#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjn s THR 3 N 0.00 3.86 0.10 2.46 2.01 -1.26 -5.06 115.64 117.75 1sjn s THR 3 Ca 0.00 1.70 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 1sjn s THR 3 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1sjn s THR 3 CO 0.00 0.34 0.27 0.42 -0.69 0.00 0.00 174.62 174.96 1sjn s THR 4 N -0.60 5.31 -0.16 -0.82 -4.23 -1.26 -5.09 115.64 108.79 1sjn s THR 4 Ca 0.47 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1sjn s THR 4 Cb -0.29 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 69.95 1sjn s THR 4 CO 0.35 0.06 -0.00 -0.22 -0.54 0.00 0.00 174.62 174.27 1sjn s LEU 5 N -2.71 1.26 0.15 4.79 2.96 -1.26 -4.84 118.68 119.02 1sjn s LEU 5 Ca 0.37 -0.63 -0.31 0.00 -0.22 0.00 0.00 54.13 53.34 1sjn s LEU 5 Cb -0.12 -0.69 -0.08 0.00 0.50 0.00 0.00 46.19 45.79 1sjn s LEU 5 CO 0.27 -0.24 1.34 0.00 -1.32 0.00 0.00 176.35 176.40 1sjn s ALA 6 N 1.79 3.55 -0.02 5.97 0.00 -1.26 -4.94 121.76 126.85 1sjn s ALA 6 Ca 0.01 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1sjn s ALA 6 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1sjn s ALA 6 CO -0.07 -0.56 -0.03 -1.50 0.00 0.00 0.00 175.76 173.60 1sjn s ILE 7 N 0.68 0.30 -0.17 0.00 2.07 -1.26 -1.99 121.20 120.83 1sjn s ILE 7 Ca 0.61 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.72 1sjn s ILE 7 Cb -0.36 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1sjn s ILE 7 CO 0.33 0.13 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.79 1sjn s VAL 8 N 0.41 4.04 -0.78 4.00 1.01 0.06 -4.99 120.40 124.16 1sjn s VAL 8 Ca -0.04 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1sjn s VAL 8 Cb -0.07 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1sjn s VAL 8 CO -0.01 0.47 1.13 -0.13 0.00 0.00 0.00 175.10 176.57 1sjn s ARG 9 N 0.51 3.28 0.33 2.72 0.52 -1.26 -1.75 118.95 123.30 1sjn s ARG 9 Ca -0.02 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1sjn s ARG 9 Cb -0.14 -4.50 0.58 0.00 0.52 0.00 0.00 34.95 31.41 1sjn s ARG 9 CO 0.02 -1.93 1.91 -0.07 0.02 0.00 0.00 175.30 175.24 1sjn h LEU 10 N 11.74 0.62 -8.09 2.53 3.38 -1.31 -3.35 115.31 120.83 1sjn h LEU 10 Ca -0.14 -0.08 -0.71 0.00 0.09 0.00 0.00 57.88 57.03 1sjn h LEU 10 Cb 1.05 -0.16 -0.28 0.00 0.09 0.00 0.00 40.66 41.36 1sjn h LEU 10 CO 1.22 0.59 -0.47 -0.62 0.09 0.00 0.00 178.44 179.25 1sjn s ASP 11 N -6.64 5.60 0.12 -0.43 -1.08 -0.64 -4.96 116.67 108.64 1sjn s ASP 11 Ca -0.09 -1.55 0.22 0.00 -0.52 0.00 0.00 52.55 50.61 1sjn s ASP 11 Cb 0.16 -1.97 0.88 0.00 -1.46 0.00 0.00 42.92 40.52 1sjn s ASP 11 CO 0.77 -0.54 1.68 -0.81 0.52 0.00 0.00 175.17 176.79 1sjn n PRO 12 N 4.89 0.10 0.00 4.34 -0.04 -1.26 -2.89 135.00 140.15 1sjn n PRO 12 Ca -0.10 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1sjn n PRO 12 Cb 0.43 -1.67 0.61 0.00 -0.04 0.00 0.00 33.50 32.84 1sjn n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sjn n GLY 13 N 0.49 -1.42 3.92 0.55 0.00 -1.26 -4.84 105.19 102.62 1sjn n GLY 13 Ca 0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1sjn n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjn s LEU 14 N -2.90 4.32 0.65 0.99 1.43 -1.14 -5.08 118.68 116.94 1sjn s LEU 14 Ca 0.17 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 1sjn s LEU 14 Cb 0.19 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1sjn s LEU 14 CO 0.53 0.10 1.18 -2.84 0.23 0.00 0.00 176.35 175.55 1sjn s PRO 15 N -2.69 2.70 0.23 1.29 0.02 -1.26 -4.98 135.00 130.31 1sjn s PRO 15 Ca 0.37 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1sjn s PRO 15 Cb -0.12 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1sjn s PRO 15 CO 0.27 -1.39 1.34 -1.17 -0.33 0.00 0.00 177.00 175.72 1sjn s LEU 16 N -4.55 4.42 0.42 -5.54 2.96 -1.26 -4.92 118.68 110.19 1sjn s LEU 16 Ca 0.74 2.51 -0.24 0.00 -0.22 0.00 0.00 54.13 56.92 1sjn s LEU 16 Cb -0.28 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.68 1sjn s LEU 16 CO 0.38 -0.56 0.88 -2.65 -1.32 0.00 0.00 176.35 173.08 1sjn n PRO 17 N 2.23 1.10 -3.86 0.98 -0.02 -1.26 -5.01 135.00 129.15 1sjn n PRO 17 Ca 0.05 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 1sjn n PRO 17 Cb 0.42 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 1sjn n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjn s SER 18 N -0.81 0.02 -0.47 2.55 1.04 -1.26 -4.93 113.70 109.84 1sjn s SER 18 Ca 0.63 -0.69 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 1sjn s SER 18 Cb -0.58 0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1sjn s SER 18 CO 