#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1six n GLY -7 N 0.00 -1.50 3.67 0.46 0.00 -1.26 -4.81 105.19 101.75 1six n GLY -7 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1six n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1six s LEU -6 N -3.13 4.19 -0.03 0.99 2.96 -1.26 -5.03 118.68 117.37 1six s LEU -6 Ca 0.13 1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 1six s LEU -6 Cb 0.18 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1six s LEU -6 CO 0.55 -0.65 1.15 -0.69 -1.32 0.00 0.00 176.35 175.39 1six s VAL -5 N 2.90 4.36 0.50 1.68 1.01 -1.26 -4.99 120.40 124.59 1six s VAL -5 Ca 0.51 1.68 -0.21 0.00 0.00 0.00 0.00 61.98 63.95 1six s VAL -5 Cb -0.20 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1six s VAL -5 CO 0.14 0.04 1.15 -2.16 0.00 0.00 0.00 175.10 174.28 1six s PRO -4 N 1.80 3.57 0.00 2.72 0.04 -1.25 -4.86 135.00 137.03 1six s PRO -4 Ca 0.55 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1six s PRO -4 Cb -0.24 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1six s PRO -4 CO 0.24 -0.69 0.00 2.89 0.04 0.00 0.00 177.00 179.47 1six n ARG -3 N -0.85 0.00 0.40 4.56 -4.01 -1.26 -2.29 116.66 113.21 1six n ARG -3 Ca 0.09 0.00 -0.19 0.00 -1.04 0.00 0.00 57.85 56.71 1six n ARG -3 Cb 0.49 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.82 1six n ARG -3 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 1six h GLY -2 N 0.00 -1.25 -5.49 2.89 0.00 -2.05 -3.03 103.07 94.14 1six h GLY -2 Ca 0.00 0.51 -0.38 0.00 0.00 0.00 0.00 47.33 47.46 1six h GLY -2 CO 0.00 -0.43 2.58 1.44 0.00 0.00 0.00 176.54 180.14 1six n SER -1 N -5.59 4.78 0.07 0.19 7.64 -1.05 -4.24 113.62 115.42 1six n SER -1 Ca -0.14 -2.33 0.02 0.00 1.01 0.00 0.00 58.87 57.43 1six n SER -1 Cb 0.47 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.54 1six n SER -1 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1six h HIS 0 N 6.40 0.00 -1.86 1.43 3.86 -1.33 -3.32 115.15 120.33 1six h HIS 0 Ca 0.49 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.97 1six h HIS 0 Cb 0.18 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.34 1six h HIS 0 CO 1.93 0.49 0.59 -0.12 0.86 0.00 0.00 177.93 181.67 1six n MET 1 N -2.97 2.93 -2.36 2.45 1.56 -1.26 -5.01 117.12 112.46 1six n MET 1 Ca -0.05 -3.78 -0.41 0.00 -0.27 0.00 0.00 57.70 53.18 1six n MET 1 Cb 0.77 -2.27 -0.03 0.00 2.15 0.00 0.00 33.22 33.85 1six n MET 1 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1six s SER 2 N -1.75 7.06 -0.11 6.12 1.04 -1.26 -5.01 113.70 119.79 1six s SER 2 Ca 0.51 2.21 -0.29 0.00 0.48 0.00 0.00 55.95 58.86 1six s SER 2 Cb 0.43 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1six s SER 2 CO -0.35 -0.42 0.96 -0.89 0.98 0.00 0.00 173.24 173.52 1six s THR 3 N 0.25 4.81 -0.01 2.02 2.01 -1.26 -5.03 115.64 118.43 1six s THR 3 Ca 0.55 1.95 -0.25 0.00 0.31 0.00 0.00 61.69 64.25 1six s THR 3 Cb -0.33 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1six s THR 3 CO 0.35 0.02 0.75 -0.89 -0.69 0.00 0.00 174.62 174.16 1six s THR 4 N 1.96 4.89 -0.33 -0.82 2.01 -1.26 -5.04 115.64 117.05 1six s THR 4 Ca 0.46 1.58 -0.02 0.00 0.31 0.00 0.00 61.69 64.03 1six s THR 4 Cb -0.18 -4.10 0.07 0.00 0.01 0.00 0.00 72.50 68.30 1six s THR 4 CO 0.17 0.30 0.06 -0.22 -0.69 0.00 0.00 174.62 174.24 1six s LEU 5 N 0.41 4.32 0.29 4.42 2.96 -1.26 -4.82 118.68 125.01 1six s LEU 5 Ca 0.39 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 1six s LEU 5 Cb -0.19 -1.74 -0.10 0.00 