0.01 0.00 0.00 61.00 62.67 1snf s PRO 102 Cb -0.13 -1.77 0.00 0.00 0.01 0.00 0.00 34.50 32.61 1snf s PRO 102 CO 0.02 -2.33 -0.15 0.42 0.01 0.00 0.00 177.00 174.97 1snf s ILE 103 N -2.38 2.63 -0.22 2.83 1.01 -0.30 -4.96 121.20 119.80 1snf s ILE 103 Ca 0.70 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1snf s ILE 103 Cb -0.26 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1snf s ILE 103 CO 0.53 0.51 0.38 -0.69 0.00 0.00 0.00 174.94 175.67 1snf s VAL 104 N 0.93 5.20 -0.20 2.92 1.01 -1.26 -0.51 120.40 128.49 1snf s VAL 104 Ca -0.03 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 1snf s VAL 104 Cb -0.15 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1snf s VAL 104 CO -0.02 0.23 -0.03 -0.69 0.00 0.00 0.00 175.10 174.59 1snf s VAL 105 N 1.50 3.62 0.08 2.92 1.01 0.98 -5.01 120.40 125.51 1snf s VAL 105 Ca 0.17 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1snf s VAL 105 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1snf s VAL 105 CO 0.08 0.44 0.19 -1.00 0.00 0.00 0.00 175.10 174.81 1snf s HIS 106 N 1.06 3.43 0.15 5.22 3.76 -1.26 -1.82 115.29 125.85 1snf s HIS 106 Ca 0.01 0.19 -0.32 0.00 -0.15 0.00 0.00 55.06 54.79 1snf s HIS 106 Cb -0.15 -1.71 -0.12 0.00 1.11 0.00 0.00 32.58 31.71 1snf s HIS 106 CO 0.00 0.56 1.73 -2.13 -0.85 0.00 0.00 174.74 174.06 1snf n ARG 107 N 0.18 2.60 0.00 1.40 0.63 -1.05 -0.83 116.66 119.60 1snf n ARG 107 Ca -0.06 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1snf n ARG 107 Cb 0.52 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.64 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 3.94 2.90 3.76 5.14 0.00 -0.34 -4.97 105.19 115.63 1snf n GLY 108 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.21 5.29 -0.17 1.61 1.01 -0.01 -4.73 116.67 118.46 1snf s ASP 109 Ca 0.00 2.17 -0.23 0.00 0.71 0.00 0.00 52.55 55.20 1snf s ASP 109 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1snf s ASP 109 CO 0.00 -1.51 0.72 -0.13 0.21 0.00 0.00 175.17 174.46 1snf s ARG 110 N -3.61 4.27 0.00 8.23 0.52 -1.26 -0.79 118.95 126.31 1snf s ARG 110 Ca 0.72 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 1snf s ARG 110 Cb -0.24 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.66 1snf s ARG 110 CO 0.34 -0.25 0.00 0.44 0.02 0.00 0.00 175.30 175.86 1snf n ILE 111 N 4.62 0.00 -3.83 1.52 -5.35 -0.19 -4.95 119.36 111.18 1snf n ILE 111 Ca 0.01 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1snf n ILE 111 Cb 0.49 0.74 0.02 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.46 -1.02 0.12 -1.28 0.00 -1.23 -4.49 121.76 112.39 1snf s ALA 112 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1snf s ALA 112 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1snf s ALA 112 CO 0.00 -1.01 -0.16 1.14 0.00 