0.57 -0.83 1.28 -0.13 0.98 0.00 0.00 173.24 175.11 1sjn s ARG 19 N -3.90 3.60 0.33 4.02 0.52 -1.26 -3.24 118.95 119.03 1sjn s ARG 19 Ca 0.10 0.67 0.12 0.00 -0.52 0.00 0.00 55.73 56.10 1sjn s ARG 19 Cb 0.04 -3.98 0.98 0.00 0.52 0.00 0.00 34.95 32.50 1sjn s ARG 19 CO -0.06 -1.54 1.71 0.00 0.02 0.00 0.00 175.30 175.43 1sjn h ALA 20 N 10.02 1.89 -2.28 2.13 0.00 -1.96 -3.43 119.26 125.63 1sjn h ALA 20 Ca -0.25 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1sjn h ALA 20 Cb 1.08 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1sjn h ALA 20 CO 1.12 -0.41 -0.64 -1.01 0.00 0.00 0.00 179.25 178.31 1sjn s HIS 21 N -5.71 0.49 0.34 0.00 3.76 -1.26 -5.11 115.29 107.79 1sjn s HIS 21 Ca -0.10 -1.01 -0.29 0.00 -0.15 0.00 0.00 55.06 53.50 1sjn s HIS 21 Cb 0.28 -0.35 -0.11 0.00 1.11 0.00 0.00 32.58 33.51 1sjn s HIS 21 CO 0.80 -0.41 1.50 -0.51 -0.85 0.00 0.00 174.74 175.27 1sjn s ASP 22 N -2.92 6.41 0.00 1.40 1.01 -1.26 -2.10 116.67 119.22 1sjn s ASP 22 Ca 0.07 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1sjn s ASP 22 Cb 0.08 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1sjn s ASP 22 CO -0.10 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.05 1sjn n GLY 23 N 1.09 1.85 3.77 0.21 0.00 -1.26 -5.01 105.19 105.85 1sjn n GLY 23 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1sjn n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjn s ASP 24 N -3.34 6.13 0.30 1.61 1.11 -0.89 -4.90 116.67 116.69 1sjn s ASP 24 Ca 0.00 3.03 0.07 0.00 0.18 0.00 0.00 52.55 55.83 1sjn s ASP 24 Cb 0.00 -2.66 0.47 0.00 1.07 0.00 0.00 42.92 41.80 1sjn s ASP 24 CO 0.00 -1.01 1.71 0.00 1.18 0.00 0.00 175.17 177.04 1sjn h ALA 25 N 2.72 1.12 -2.30 5.23 0.00 -1.95 -3.47 119.26 120.62 1sjn h ALA 25 Ca -0.51 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 53.62 1sjn h ALA 25 Cb 1.25 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1sjn h ALA 25 CO 0.63 0.58 -0.60 0.20 0.00 0.00 0.00 179.25 180.06 1sjn s GLY 26 N -4.23 1.81 -0.02 0.00 0.00 -1.26 -4.54 107.32 99.08 1sjn s GLY 26 Ca -0.04 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 42.86 1sjn s GLY 26 CO 0.77 -1.61 -0.09 -1.34 0.00 0.00 0.00 173.10 170.82 1sjn s VAL 27 N -3.70 3.46 0.20 1.40 -7.23 -0.41 -4.47 120.40 109.66 1sjn s VAL 27 Ca 0.37 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 1sjn s VAL 27 Cb 0.07 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 1sjn s VAL 27 CO 0.14 0.49 0.85 -1.81 -0.31 0.00 0.00 175.10 174.46 1sjn s ASP 28 N -1.10 7.48 -0.09 4.85 1.01 -1.20 -0.21 116.67 127.42 1sjn s ASP 28 Ca 0.14 1.77 -0.07 0.00 0.71 0.00 0.00 52.55 55.10 1sjn s ASP 28 Cb -0.11 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1sjn s ASP 28 CO 0.04 0.17 0.18 -0.76 0.21 0.00 0.00 175.17 175.01 1sjn s LEU 29 N -1.22 4.40 0.22 1.23 1.43 0.02 -4.23 118.68 120.51 1sjn s LEU 29 Ca 0.39 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1sjn s LEU 29 Cb -0.24 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1sjn s LEU 29 CO 0.28 0.38 0.48 -0.31 0.23 0.00 0.00 176.35 177.41 1sjn s TYR 30 N -1.08 3.46 0.09 0.29 1.51 -1.26 -1.24 117.35 119.12 1sjn s TYR 30 Ca 0.18 0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 56.59 1sjn s TYR 30 Cb -0.13 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1sjn s TYR 30 CO 0.07 0.31 0.93 0.45 -1.11 0.00 0.00 175.55 176.19 1sjn s SER 31 N -2.72 7.43 0.00 2.29 0.15 0.08 -4.22 113.70 116.72 1sjn s SER 31 Ca 0.43 1.71 0.30 0.00 0.70 0.00 0.00 55.95 59.10 1sjn s SER 31 Cb -0.11 -2.56 1.52 0.00 -1.71 0.00 0.00 66.02 63.15 1sjn s SER 31 CO 0.26 -0.07 2.04 0.00 1.20 0.00 0.00 173.24 176.67 1sjn n ALA 32 N 2.92 2.57 -2.79 5.45 0.00 -0.08 -0.64 120.51 127.93 1sjn n ALA 32 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1sjn n ALA 32 Cb 0.50 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 1sjn n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sjn s GLU 33 N -2.47 0.44 -0.05 0.00 2.02 -1.26 -4.80 118.70 112.58 1sjn s GLU 33 Ca 0.31 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 1sjn s GLU 33 Cb 0.20 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 1sjn s GLU 33 CO 0.45 -0.03 0.99 -0.51 0.02 0.00 0.00 175.26 176.18 1sjn s ASP 34 N -1.77 7.31 -0.07 -0.19 1.01 -1.26 -2.55 116.67 119.15 1sjn s ASP 34 Ca -0.10 1.59 -0.21 0.00 0.71 0.00 0.00 52.55 54.55 1sjn s ASP 34 Cb -0.07 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.34 1sjn s ASP 34 CO -0.02 -0.35 0.49 0.54 0.21 0.00 0.00 175.17 176.04 1sjn s VAL 35 