0.50 0.00 0.00 46.19 44.66 1six s LEU 5 CO 0.21 -0.34 1.26 0.00 -1.32 0.00 0.00 176.35 176.16 1six s ALA 6 N 1.20 3.49 -0.01 5.97 0.00 -1.26 -4.92 121.76 126.22 1six s ALA 6 Ca -0.00 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 1six s ALA 6 Cb -0.20 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1six s ALA 6 CO -0.02 -0.51 0.03 -1.50 0.00 0.00 0.00 175.76 173.76 1six s ILE 7 N -0.83 -0.01 -0.21 0.00 2.07 -1.26 -1.50 121.20 119.46 1six s ILE 7 Ca 0.50 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.71 1six s ILE 7 Cb -0.37 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1six s ILE 7 CO 0.47 0.01 0.03 -0.69 -1.91 0.00 0.00 174.94 172.85 1six s VAL 8 N 0.19 4.22 -0.92 4.00 1.01 0.02 -4.99 120.40 123.92 1six s VAL 8 Ca -0.01 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1six s VAL 8 Cb -0.02 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1six s VAL 8 CO -0.01 0.42 1.21 -0.13 0.00 0.00 0.00 175.10 176.59 1six s ARG 9 N 0.98 3.53 0.47 2.72 0.52 -1.26 -1.54 118.95 124.38 1six s ARG 9 Ca 0.03 -1.44 0.13 0.00 -0.52 0.00 0.00 55.73 53.93 1six s ARG 9 Cb -0.14 -4.95 1.11 0.00 0.52 0.00 0.00 34.95 31.49 1six s ARG 9 CO 0.02 -1.91 2.09 -0.07 0.02 0.00 0.00 175.30 175.45 1six h LEU 10 N 11.27 0.20 -7.52 2.53 3.38 -1.33 -3.27 115.31 120.58 1six h LEU 10 Ca 0.11 -0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.42 1six h LEU 10 Cb 1.03 -0.05 -0.39 0.00 0.09 0.00 0.00 40.66 41.34 1six h LEU 10 CO 1.21 0.14 -0.57 -0.62 0.09 0.00 0.00 178.44 178.69 1six s ASP 11 N -6.79 4.71 0.00 -0.43 -1.08 -0.66 -4.97 116.67 107.45 1six s ASP 11 Ca -0.06 -2.74 0.21 0.00 -0.52 0.00 0.00 52.55 49.44 1six s ASP 11 Cb 0.18 -1.71 1.21 0.00 -1.46 0.00 0.00 42.92 41.14 1six s ASP 11 CO 0.70 -0.32 1.66 -0.81 0.52 0.00 0.00 175.17 176.93 1six n PRO 12 N 3.53 0.55 0.00 4.34 -0.04 -1.24 -2.34 135.00 139.80 1six n PRO 12 Ca 0.05 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1six n PRO 12 Cb 0.36 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.81 1six n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1six n GLY 13 N 0.39 -1.22 3.85 0.55 0.00 -1.26 -4.80 105.19 102.70 1six n GLY 13 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1six n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1six s LEU 14 N -2.93 4.20 0.71 0.99 1.43 -0.99 -5.06 118.68 117.03 1six s LEU 14 Ca 0.12 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.39 1six s LEU 14 Cb 0.15 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1six s LEU 14 CO 0.39 0.32 1.24 -2.84 0.23 0.00 0.00 176.35 175.69 1six s PRO 15 N -1.52 2.22 0.33 1.29 0.02 -1.26 -4.94 135.00 131.13 1six s PRO 15 Ca 0.21 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.83 1six s PRO 15 Cb -0.12 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 1six s PRO 15 CO 0.12 -1.81 1.38 -0.11 -0.33 0.00 0.00 177.00 176.25 1six n LEU 16 N -2.49 3.83 -4.64 -5.54 7.94 -1.26 -4.92 117.00 109.93 1six n LEU 16 Ca 0.14 1.20 -0.42 0.00 -1.11 0.00 0.00 56.01 55.83 1six n LEU 16 Cb 0.49 -1.52 0.01 0.00 0.53 0.00 0.00 43.42 42.94 1six n LEU 16 CO 0.47 -0.28 0.68 -2.65 -1.11 0.00 0.00 177.39 174.50 1six n PRO 17 N 0.89 1.54 -3.97 1.96 -0.02 -1.26 -5.00 135.00 129.14 1six n PRO 17 Ca 0.05 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1six n PRO 17 Cb 0.36 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1six n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1six s SER 18 N -0.65 0.27 0.16 