0.00 0.00 175.76 175.73 1snf s GLN 113 N -2.51 1.06 -0.22 0.00 -2.07 -0.04 -1.08 119.66 114.81 1snf s GLN 113 Ca 0.16 -1.22 -0.01 0.00 -1.82 0.00 0.00 55.36 52.47 1snf s GLN 113 Cb -0.04 -1.07 0.01 0.00 -1.09 0.00 0.00 33.01 30.82 1snf s GLN 113 CO 0.09 0.22 -0.10 -1.17 -1.32 0.00 0.00 175.29 173.02 1snf s LEU 114 N -2.30 2.80 0.03 2.60 2.96 -0.02 -0.56 118.68 124.19 1snf s LEU 114 Ca 0.08 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1snf s LEU 114 Cb -0.07 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1snf s LEU 114 CO 0.04 -0.06 0.03 -0.76 -1.32 0.00 0.00 176.35 174.28 1snf s LEU 115 N 1.36 3.62 -0.12 -0.68 1.02 -0.41 -1.67 118.68 121.79 1snf s LEU 115 Ca 0.03 -0.01 0.03 0.00 0.02 0.00 0.00 54.13 54.20 1snf s LEU 115 Cb -0.15 -2.17 0.01 0.00 0.02 0.00 0.00 46.19 43.90 1snf s LEU 115 CO -0.07 0.24 -0.21 -0.69 0.02 0.00 0.00 176.35 175.64 1snf s VAL 116 N -1.20 1.94 0.09 -1.59 1.01 -1.26 0.04 120.40 119.44 1snf s VAL 116 Ca 0.23 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1snf s VAL 116 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1snf s VAL 116 CO 0.14 0.53 -0.10 -1.10 0.00 0.00 0.00 175.10 174.57 1snf s GLN 117 N 0.63 0.83 0.63 2.72 -0.21 -0.79 -4.99 119.66 118.48 1snf s GLN 117 Ca -0.12 -1.12 -0.18 0.00 0.02 0.00 0.00 55.36 53.95 1snf s GLN 117 Cb -0.16 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 33.28 1snf s GLN 117 CO 0.03 0.09 1.26 1.03 -2.12 0.00 0.00 175.29 175.57 1snf s ARG 118 N -2.64 2.70 0.04 2.91 0.52 -1.26 -0.44 118.95 120.78 1snf s ARG 118 Ca 0.04 1.96 0.04 0.00 -0.52 0.00 0.00 55.73 57.25 1snf s ARG 118 Cb -0.04 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1snf s ARG 118 CO 0.00 -1.45 -0.13 0.54 0.02 0.00 0.00 175.30 174.28 1snf s VAL 119 N -1.50 1.03 -0.43 3.52 0.11 -0.65 -4.76 120.40 117.72 1snf s VAL 119 Ca 0.80 -0.96 -0.22 0.00 -2.93 0.00 0.00 61.98 58.67 1snf s VAL 119 Cb -0.34 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 1snf s VAL 119 CO 0.37 -0.02 0.71 -1.61 -3.33 0.00 0.00 175.10 171.22 1snf s GLU 120 N -1.12 3.42 -1.43 1.54 0.41 -1.26 -4.68 118.70 115.58 1snf s GLU 120 Ca 0.01 -0.16 -0.14 0.00 -0.41 0.00 0.00 54.97 54.28 1snf s GLU 120 Cb -0.08 -3.92 0.06 0.00 -1.78 0.00 0.00 34.13 28.41 1snf s GLU 120 CO 0.01 -1.01 2.17 1.28 -0.49 0.00 0.00 175.26 177.22 1snf n LEU 121 N 6.44 6.77 -4.78 1.80 4.77 -1.26 -4.96 117.00 125.78 1snf n LEU 121 Ca 0.00 -4.20 -0.41 0.00 -0.03 0.00 0.00 56.01 51.38 1snf n LEU 121 Cb 0.48 -1.64 -0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1snf n LEU 121 CO 0.55 1.11 1.13 0.68 -1.33 0.00 0.00 177.39 179.53 1snf s VAL 122 N 2.88 2.09 -0.29 4.08 -7.23 -1.26 -5.00 120.40 115.67 1snf s VAL 122 Ca 0.46 0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.54 