N 1.48 0.02 -0.15 -1.27 0.11 -0.41 -4.96 120.40 115.23 1sjn s VAL 35 Ca 0.50 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1sjn s VAL 35 Cb -0.20 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1sjn s VAL 35 CO 0.23 -0.11 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.02 1sjn s GLU 36 N -0.86 3.15 -0.31 1.54 2.12 -1.26 -0.49 118.70 122.59 1sjn s GLU 36 Ca -0.09 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.36 1sjn s GLU 36 Cb -0.03 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 1sjn s GLU 36 CO 0.05 -0.01 0.16 -0.51 -0.54 0.00 0.00 175.26 174.42 1sjn s LEU 37 N 0.85 4.13 0.84 2.70 1.43 -0.13 -4.96 118.68 123.54 1sjn s LEU 37 Ca -0.05 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1sjn s LEU 37 Cb -0.15 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 44.14 1sjn s LEU 37 CO -0.01 -0.19 1.09 0.00 0.23 0.00 0.00 176.35 177.48 1sjn s ALA 38 N 1.64 1.85 0.09 4.21 0.00 -1.26 -1.20 121.76 127.08 1sjn s ALA 38 Ca 0.05 0.11 -0.35 0.00 0.00 0.00 0.00 51.96 51.77 1sjn s ALA 38 Cb -0.17 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1sjn s ALA 38 CO 0.07 -2.11 1.55 -2.30 0.00 0.00 0.00 175.76 172.97 1sjn n PRO 39 N -3.74 1.80 -0.63 0.00 -0.02 -1.26 -1.17 135.00 129.98 1sjn n PRO 39 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1sjn n PRO 39 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1sjn n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjn n GLY 40 N 3.30 1.12 3.95 -1.23 0.00 0.04 -5.02 105.19 107.35 1sjn n GLY 40 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1sjn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sjn s ARG 41 N -0.24 3.47 0.34 1.61 1.81 -0.32 -4.76 118.95 120.87 1sjn s ARG 41 Ca 0.00 -0.52 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 1sjn s ARG 41 Cb 0.00 -2.80 -0.07 0.00 -0.45 0.00 0.00 34.95 31.63 1sjn s ARG 41 CO 0.00 0.33 0.04 -0.98 -0.68 0.00 0.00 175.30 174.01 1sjn s ARG 42 N -3.93 1.72 0.02 3.54 1.70 -1.26 -1.08 118.95 119.65 1sjn s ARG 42 Ca 0.37 -1.95 -0.25 0.00 -0.47 0.00 0.00 55.73 53.42 1sjn s ARG 42 Cb -0.10 -1.06 0.06 0.00 -0.57 0.00 0.00 34.95 33.29 1sjn s ARG 42 CO 0.31 -0.14 0.58 0.00 -1.08 0.00 0.00 175.30 174.97 1sjn s ALA 43 N -3.15 -1.51 -0.38 7.88 0.00 -0.06 -4.98 121.76 119.56 1sjn s ALA 43 Ca 0.36 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 1sjn s ALA 43 Cb 0.09 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1sjn s ALA 43 CO 0.16 -0.47 0.25 -1.17 0.00 0.00 0.00 175.76 174.53 1sjn s LEU 44 N -1.71 4.81 -0.18 0.00 2.96 -1.26 -1.44 118.68 121.86 1sjn s LEU 44 Ca -0.07 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1sjn s LEU 44 Cb -0.01 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1sjn s LEU 44 CO 0.02 -0.37 0.01 -0.69 -1.32 0.00 0.00 176.35 174.00 1sjn s VAL 45 N 1.65 4.20 0.32 1.68 1.01 0.69 -4.88 120.40 125.06 1sjn s VAL 45 Ca 0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1sjn s VAL 45 Cb -0.19 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1sjn s VAL 45 CO 0.09 0.45 1.32 -0.13 0.00 0.00 0.00 175.10 176.83 1sjn s ARG 46 N 0.67 4.34 0.00 2.72 0.52 -1.26 -0.70 118.95 125.24 1sjn s ARG 46 Ca 0.00 2.23 0.21 0.00 -0.52 0.00 0.00 55.73 57.65 1sjn s ARG 46 Cb -0.14 -3.07 -0.19 0.00 0.52 0.00 0.00 34.95 32.07 1sjn s ARG 46 CO 0.02 -0.21 0.90 0.25 0.02 0.00 0.00 175.30 176.27 1sjn n THR 47 N 0.93 0.00 -1.03 0.02 -2.24 -0.95 -0.90 114.28 110.10 1sjn n THR 47 Ca 0.01 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1sjn n THR 47 Cb 0.42 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1sjn n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjn n GLY 48 N 1.47 0.47 3.20 3.38 0.00 -1.26 -4.46 105.19 107.99 1sjn n GLY 48 Ca 0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1sjn n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjn s VAL 49 N -1.87 1.10 0.05 1.61 -7.23 -1.26 -0.78 120.40 112.01 1sjn s VAL 49 Ca 0.00 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1sjn s VAL 49 Cb 0.00 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 1sjn s VAL 49 CO 0.00 -0.51 -0.14 0.00 -0.31 0.00 0.00 175.10 174.14 1sjn s ALA 50 N -2.35 1.19 0.21 1.32 0.00 -0.72 -0.89 121.76 120.52 1sjn s ALA 50 Ca 0.07 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1sjn s ALA 50 Cb -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1sjn s ALA 50 CO 0.01 0.21 -0.03 0.14 0.00 0.00 0.00 175.76 176.09 1sjn s VAL 51 N -1.00 1.10 -0.61 0.00 -7.23 -1.26 -0.76 120.40 110.64 1sjn s VAL 