2.55 1.04 -1.26 -4.85 113.70 110.96 1six s SER 18 Ca 0.62 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1six s SER 18 Cb -0.56 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.71 1six s SER 18 CO 0.58 -0.55 1.30 -0.13 0.98 0.00 0.00 173.24 175.41 1six s ARG 19 N -3.11 4.39 0.34 4.02 0.52 -1.26 -1.50 118.95 122.36 1six s ARG 19 Ca -0.01 1.99 0.11 0.00 -0.52 0.00 0.00 55.73 57.31 1six s ARG 19 Cb 0.02 -3.24 0.62 0.00 0.52 0.00 0.00 34.95 32.87 1six s ARG 19 CO -0.07 -0.27 1.77 0.00 0.02 0.00 0.00 175.30 176.75 1six h ALA 20 N 5.91 1.28 -2.65 2.13 0.00 -1.95 -3.45 119.26 120.52 1six h ALA 20 Ca -0.44 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 1six h ALA 20 Cb 1.21 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 1six h ALA 20 CO 0.80 0.53 -0.44 -1.01 0.00 0.00 0.00 179.25 179.13 1six s HIS 21 N -4.09 0.03 0.38 0.00 3.76 -1.26 -5.10 115.29 109.00 1six s HIS 21 Ca -0.03 -0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 54.47 1six s HIS 21 Cb 0.14 -0.03 -0.11 0.00 1.11 0.00 0.00 32.58 33.69 1six s HIS 21 CO 0.74 -0.35 1.24 -0.25 -0.85 0.00 0.00 174.74 175.27 1six n ASP 22 N 1.15 2.47 0.00 1.40 9.92 -1.26 -1.94 116.55 128.29 1six n ASP 22 Ca -0.21 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1six n ASP 22 Cb 0.57 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1six n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1six n GLY 23 N 0.85 2.56 3.77 0.44 0.00 -1.26 -5.02 105.19 106.53 1six n GLY 23 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1six n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1six s ASP 24 N -3.17 6.17 0.28 1.61 1.01 -0.82 -4.91 116.67 116.84 1six s ASP 24 Ca 0.00 2.98 0.06 0.00 0.71 0.00 0.00 52.55 56.30 1six s ASP 24 Cb 0.00 -2.66 0.40 0.00 1.01 0.00 0.00 42.92 41.66 1six s ASP 24 CO 0.00 -0.98 1.66 0.00 0.21 0.00 0.00 175.17 176.05 1six h ALA 25 N 2.74 1.03 -2.08 5.23 0.00 -1.95 -3.46 119.26 120.77 1six h ALA 25 Ca -0.51 -0.46 -0.59 0.00 0.00 0.00 0.00 54.91 53.35 1six h ALA 25 Cb 1.25 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1six h ALA 25 CO 0.63 0.64 -0.71 0.20 0.00 0.00 0.00 179.25 180.00 1six s GLY 26 N -4.27 1.99 -0.11 0.00 0.00 -1.26 -4.55 107.32 99.12 1six s GLY 26 Ca -0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.67 1six s GLY 26 CO 0.78 -1.97 0.06 -1.34 0.00 0.00 0.00 173.10 170.63 1six s VAL 27 N -2.64 4.83 0.05 1.40 -7.23 -0.53 -4.24 120.40 112.05 1six s VAL 27 Ca 0.31 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 1six s VAL 27 Cb -0.01 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1six s VAL 27 CO 0.15 0.59 0.97 -1.81 -0.31 0.00 0.00 175.10 174.69 1six s ASP 28 N -0.77 7.42 0.04 4.85 1.01 -0.56 -0.33 116.67 128.32 1six s ASP 28 Ca 0.13 1.71 -0.15 0.00 0.71 0.00 0.00 52.55 54.94 1six s ASP 28 Cb -0.12 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.18 1six s ASP 28 CO 0.03 -0.17 0.46 -0.76 0.21 0.00 0.00 175.17 174.93 1six s LEU 29 N 0.55 4.46 0.23 1.23 1.43 0.08 -4.05 118.68 122.61 1six s LEU 29 Ca 0.49 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 1six s LEU 29 Cb -0.22 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1six s LEU 29 CO 0.29 0.28 0.47 -0.31 0.23 0.00 0.00 176.35 177.30 1six s TYR 30 N -1.15 3.47 0.04 0.29 1.51 -1.26 -0.95 117.35 119.30 1six s TYR 30 Ca 0.27 0.56 -0.27 0.00 -1.01 0.00 0.00 57.07 56.63 1six s TYR 30 Cb -0.17 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1six s TYR 