1snf s VAL 122 Cb 0.13 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1snf s VAL 122 CO -0.07 0.02 0.55 -0.70 -0.31 0.00 0.00 175.10 174.59 1snf s GLU 123 N -2.08 3.95 -0.00 4.82 2.12 -1.26 -5.04 118.70 121.21 1snf s GLU 123 Ca 0.53 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 1snf s GLU 123 Cb -0.46 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 1snf s GLU 123 CO 0.63 -0.46 1.05 -0.51 -0.54 0.00 0.00 175.26 175.43 1snf s LEU 124 N 2.41 4.35 -0.13 2.70 1.02 -1.26 -5.02 118.68 122.75 1snf s LEU 124 Ca 0.22 1.74 -0.00 0.00 0.02 0.00 0.00 54.13 56.11 1snf s LEU 124 Cb -0.15 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.51 1snf s LEU 124 CO 0.10 -0.35 -0.10 -0.69 0.02 0.00 0.00 176.35 175.33 1snf s VAL 125 N 1.22 1.24 0.17 -1.59 1.01 -1.26 -5.11 120.40 116.08 1snf s VAL 125 Ca 0.53 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1snf s VAL 125 Cb -0.23 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 1snf s VAL 125 CO 0.27 0.39 1.27 -0.70 0.00 0.00 0.00 175.10 176.32 1snf s GLU 126 N 1.62 4.42 0.24 2.72 2.12 -1.26 -5.04 118.70 123.52 1snf s GLU 126 Ca 0.05 1.96 0.09 0.00 0.36 0.00 0.00 54.97 57.43 1snf s GLU 126 Cb -0.13 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1snf s GLU 126 CO -0.09 -0.22 -0.15 0.14 -0.54 0.00 0.00 175.26 174.40 1snf s VAL 127 N 0.26 1.96 0.08 3.70 -7.23 -1.26 -5.05 120.40 112.87 1snf s VAL 127 Ca 0.56 -2.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1snf s VAL 127 Cb -0.34 -2.17 -0.24 0.00 0.56 0.00 0.00 36.38 34.19 1snf s VAL 127 CO 0.36 -0.51 1.19 0.77 -0.31 0.00 0.00 175.10 176.61 1snf h SER 128 N 2.44 0.78 -5.04 4.85 4.64 -2.10 -3.47 113.55 115.66 1snf h SER 128 Ca -0.39 -0.66 0.07 0.00 -0.47 0.00 0.00 61.79 60.34 1snf h SER 128 Cb 1.23 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 63.02 1snf h SER 128 CO 0.62 1.47 0.27 -0.94 -0.87 0.00 0.00 176.83 177.38 1snf s SER 129 N -7.27 -0.29 0.22 4.97 1.04 -1.26 -5.17 113.70 105.94 1snf s SER 129 Ca -0.08 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 1snf s SER 129 Cb 0.07 0.67 -0.07 0.00 0.10 0.00 0.00 66.02 66.79 1snf s SER 129 CO 0.91 -1.23 0.55 -0.36 0.98 0.00 0.00 173.24 174.09 1snf s PHE 130 N -3.80 3.45 -0.06 5.02 2.99 -1.26 -5.05 117.98 119.27 1snf s PHE 130 Ca 0.10 0.90 -0.30 0.00 0.00 0.00 0.00 56.93 57.63 1snf s PHE 130 Cb -0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 1snf s PHE 130 CO 0.03 0.29 1.45 0.34 -0.00 0.00 0.00 175.22 177.33 1snf s ASP 131 N -2.26 6.82 0.00 1.36 3.68 -1.26 -5.27 116.67 119.74 1snf s ASP 131 Ca 0.46 2.04 0.26 0.00 2.13 0.00 0.00 52.55 57.44 1snf s ASP 131 Cb -0.12 -2.55 0.54 0.00 -1.45 0.00 0.00 42.92 39.35 1snf s ASP 131 CO 0.21 -0.80 1.46 -1.84 0.13 0.00 0.00 175.17 174.33