51 Ca 0.00 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1sjn s VAL 51 Cb -0.09 -2.22 0.15 0.00 0.56 0.00 0.00 36.38 34.78 1sjn s VAL 51 CO 0.02 -0.43 0.38 0.00 -0.31 0.00 0.00 175.10 174.76 1sjn s ALA 52 N -3.38 3.46 0.14 1.32 0.00 -0.84 -4.55 121.76 117.92 1sjn s ALA 52 Ca 0.26 -3.51 -0.31 0.00 0.00 0.00 0.00 51.96 48.39 1sjn s ALA 52 Cb 0.05 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 1sjn s ALA 52 CO 0.07 -2.06 1.76 0.08 0.00 0.00 0.00 175.76 175.61 1sjn s VAL 53 N -0.84 2.46 0.56 0.00 1.01 -1.26 -4.37 120.40 117.95 1sjn s VAL 53 Ca 0.21 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1sjn s VAL 53 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1sjn s VAL 53 CO -0.09 0.00 1.32 -2.65 0.00 0.00 0.00 175.10 173.68 1sjn n PRO 54 N 5.07 1.57 -1.67 2.72 -0.02 -1.26 -4.42 135.00 137.00 1sjn n PRO 54 Ca 0.17 0.58 -0.46 0.00 -2.02 0.00 0.00 63.50 61.77 1sjn n PRO 54 Cb 0.38 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 1sjn n PRO 54 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sjn n PHE 55 N -1.15 2.19 -0.12 6.00 7.35 -1.26 -0.78 117.46 129.68 1sjn n PHE 55 Ca 0.11 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 1sjn n PHE 55 Cb 0.45 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.78 1sjn n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sjn n GLY 56 N 2.88 0.65 3.58 7.13 0.00 -1.26 -5.06 105.19 113.10 1sjn n GLY 56 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1sjn n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sjn s MET 57 N -0.77 1.91 -0.00 1.61 -1.94 0.04 -1.14 119.30 119.00 1sjn s MET 57 Ca 0.00 -2.11 -0.02 0.00 -1.71 0.00 0.00 55.69 51.85 1sjn s MET 57 Cb 0.00 -1.29 -0.00 0.00 2.01 0.00 0.00 34.83 35.55 1sjn s MET 57 CO 0.00 -0.19 0.03 0.54 -0.01 0.00 0.00 175.02 175.40 1sjn s VAL 58 N -2.96 0.04 -0.10 -6.03 0.11 0.60 -4.18 120.40 107.87 1sjn s VAL 58 Ca 0.29 -0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 1sjn s VAL 58 Cb 0.07 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1sjn s VAL 58 CO 0.14 -0.17 0.27 -0.83 -3.33 0.00 0.00 175.10 171.18 1sjn s GLY 59 N -0.51 2.27 -0.08 6.54 0.00 -0.27 -1.16 107.32 114.11 1sjn s GLY 59 Ca -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.24 1sjn s GLY 59 CO -0.00 0.08 -0.18 1.08 0.00 0.00 0.00 173.10 174.08 1sjn s LEU 60 N -0.47 1.85 -0.34 0.66 1.43 0.12 -0.13 118.68 121.80 1sjn s LEU 60 Ca 0.18 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1sjn s LEU 60 Cb -0.14 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1sjn s LEU 60 CO 0.06 0.10 0.21 -0.69 0.23 0.00 0.00 176.35 176.26 1sjn s VAL 61 N 0.48 4.86 0.06 -1.59 1.01 0.02 -0.74 120.40 124.51 1sjn s VAL 61 Ca -0.16 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1sjn s VAL 61 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1sjn s VAL 61 CO 0.06 -0.06 -0.13 -1.00 0.00 0.00 0.00 175.10 173.97 1sjn s HIS 62 N 1.64 2.69 0.64 5.22 3.76 -0.05 -1.30 115.29 127.89 1sjn s HIS 62 Ca 0.04 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.63 1sjn s HIS 62 Cb -0.18 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1sjn s HIS 62 CO 0.08 0.35 1.11 -2.14 -0.85 0.00 0.00 174.74 173.29 1sjn s PRO 63 N -1.77 2.89 0.21 8.40 0.02 -1.26 -0.68 135.00 142.81 1sjn s PRO 63 Ca 0.18 1.39 -0.26 0.00 0.02 0.00 0.00 61.00 62.32 1sjn s PRO 63 Cb -0.11 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 1sjn s PRO 63 CO 0.09 -1.18 0.84 1.03 -0.33 0.00 0.00 177.00 177.45 1sjn s ARG 64 N -4.03 4.63 0.17 5.54 0.52 -1.26 -4.75 118.95 119.75 1sjn s ARG 64 Ca 0.67 1.25 -0.10 0.00 -0.52 0.00 0.00 55.73 57.02 1sjn s ARG 64 Cb -0.20 -3.18 0.04 0.00 0.52 0.00 0.00 34.95 32.12 1sjn s ARG 64 CO 0.40 0.51 1.61 0.66 0.02 0.00 0.00 175.30 178.50 1sjn h SER 65 N 4.07 0.98 -0.17 0.23 4.64 -1.96 -2.82 113.55 118.52 1sjn h SER 65 Ca -0.46 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 60.51 1sjn h SER 65 Cb 1.20 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1sjn h SER 65 CO 0.66 1.07 0.04 1.23 -0.87 0.00 0.00 176.83 178.97 1sjn h GLY 66 N 0.87 0.29 1.58 -0.77 0.00 -1.99 -1.88 103.07 101.18 1sjn h GLY 66 Ca 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1sjn h GLY 66 CO 0.04 0.17 -0.22 1.41 0.00 0.00 0.00 176.54 177.94 1sjn h LEU 67 N 0.09 0.49 -0.42 3.11 3.38 -1.92 -0.36 115.31 119.68 1sjn h LEU 67 Ca 0.05 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sjn h LEU 67 Cb 0.26 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1sjn h LEU 67 CO 0.00 