30 CO 0.16 0.30 0.84 0.45 -1.11 0.00 0.00 175.55 176.18 1six s SER 31 N -2.92 7.28 0.00 2.29 0.15 0.15 -4.21 113.70 116.43 1six s SER 31 Ca 0.42 1.53 0.29 0.00 0.70 0.00 0.00 55.95 58.90 1six s SER 31 Cb -0.11 -2.51 1.30 0.00 -1.71 0.00 0.00 66.02 62.99 1six s SER 31 CO 0.28 -0.07 1.94 0.00 1.20 0.00 0.00 173.24 176.59 1six n ALA 32 N 3.12 2.49 -2.18 5.45 0.00 -0.12 -0.49 120.51 128.78 1six n ALA 32 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1six n ALA 32 Cb 0.50 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1six n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1six s GLU 33 N -2.80 0.84 -0.05 0.00 -1.05 -1.26 -4.78 118.70 109.59 1six s GLU 33 Ca 0.20 -1.34 -0.27 0.00 -0.15 0.00 0.00 54.97 53.41 1six s GLU 33 Cb 0.19 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 1six s GLU 33 CO 0.51 -0.01 0.87 -0.51 0.95 0.00 0.00 175.26 177.07 1six s ASP 34 N -3.04 7.18 -0.04 0.83 1.01 -1.26 -2.67 116.67 118.68 1six s ASP 34 Ca 0.12 1.43 -0.02 0.00 0.71 0.00 0.00 52.55 54.78 1six s ASP 34 Cb 0.05 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1six s ASP 34 CO -0.05 -0.25 0.10 -0.69 0.21 0.00 0.00 175.17 174.49 1six s VAL 35 N 1.19 -0.03 -0.15 -1.27 1.01 0.48 -4.96 120.40 116.67 1six s VAL 35 Ca 0.45 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1six s VAL 35 Cb -0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1six s VAL 35 CO 0.22 0.04 -0.09 -0.70 0.00 0.00 0.00 175.10 174.57 1six s GLU 36 N 0.61 3.48 -0.32 2.72 2.12 -1.26 -0.44 118.70 125.61 1six s GLU 36 Ca -0.05 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.61 1six s GLU 36 Cb -0.06 -2.79 0.04 0.00 0.26 0.00 0.00 34.13 31.57 1six s GLU 36 CO -0.03 0.16 0.07 -0.51 -0.54 0.00 0.00 175.26 174.42 1six s LEU 37 N 0.52 4.09 0.88 2.70 1.43 0.62 -4.97 118.68 123.96 1six s LEU 37 Ca -0.06 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 51.85 1six s LEU 37 Cb -0.15 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.37 1six s LEU 37 CO 0.03 -0.28 1.11 0.00 0.23 0.00 0.00 176.35 177.44 1six s ALA 38 N 1.38 1.60 0.03 4.21 0.00 -1.26 -1.06 121.76 126.66 1six s ALA 38 Ca -0.02 0.33 -0.37 0.00 0.00 0.00 0.00 51.96 51.91 1six s ALA 38 Cb -0.19 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.43 1six s ALA 38 CO 0.02 -2.45 1.43 -2.30 0.00 0.00 0.00 175.76 172.46 1six n PRO 39 N -3.99 1.22 0.00 0.00 -0.02 -1.26 -1.33 135.00 129.62 1six n PRO 39 Ca 0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1six n PRO 39 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1six n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1six n GLY 40 N 2.87 2.18 3.90 -1.23 0.00 0.42 -5.02 105.19 108.32 1six n GLY 40 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1six n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1six s ARG 41 N -0.29 3.64 0.20 1.61 1.81 -0.44 -4.78 118.95 120.69 1six s ARG 41 Ca 0.00 0.09 0.08 0.00 -1.72 0.00 0.00 55.73 54.18 1six s ARG 41 Cb 0.00 -2.56 -0.05 0.00 -0.45 0.00 0.00 34.95 31.90 1six s ARG 41 CO 0.00 0.10 -0.15 -0.98 -0.68 0.00 0.00 175.30 173.59 1six s ARG 42 N -3.86 1.33 0.02 3.54 1.70 -1.26 -1.48 118.95 118.95 1six s ARG 42 Ca 0.45 -1.58 -0.10 0.00 -0.47 0.00 0.00 55.73 54.03 1six s ARG 42 Cb -0.10 -1.15 0.01 0.00 -0.57 0.00 0.00 34.95 33.13 1six s ARG 42 CO 0.33 0.19 0.21 0.00 -1.08 0.00 0.00 175.30 174.96 1six s ALA 43 N -2.90 -0.46 -0.44 7.88 0.00 -0.17 -5.00 121.76 120.68 1six s ALA 43 Ca 0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1six s ALA 43 Cb -0.01 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.37 1six s ALA 43 CO 0.07 -0.31 0.33 -1.17 0.00 0.00 0.00 175.76 174.68 1six s LEU 44 N -1.79 5.31 -0.20 0.00 2.96 -1.26 -1.51 118.68 122.19 1six s LEU 44 Ca -0.09 -1.18 -0.07 0.00 -0.22 0.00 0.00 54.13 52.56 1six s LEU 44 Cb -0.03 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1six s LEU 44 CO -0.01 -0.54 0.06 -0.69 -1.32 0.00 0.00 176.35 173.85 1six s VAL 45 N 1.62 4.67 0.31 1.68 1.01 0.16 -4.86 120.40 124.98 1six s VAL 45 Ca 0.04 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1six s VAL 45 Cb -0.22 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1six s VAL 45 CO 0.07 0.43 1.22 -0.13 0.00 0.00 0.00 175.10 176.69 1six s ARG 46 N 0.68 4.48 0.00 2.72 0.52 -1.26 -0.83 118.95 125.26 1six s ARG 46 Ca 0.03 2.04 0.17 0.00 -0.52 0.00 0.00 55.73 57.45 1six s ARG 46 Cb -0.13 -3.12 -0.07 0.00 0.52 0.00 0.00 34.95 32.14 1six s ARG 46 CO 0.02 -0.02 0.82 0.25 0.02 0.00 0.00 175.30 176.39 1six n THR 47 N 1.01 0.00 -0.99 0.02 -2.24 -1.03 -0.95 114.28 110.10 1six n THR 47 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1six n THR 47 Cb 0.43 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1six n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1six n GLY 48 N 1.27 0.48 3.13 3.38 0.00 -1.26 -4.50 105.19 107.69 1six n GLY 48 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1six n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1six s VAL 49 N -2.07 0.81 0.02 1.61 -7.23 -1.26 -0.82 120.40 111.45 1six s VAL 49 Ca 0.00 -1.37 0.06 0.00 -1.81 0.00 0.00 61.98 58.86 1six s VAL 49 Cb 0.00 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 1six s VAL 49 CO 0.00 -0.44 -0.18 0.00 -0.31 0.00 0.00 175.10 174.18 1six s ALA 50 N -1.85 1.48 0.21 1.32 0.00 -0.59 -0.86 121.76 121.48 1six s ALA 50 Ca -0.02 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1six s ALA 50 Cb -0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1six s ALA 50 CO 0.00 0.33 -0.03 0.14 0.00 0.00 0.00 175.76 176.21 1six s VAL 51 N -0.64 1.09 -0.63 0.00 -7.23 -1.26 -0.80 120.40 110.93 1six s VAL 51 Ca 0.06 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1six s VAL 51 Cb -0.08 -2.24 0.16 0.00 0.56 0.00 0.00 36.38 34.78 1six s VAL 51 CO 0.01 -0.41 0.41 0.00 -0.31 0.00 0.00 175.10 174.79 1six s ALA 52 N -3.38 3.60 0.18 1.32 0.00 -0.56 -4.57 121.76 118.34 1six s ALA 52 Ca 0.26 -3.49 -0.32 0.00 0.00 0.00 0.00 51.96 48.41 1six s ALA 52 Cb 0.05 -2.33 -0.11 0.00 0.00 0.00 0.00 23.12 20.73 1six s ALA 52 CO 0.07 -2.07 1.65 0.08 0.00 0.00 0.00 175.76 175.49 1six s VAL 53 N -0.68 2.36 0.60 0.00 1.01 -1.26 -4.31 120.40 118.12 1six s VAL 53 Ca 0.20 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1six s VAL 53 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1six s VAL 53 CO -0.06 0.02 1.33 -2.84 0.00 0.00 0.00 175.10 173.54 1six s PRO 54 N 1.28 2.80 0.29 2.72 0.02 -1.26 -4.41 135.00 136.44 1six s PRO 54 Ca 0.73 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.60 1six s PRO 54 Cb -0.46 -2.02 -0.13 0.00 0.02 0.00 0.00 34.50 31.91 1six s PRO 54 CO 0.32 -1.43 1.37 0.34 -0.33 0.00 0.00 177.00 177.27 1six n PHE 55 N -1.53 2.29 -0.25 6.54 7.35 -1.26 -1.16 117.46 129.43 1six n PHE 55 Ca 0.14 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1six n PHE 55 Cb 0.47 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.84 1six n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1six