0.72 0.05 0.00 0.09 0.00 0.00 178.44 179.30 1sjn h ALA 68 N 1.33 0.43 0.12 1.53 0.00 -1.19 -1.61 119.26 119.87 1sjn h ALA 68 Ca 0.07 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 1sjn h ALA 68 Cb 0.63 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1sjn h ALA 68 CO 0.04 -0.35 -0.98 1.15 0.00 0.00 0.00 179.25 179.11 1sjn h THR 69 N 0.17 1.40 -0.36 0.00 2.02 -1.12 -2.14 112.91 112.89 1sjn h THR 69 Ca 0.21 -2.44 -0.15 0.00 0.77 0.00 0.00 66.41 64.80 1sjn h THR 69 Cb 0.27 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1sjn h THR 69 CO -0.30 0.72 -0.35 0.03 0.37 0.00 0.00 175.52 175.98 1sjn h ARG 70 N -0.07 0.87 0.00 6.66 3.08 -1.03 -3.38 114.38 120.52 1sjn h ARG 70 Ca -0.16 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1sjn h ARG 70 Cb 1.72 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1sjn h ARG 70 CO 0.19 1.10 0.00 1.33 -1.07 0.00 0.00 179.97 181.52 1sjn n VAL 71 N -4.12 0.00 -1.44 2.04 0.24 -0.63 -5.03 118.33 109.38 1sjn n VAL 71 Ca -0.03 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 61.94 1sjn n VAL 71 Cb 0.52 1.25 -0.00 0.00 -1.47 0.00 0.00 33.84 34.14 1sjn n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjn n GLY 72 N 0.20 0.41 3.69 7.63 0.00 -0.80 -4.28 105.19 112.04 1sjn n GLY 72 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1sjn n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sjn s LEU 73 N -0.33 4.29 0.00 0.99 2.96 -1.13 -0.42 118.68 125.04 1sjn s LEU 73 Ca 0.00 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.78 1sjn s LEU 73 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 1sjn s LEU 73 CO 0.00 -0.58 0.12 -0.24 -1.32 0.00 0.00 176.35 174.34 1sjn n SER 74 N 5.11 0.34 -3.99 3.68 2.88 -0.42 -3.73 113.62 117.50 1sjn n SER 74 Ca 0.11 -2.24 -0.24 0.00 -1.33 0.00 0.00 58.87 55.16 1sjn n SER 74 Cb 0.46 0.77 -0.17 0.00 -0.75 0.00 0.00 64.21 64.53 1sjn n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sjn s ILE 75 N -2.60 1.03 0.23 2.46 1.01 -1.26 -1.44 121.20 120.63 1sjn s ILE 75 Ca 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1sjn s ILE 75 Cb 0.01 -0.97 0.15 0.00 0.01 0.00 0.00 42.46 41.66 1sjn s ILE 75 CO 0.12 0.34 1.78 0.58 0.00 0.00 0.00 174.94 177.76 1sjn h VAL 76 N 6.03 1.25 -0.63 2.92 2.07 -1.38 -2.62 116.25 123.89 1sjn h VAL 76 Ca -0.32 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 1sjn h VAL 76 Cb 1.17 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1sjn h VAL 76 CO 0.46 0.34 0.12 -0.46 0.02 0.00 0.00 177.57 178.05 1sjn n ASN 77 N -4.26 5.24 -4.75 0.57 6.94 -1.26 -5.00 115.26 112.74 1sjn n ASN 77 Ca 0.06 -3.08 -0.41 0.00 -0.02 0.00 0.00 54.58 51.12 1sjn n ASN 77 Cb 0.22 -0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 36.91 1sjn n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1sjn s SER 78 N -0.98 6.63 0.14 0.53 0.15 -0.99 -2.94 113.70 116.24 1sjn s SER 78 Ca 0.54 2.71 -0.30 0.00 0.70 0.00 0.00 55.95 59.60 1sjn s SER 78 Cb 0.43 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 62.04 1sjn s SER 78 CO 0.14 -0.70 0.99 -2.16 1.20 0.00 0.00 173.24 172.71 1sjn s PRO 79 N -0.68 4.69 0.30 5.44 0.04 -1.26 -5.08 135.00 138.44 1sjn s PRO 79 Ca 0.58 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1sjn s PRO 79 Cb -0.42 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 30.68 1sjn s PRO 79 CO 0.46 0.21 1.09 0.20 0.04 0.00 0.00 177.00 179.00 1sjn s GLY 80 N -0.12 3.02 -0.29 0.56 0.00 -0.42 -4.80 107.32 105.27 1sjn s GLY 80 Ca 0.47 0.87 -0.07 0.00 0.00 0.00 0.00 44.72 45.98 1sjn s GLY 80 CO 0.31 1.44 0.09 -1.59 0.00 0.00 0.00 173.10 173.35 1sjn s THR 81 N -1.24 4.15 -0.35 0.90 2.01 -1.26 -0.80 115.64 119.05 1sjn s THR 81 Ca 0.47 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 1sjn s THR 81 Cb -0.30 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1sjn s THR 81 CO 0.39 0.15 0.18 -0.63 -0.69 0.00 0.00 174.62 174.01 1sjn s ILE 82 N 1.55 4.44 0.51 1.82 -1.09 0.82 -4.98 121.20 124.28 1sjn s ILE 82 Ca 0.04 -0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 57.49 1sjn s ILE 82 Cb -0.17 -3.43 -0.08 0.00 -1.58 0.00 0.00 42.46 37.21 1sjn s ILE 82 CO 0.03 -0.15 0.99 -1.81 -1.23 0.00 0.00 174.94 172.78 1sjn s ASP 83 N 1.54 6.53 0.38 3.58 1.01 -1.26 -1.12 116.67 127.34 1sjn s ASP 83 Ca 0.02 1.64 0.10 0.00 0.71 0.00 0.00 52.55 55.02 1sjn s ASP 83 Cb -0.19 -2.52 0.87 0.00 1.01 0.00 0.00 42.92 42.10 1sjn s ASP 83 CO 0.06 -0.65 1.92 0.00 0.21 0.00 0.00 175.17 176.71 1sjn h ALA 84 N 1.01 1.88 0.00 5.23 0.00 -1.77 -1.70 