n GLY 56 N 1.50 0.84 3.56 7.13 0.00 -1.26 -5.05 105.19 111.92 1six n GLY 56 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1six n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1six s MET 57 N -0.62 1.89 -0.00 1.61 -1.94 -0.31 -1.20 119.30 118.72 1six s MET 57 Ca 0.00 -2.11 -0.02 0.00 -1.71 0.00 0.00 55.69 51.84 1six s MET 57 Cb 0.00 -1.13 -0.00 0.00 2.01 0.00 0.00 34.83 35.71 1six s MET 57 CO 0.00 -0.25 0.04 0.54 -0.01 0.00 0.00 175.02 175.34 1six s VAL 58 N -3.06 0.05 -0.03 -6.03 0.11 0.21 -4.19 120.40 107.46 1six s VAL 58 Ca 0.27 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.81 1six s VAL 58 Cb 0.06 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 1six s VAL 58 CO 0.13 -0.23 0.28 -0.83 -3.33 0.00 0.00 175.10 171.12 1six s GLY 59 N -0.71 2.29 -0.09 6.54 0.00 -0.24 -1.54 107.32 113.58 1six s GLY 59 Ca -0.08 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1six s GLY 59 CO -0.00 -0.22 -0.11 1.08 0.00 0.00 0.00 173.10 173.85 1six s LEU 60 N -1.37 1.49 -0.34 0.66 1.43 0.47 -0.26 118.68 120.75 1six s LEU 60 Ca 0.23 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1six s LEU 60 Cb -0.14 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 1six s LEU 60 CO 0.12 -0.03 0.28 -0.69 0.23 0.00 0.00 176.35 176.26 1six s VAL 61 N 1.13 5.25 0.10 -1.59 1.01 -0.11 -0.80 120.40 125.40 1six s VAL 61 Ca -0.05 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1six s VAL 61 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1six s VAL 61 CO -0.02 -0.05 -0.18 -1.00 0.00 0.00 0.00 175.10 173.84 1six s HIS 62 N 1.80 2.53 0.69 5.22 3.76 0.04 -0.92 115.29 128.41 1six s HIS 62 Ca 0.08 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 1six s HIS 62 Cb -0.17 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1six s HIS 62 CO 0.11 0.35 1.09 -2.14 -0.85 0.00 0.00 174.74 173.30 1six s PRO 63 N -1.98 2.75 0.13 8.40 0.02 -1.26 -0.98 135.00 142.08 1six s PRO 63 Ca 0.17 1.21 -0.23 0.00 0.02 0.00 0.00 61.00 62.17 1six s PRO 63 Cb -0.11 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1six s PRO 63 CO 0.09 -1.27 0.70 1.03 -0.33 0.00 0.00 177.00 177.22 1six s ARG 64 N -4.50 4.43 0.22 5.54 0.52 -1.26 -4.73 118.95 119.17 1six s ARG 64 Ca 0.63 1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 56.83 1six s ARG 64 Cb -0.18 -3.25 0.21 0.00 0.52 0.00 0.00 34.95 32.25 1six s ARG 64 CO 0.47 0.60 1.57 0.66 0.02 0.00 0.00 175.30 178.62 1six h SER 65 N 4.39 0.56 -0.00 0.23 4.64 -1.96 -2.84 113.55 118.55 1six h SER 65 Ca -0.48 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1six h SER 65 Cb 1.21 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1six h SER 65 CO 0.65 0.93 0.00 1.23 -0.87 0.00 0.00 176.83 178.77 1six h GLY 66 N 1.10 0.00 1.72 -0.77 0.00 -1.99 -1.85 103.07 101.28 1six h GLY 66 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1six h GLY 66 CO 0.09 0.00 -0.13 1.41 0.00 0.00 0.00 176.54 177.91 1six h LEU 67 N -0.25 0.33 -0.22 3.11 3.38 -1.92 0.12 115.31 119.86 1six h LEU 67 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1six h LEU 67 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1six h LEU 67 CO 0.00 0.49 0.11 0.00 0.09 0.00 0.00 178.44 179.13 1six h ALA 68 N 1.55 0.26 -0.01 1.53 0.00 -1.22 -1.13 119.26 120.24 1six h ALA 68 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1six h ALA 68 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1six h ALA 68 CO 0.02 -0.30 -0.14 1.15 0.00 0.00 