119.26 123.90 1sjn h ALA 84 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sjn h ALA 84 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1sjn h ALA 84 CO 0.61 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1sjn n GLY 85 N -1.47 -1.30 3.69 0.00 0.00 -1.26 -4.20 105.19 100.65 1sjn n GLY 85 Ca 0.13 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1sjn n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sjn s TYR 86 N -2.73 3.54 -0.01 1.61 5.04 -0.64 -4.90 117.35 119.25 1sjn s TYR 86 Ca 0.21 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.35 1sjn s TYR 86 Cb 0.18 -3.08 0.02 0.00 0.35 0.00 0.00 41.96 39.43 1sjn s TYR 86 CO 0.45 -0.14 0.97 0.54 -1.34 0.00 0.00 175.55 176.04 1sjn n ARG 87 N 4.63 2.66 -1.78 4.97 5.12 -1.26 -4.64 116.66 126.36 1sjn n ARG 87 Ca 0.06 -1.49 -0.26 0.00 -1.93 0.00 0.00 57.85 54.22 1sjn n ARG 87 Cb 0.50 -0.99 0.18 0.00 -1.16 0.00 0.00 32.46 30.98 1sjn n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sjn n GLY 88 N -0.52 -1.30 3.74 -0.13 0.00 -1.26 -4.85 105.19 100.88 1sjn n GLY 88 Ca 0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1sjn n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjn s GLU 89 N -5.57 4.49 0.01 1.61 2.12 -1.26 -4.41 118.70 115.69 1sjn s GLU 89 Ca 0.68 1.92 -0.30 0.00 0.36 0.00 0.00 54.97 57.63 1sjn s GLU 89 Cb -0.02 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1sjn s GLU 89 CO 0.47 -0.07 1.29 0.42 -0.54 0.00 0.00 175.26 176.83 1sjn s ILE 90 N -0.31 3.91 0.00 -3.70 1.01 -0.07 -4.99 121.20 117.06 1sjn s ILE 90 Ca 0.52 1.31 0.08 0.00 0.00 0.00 0.00 60.65 62.56 1sjn s ILE 90 Cb -0.34 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1sjn s ILE 90 CO 0.39 0.04 -0.26 -0.54 0.00 0.00 0.00 174.94 174.57 1sjn s LYS 91 N 1.86 1.97 -0.15 2.79 1.02 -1.26 -2.24 119.74 123.73 1sjn s LYS 91 Ca 0.60 -0.99 0.01 0.00 0.02 0.00 0.00 55.97 55.61 1sjn s LYS 91 Cb -0.29 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1sjn s LYS 91 CO 0.26 0.54 -0.17 0.08 -0.92 0.00 0.00 175.35 175.14 1sjn s VAL 92 N -0.68 2.46 -1.19 3.17 1.01 0.12 -4.90 120.40 120.40 1sjn s VAL 92 Ca 0.11 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1sjn s VAL 92 Cb -0.10 -2.03 0.17 0.00 0.00 0.00 0.00 36.38 34.43 1sjn s VAL 92 CO 0.00 0.52 1.41 0.00 0.00 0.00 0.00 175.10 177.03 1sjn s ALA 93 N 0.85 3.98 0.42 5.51 0.00 -1.26 -0.22 121.76 131.04 1sjn s ALA 93 Ca -0.05 -3.34 -0.23 0.00 0.00 0.00 0.00 51.96 48.34 1sjn s ALA 93 Cb -0.15 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.77 1sjn s ALA 93 CO -0.01 -2.77 1.04 -0.51 0.00 0.00 0.00 175.76 173.51 1sjn s LEU 94 N 1.58 4.06 0.01 0.00 1.43 -0.52 -0.98 118.68 124.26 1sjn s LEU 94 Ca 0.42 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1sjn s LEU 94 Cb -0.03 -4.29 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1sjn s LEU 94 CO -0.01 -0.56 -0.03 -0.51 0.23 0.00 0.00 176.35 175.48 1sjn s ILE 95 N -1.76 0.14 -0.48 -0.59 2.07 -0.52 -0.88 121.20 119.18 1sjn s ILE 95 Ca 0.60 -0.58 -0.18 0.00 -1.41 0.00 0.00 60.65 59.09 1sjn s ILE 95 Cb -0.20 -0.22 0.06 0.00 0.13 0.00 0.00 42.46 42.23 1sjn s ILE 95 CO 0.25 -0.28 0.51 0.21 -1.91 0.00 0.00 174.94 173.72 1sjn s ASN 96 N -0.90 6.19 0.00 4.50 3.84 -0.24 -1.30 114.94 127.04 1sjn s ASN 96 Ca -0.09 -1.02 0.18 0.00 0.21 0.00 0.00 52.86 52.14 1sjn s ASN 96 Cb -0.06 -2.24 0.55 0.00 -0.55 0.00 0.00 41.25 38.94 1sjn s ASN 96 CO -0.00 -0.75 1.43 0.18 -2.79 0.00 0.00 177.10 175.16 1sjn n LEU 97 N 5.73 2.19 -4.76 3.21 4.77 0.43 -0.78 117.00 127.80 1sjn n LEU 97 Ca -0.09 -1.01 -0.40 0.00 -0.03 0.00 0.00 56.01 54.49 1sjn n LEU 97 Cb 0.45 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1sjn n LEU 97 CO 0.50 0.50 0.75 -0.62 -1.33 0.00 0.00 177.39 177.20 1sjn s ASP 98 N -1.31 7.34 0.41 -1.43 2.15 -1.26 -4.91 116.67 117.67 1sjn s ASP 98 Ca 0.32 2.17 0.22 0.00 0.43 0.00 0.00 52.55 55.70 1sjn s ASP 98 Cb 0.17 -2.62 0.74 0.00 -0.30 0.00 0.00 42.92 40.91 1sjn s ASP 98 CO 0.24 -0.08 1.75 1.55 -0.17 0.00 0.00 175.17 178.46 1sjn h PRO 99 N 3.83 0.00 0.00 4.34 0.13 -1.95 -3.34 132.00 135.01 1sjn h PRO 99 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sjn h PRO 99 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sjn h PRO 99 CO 0.67 0.26 -0.72 0.00 -0.23 0.00 0.00 178.00 177.98 1sjn n ALA 100 N -2.22 1.60 -2.54 -0.56 0.00 -1.26 -4.85 120.51 110.68 1sjn n ALA 100 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1sjn n ALA 100 Cb 0.49 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 1sjn n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjn s ALA 101 N -1.60 2.86 0.70 0.00 0.00 -1.26 -4.84 121.76 117.62 1sjn s ALA 101 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1sjn s ALA 101 Cb 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1sjn s ALA 101 CO 0.00 0.59 1.09 -1.25 0.00 0.00 0.00 175.76 176.18 1sjn s PRO 102 N -1.13 2.68 -0.19 0.00 0.04 -1.26 -4.35 135.00 130.79 1sjn s PRO 102 Ca 0.14 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 1sjn s PRO 102 Cb -0.11 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1sjn s PRO 102 CO 0.04 -1.32 -0.00 0.42 0.04 0.00 0.00 177.00 176.18 1sjn s ILE 103 N -2.69 3.97 -0.31 0.56 1.01 -0.34 -4.97 121.20 118.43 1sjn s ILE 103 Ca 0.63 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 1sjn s ILE 103 Cb -0.17 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1sjn s ILE 103 CO 0.49 0.44 0.22 -0.69 0.00 0.00 0.00 174.94 175.40 1sjn s VAL 104 N 0.89 5.29 -0.21 2.92 1.01 -1.26 -0.96 120.40 128.08 1sjn s VAL 104 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1sjn s VAL 104 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1sjn s VAL 104 CO 0.02 0.13 0.06 -0.69 0.00 0.00 0.00 175.10 174.62 1sjn s VAL 105 N 1.76 4.51 -0.02 2.92 1.01 0.35 -5.02 120.40 125.92 1sjn s VAL 105 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1sjn s VAL 105 Cb -0.17 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1sjn s VAL 105 CO 0.11 0.40 0.09 -1.00 0.00 0.00 0.00 175.10 174.70 1sjn s HIS 106 N 1.00 3.33 0.19 5.22 3.76 -1.26 -1.28 115.29 126.25 1sjn s HIS 106 Ca 0.04 0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.87 1sjn s HIS 106 Cb -0.14 -1.76 -0.15 0.00 1.11 0.00 0.00 32.58 31.63 1sjn s HIS 106 CO 0.03 0.57 1.21 -2.13 -0.85 0.00 0.00 174.74 173.57 1sjn n ARG 107 N 1.25 1.37 -0.28 1.40 0.63 -1.06 -1.41 116.66 118.56 1sjn n ARG 107 Ca -0.13 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1sjn n ARG 107 Cb 0.53 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1sjn n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sjn n GLY 108 N 2.02 0.96 3.79 5.14 0.00 0.18 -4.96 105.19 112.32 1sjn n GLY 108 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1sjn n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjn s ASP 109 N -2.96 6.40 -0.37 1.61 1.11 -0.50 -4.80 116.67 117.17 1sjn s ASP 109 Ca 0.00 1.98 -0.20 0.00 0.18 0.00 0.00 52.55 54.51 1sjn s ASP 109 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1sjn s ASP 109 CO 0.00 -0.74 0.61 -0.13 1.18 0.00 0.00 175.17 176.09 1sjn s ARG 110 N -3.05 3.59 0.00 8.23 0.52 -1.26 -0.74 118.95 126.24 1sjn s ARG 110 Ca 0.65 -0.08 0.12 0.00 -0.52 0.00 0.00 55.73 55.90 1sjn s ARG 110 Cb -0.18 -3.84 0.02 0.00 0.52 0.00 0.00 34.95 31.47 1sjn s ARG 110 CO 0.22 -0.76 0.73 0.44 0.02 0.00 0.00 175.30 175.95 1sjn n ILE 111 N 5.59 0.00 -3.70 1.52 -5.35 -0.37 -4.98 119.36 112.07 1sjn n ILE 111 Ca -0.02 -0.41 -0.01 0.00 -0.27 0.00 0.00 62.75 62.04 1sjn n ILE 111 Cb 0.48 1.16 -0.01 0.00 -1.74 0.00 0.00 39.64 39.54 1sjn n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sjn s ALA 112 N -1.39 -1.97 0.05 -1.28 0.00 -1.23 -4.56 121.76 111.38 1sjn s ALA 112 Ca 0.11 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.50 1sjn s ALA 112 Cb 0.09 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1sjn s ALA 112 CO 0.26 -1.06 -0.17 -1.14 0.00 0.00 0.00 175.76 173.66 1sjn s GLN 113 N -2.75 1.06 -0.21 0.00 0.74 0.14 -0.80 119.66 117.84 1sjn s GLN 113 Ca 0.14 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 1sjn s GLN 113 Cb 0.02 -1.13 -0.01 0.00 1.10 0.00 0.00 33.01 32.99 1sjn s GLN 113 CO -0.01 0.28 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.78 1sjn s LEU 114 N -1.30 2.81 0.10 3.68 2.96 0.71 -0.87 118.68 126.77 1sjn s LEU 114 Ca 0.03 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1sjn s LEU 114 Cb -0.09 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1sjn s LEU 114 CO 0.02 -0.01 0.08 -0.76 -1.32 0.00 0.00 176.35 174.36 1sjn s LEU 115 N 1.38 3.76 -0.10 -0.68 1.02 0.08 -1.28 118.68 122.87 1sjn s LEU 115 Ca 0.05 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.18 1sjn s LEU 115 Cb -0.14 -2.43 -0.00 0.00 0.02 0.00 0.00 46.19 43.63 1sjn s LEU 115 CO -0.04 0.15 -0.21 -0.69 0.02 0.00 0.00 176.35 175.58 1sjn s VAL 116 N -1.45 2.30 0.08 -1.59 1.01 -1.26 0.13 120.40 119.62 1sjn s VAL 116 Ca 0.29 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1sjn s VAL 116 Cb -0.12 