0.00 179.25 179.98 1six h THR 69 N 0.24 1.55 -0.60 0.00 2.02 -1.09 -1.52 112.91 113.50 1six h THR 69 Ca 0.09 -1.80 -0.08 0.00 0.77 0.00 0.00 66.41 65.39 1six h THR 69 Cb 0.02 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1six h THR 69 CO -0.06 0.49 0.08 0.03 0.37 0.00 0.00 175.52 176.42 1six h ARG 70 N -0.56 1.01 0.00 6.66 3.08 -0.75 -3.36 114.38 120.46 1six h ARG 70 Ca -0.01 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1six h ARG 70 Cb 0.87 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1six h ARG 70 CO 0.03 0.96 0.00 1.33 -1.07 0.00 0.00 179.97 181.22 1six n VAL 71 N -4.27 0.13 -0.91 2.04 0.24 -0.47 -5.02 118.33 110.06 1six n VAL 71 Ca 0.03 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1six n VAL 71 Cb 0.29 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1six n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1six n GLY 72 N -0.07 0.44 3.70 7.63 0.00 -0.57 -4.30 105.19 112.02 1six n GLY 72 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1six n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1six s LEU 73 N 0.00 4.34 0.00 0.99 2.96 -1.07 -0.95 118.68 124.95 1six s LEU 73 Ca 0.00 1.93 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 1six s LEU 73 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1six s LEU 73 CO 0.00 -0.49 0.13 -0.24 -1.32 0.00 0.00 176.35 174.43 1six n SER 74 N 4.33 0.17 -3.94 3.68 2.88 -0.21 -3.76 113.62 116.76 1six n SER 74 Ca 0.09 -2.26 -0.25 0.00 -1.33 0.00 0.00 58.87 55.12 1six n SER 74 Cb 0.47 0.82 -0.17 0.00 -0.75 0.00 0.00 64.21 64.58 1six n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1six s ILE 75 N -2.65 1.02 0.18 2.46 1.01 -1.26 -0.91 121.20 121.05 1six s ILE 75 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1six s ILE 75 Cb 0.01 -1.00 0.09 0.00 0.01 0.00 0.00 42.46 41.57 1six s ILE 75 CO 0.13 0.35 1.79 0.58 0.00 0.00 0.00 174.94 177.79 1six h VAL 76 N 6.10 1.20 -0.71 2.92 2.07 -1.26 -2.41 116.25 124.17 1six h VAL 76 Ca -0.31 -0.51 -0.20 0.00 0.82 0.00 0.00 66.70 66.50 1six h VAL 76 Cb 1.15 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.22 1six h VAL 76 CO 0.43 0.22 0.26 -0.46 0.02 0.00 0.00 177.57 178.04 1six n ASN 77 N -4.56 4.76 -4.77 0.57 6.94 -1.26 -4.99 115.26 111.95 1six n ASN 77 Ca 0.04 -3.15 -0.40 0.00 -0.02 0.00 0.00 54.58 51.06 1six n ASN 77 Cb 0.09 -0.74 -0.01 0.00 -2.36 0.00 0.00 39.78 36.77 1six n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1six s SER 78 N -0.91 6.42 0.09 0.53 0.15 -0.91 -2.94 113.70 116.13 1six s SER 78 Ca 0.53 2.71 -0.30 0.00 0.70 0.00 0.00 55.95 59.58 1six s SER 78 Cb 0.42 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1six s SER 78 CO 0.13 -0.78 1.04 -2.16 1.20 0.00 0.00 173.24 172.68 1six s PRO 79 N -2.11 4.58 0.34 5.44 0.04 -1.26 -5.08 135.00 136.95 1six s PRO 79 Ca 0.54 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1six s PRO 79 Cb -0.39 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.68 1six s PRO 79 CO 0.52 0.02 1.15 0.20 0.04 0.00 0.00 177.00 178.92 1six s GLY 80 N 0.46 2.96 -0.30 0.56 0.00 -0.10 -4.78 107.32 106.12 1six s GLY 80 Ca 0.51 0.96 -0.08 0.00 0.00 0.00 0.00 44.72 46.11 1six s GLY 80 CO 0.30 1.52 0.10 -1.59 0.00 0.00 0.00 173.10 173.44 1six s THR 81 N -1.29 4.15 -0.34 0.90 2.01 -1.26 -0.93 115.64 118.88 1six s THR 81 Ca 0.51 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 1six s THR 81 Cb -0.32 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1six s THR 81 