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1sjn s VAL 116 CO 0.22 0.55 -0.09 -1.10 0.00 0.00 0.00 175.10 174.68 1sjn s GLN 117 N 0.27 0.77 0.62 2.72 -0.21 -0.31 -4.98 119.66 118.54 1sjn s GLN 117 Ca -0.15 -1.10 -0.18 0.00 0.02 0.00 0.00 55.36 53.95 1sjn s GLN 117 Cb -0.17 -0.41 -0.02 0.00 1.00 0.00 0.00 33.01 33.41 1sjn s GLN 117 CO 0.08 0.05 1.24 1.03 -2.12 0.00 0.00 175.29 175.57 1sjn s ARG 118 N -2.71 2.78 0.03 2.91 0.52 -1.26 -0.29 118.95 120.93 1sjn s ARG 118 Ca 0.03 1.91 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 1sjn s ARG 118 Cb -0.03 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1sjn s ARG 118 CO -0.01 -1.37 -0.08 0.54 0.02 0.00 0.00 175.30 174.40 1sjn s VAL 119 N -1.54 0.57 -0.35 3.52 0.11 -0.30 -4.74 120.40 117.68 1sjn s VAL 119 Ca 0.79 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 58.73 1sjn s VAL 119 Cb -0.33 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1sjn s VAL 119 CO 0.36 -0.24 0.71 -1.61 -3.33 0.00 0.00 175.10 170.98 1sjn s GLU 120 N -1.24 3.77 -1.30 1.54 0.41 -1.26 -4.67 118.70 115.94 1sjn s GLU 120 Ca -0.06 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.63 1sjn s GLU 120 Cb -0.08 -3.79 0.15 0.00 -1.78 0.00 0.00 34.13 28.63 1sjn s GLU 120 CO 0.00 -0.75 1.87 1.28 -0.49 0.00 0.00 175.26 177.17 1sjn n LEU 121 N 6.17 6.44 -4.77 1.80 4.77 -1.26 -4.96 117.00 125.19 1sjn n LEU 121 Ca 0.01 -4.52 -0.40 0.00 -0.03 0.00 0.00 56.01 51.07 1sjn n LEU 121 Cb 0.48 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.03 1sjn n LEU 121 CO 0.50 1.21 0.99 0.68 -1.33 0.00 0.00 177.39 179.44 1sjn s VAL 122 N 1.09 2.61 -0.22 4.08 -7.23 -1.26 -4.99 120.40 114.48 1sjn s VAL 122 Ca 0.42 0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 60.95 1sjn s VAL 122 Cb 0.08 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 1sjn s VAL 122 CO -0.01 0.12 0.71 -0.70 -0.31 0.00 0.00 175.10 174.91 1sjn s GLU 123 N -2.01 4.18 0.20 4.82 2.12 -1.26 -5.05 118.70 121.70 1sjn s GLU 123 Ca 0.53 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.28 1sjn s GLU 123 Cb -0.40 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.29 1sjn s GLU 123 CO 0.52 -0.38 1.26 -0.51 -0.54 0.00 0.00 175.26 175.61 1sjn s LEU 124 N 2.38 4.43 -0.22 2.70 1.02 -1.26 -5.01 118.68 122.72 1sjn s LEU 124 Ca 0.31 2.34 0.00 0.00 0.02 0.00 0.00 54.13 56.80 1sjn s LEU 124 Cb -0.16 -3.61 0.06 0.00 0.02 0.00 0.00 46.19 42.50 1sjn s LEU 124 CO 0.09 -0.46 -0.05 -0.69 0.02 0.00 0.00 176.35 175.26 1sjn s VAL 125 N -0.02 1.42 0.14 -1.59 1.01 -1.26 -5.11 120.40 115.00 1sjn s VAL 125 Ca 0.55 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1sjn s VAL 125 Cb -0.35 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1sjn s VAL 125 CO 0.38 -0.05 1.25 -0.70 0.00 0.00 0.00 175.10 175.99 1sjn s GLU 126 N 1.46 4.43 0.20 2.72 2.12 -1.26 -5.04 118.70 123.32 1sjn s GLU 126 Ca -0.04 1.91 0.09 0.00 0.36 0.00 0.00 54.97 57.29 1sjn s GLU 126 Cb -0.18 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1sjn s GLU 126 CO -0.07 -0.23 -0.17 0.14 -0.54 0.00 0.00 175.26 174.40 1sjn s VAL 127 N 0.50 1.87 0.04 3.70 -7.23 -1.26 -5.05 120.40 112.97 1sjn s VAL 127 Ca 0.57 -2.11 0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1sjn s VAL 127 Cb -0.33 -1.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 1sjn s VAL 127 CO 0.34 -0.44 1.41 0.77 -0.31 0.00 0.00 175.10 176.86 1sjn h SER 128 N 2.83 0.00 -4.85 4.85 4.64 -2.10 -3.47 113.55 115.46 1sjn h SER 128 Ca -0.40 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1sjn h SER 128 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 1sjn h SER 128 CO 0.57 0.74 0.37 -0.94 -0.87 0.00 0.00 176.83 176.69 1sjn s SER 129 N -6.61 -0.43 0.50 4.97 1.04 -1.26 -5.16 113.70 106.76 1sjn s SER 129 Ca 0.02 -0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 1sjn s SER 129 Cb 0.09 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1sjn s SER 129 CO 0.78 -0.81 0.82 -0.36 0.98 0.00 0.00 173.24 174.64 1sjn s PHE 130 N -3.42 3.55 -0.61 5.02 2.99 -1.26 -5.02 117.98 119.23 1sjn s PHE 130 Ca 0.04 0.85 -0.28 0.00 0.00 0.00 0.00 56.93 57.55 1sjn s PHE 130 Cb -0.01 -2.37 0.02 0.00 0.00 0.00 0.00 43.02 40.66 1sjn s PHE 130 CO -0.09 -0.35 1.35 0.34 -0.00 0.00 0.00 175.22 176.47 1sjn s ASP 131 N -4.13 6.18 0.00 1.36 3.68 -1.26 -5.26 116.67 117.24 1sjn s ASP 131 Ca 0.48 0.07 0.29 0.00 2.13 0.00 0.00 52.55 55.52 1sjn s ASP 131 Cb -0.10 -2.55 1.17 0.00 -1.45 0.00 0.00 42.92 39.99 1sjn s ASP 131 CO 0.46 -1.71 1.81 -1.84 0.13 0.00 0.00 175.17 174.02