CO 0.41 0.07 0.17 -0.63 -0.69 0.00 0.00 174.62 173.95 1six s ILE 82 N 1.53 4.46 0.48 1.82 -1.09 0.64 -4.98 121.20 124.06 1six s ILE 82 Ca 0.03 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.58 1six s ILE 82 Cb -0.17 -3.40 -0.08 0.00 -1.58 0.00 0.00 42.46 37.23 1six s ILE 82 CO 0.04 -0.10 0.93 -1.81 -1.23 0.00 0.00 174.94 172.77 1six s ASP 83 N 1.56 6.62 0.50 3.58 1.01 -1.26 -1.07 116.67 127.60 1six s ASP 83 Ca 0.03 1.48 0.21 0.00 0.71 0.00 0.00 52.55 54.97 1six s ASP 83 Cb -0.18 -2.47 1.27 0.00 1.01 0.00 0.00 42.92 42.55 1six s ASP 83 CO 0.06 -0.53 2.00 0.00 0.21 0.00 0.00 175.17 176.91 1six h ALA 84 N 1.07 2.31 -0.02 5.23 0.00 -1.77 -1.17 119.26 124.91 1six h ALA 84 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1six h ALA 84 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1six h ALA 84 CO 0.62 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1six n GLY 85 N -1.59 0.01 3.71 0.00 0.00 -1.26 -4.30 105.19 101.75 1six n GLY 85 Ca 0.09 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1six n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1six s TYR 86 N -2.00 3.56 -0.00 1.61 5.04 -0.44 -4.90 117.35 120.22 1six s TYR 86 Ca 0.38 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.56 1six s TYR 86 Cb 0.21 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 39.29 1six s TYR 86 CO 0.33 -0.48 0.91 0.54 -1.34 0.00 0.00 175.55 175.51 1six n ARG 87 N 4.03 2.39 -1.46 4.97 5.12 -1.26 -4.65 116.66 125.80 1six n ARG 87 Ca 0.07 -1.32 -0.18 0.00 -1.93 0.00 0.00 57.85 54.49 1six n ARG 87 Cb 0.49 -0.91 0.12 0.00 -1.16 0.00 0.00 32.46 31.00 1six n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1six n GLY 88 N -0.41 -0.70 3.75 -0.13 0.00 -1.26 -4.82 105.19 101.60 1six n GLY 88 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1six n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1six s GLU 89 N -4.67 4.47 0.05 1.61 2.12 -1.26 -4.41 118.70 116.62 1six s GLU 89 Ca 0.47 1.95 -0.31 0.00 0.36 0.00 0.00 54.97 57.45 1six s GLU 89 Cb -0.02 -3.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 1six s GLU 89 CO 0.33 -0.09 1.29 0.42 -0.54 0.00 0.00 175.26 176.67 1six s ILE 90 N -0.38 3.81 0.12 -3.70 1.01 -0.04 -4.99 121.20 117.03 1six s ILE 90 Ca 0.52 1.27 0.10 0.00 0.00 0.00 0.00 60.65 62.54 1six s ILE 90 Cb -0.34 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1six s ILE 90 CO 0.40 0.07 -0.26 -0.54 0.00 0.00 0.00 174.94 174.61 1six s LYS 91 N 1.47 1.38 -0.14 2.79 1.02 -1.26 -2.47 119.74 122.53 1six s LYS 91 Ca 0.61 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1six s LYS 91 Cb -0.31 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1six s LYS 91 CO 0.28 0.43 -0.20 0.08 -0.92 0.00 0.00 175.35 175.02 1six s VAL 92 N -1.06 1.95 -1.27 3.17 1.01 -0.01 -4.90 120.40 119.29 1six s VAL 92 Ca 0.13 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1six s VAL 92 Cb -0.10 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.69 1six s VAL 92 CO 0.05 0.53 1.69 0.00 0.00 0.00 0.00 175.10 177.38 1six n ALA 93 N 4.17 4.47 -1.77 5.51 0.00 -1.26 -0.66 120.51 130.97 1six n ALA 93 Ca -0.20 -4.18 -0.37 0.00 0.00 0.00 0.00 53.44 48.69 1six n ALA 93 Cb 0.51 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1six n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1six s LEU 94 N 1.44 3.94 -0.02 0.00 1.43 -0.57 -0.76 118.68 124.14 1six s LEU 94 Ca 0.44 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 55.85 1six s LEU 94 Cb 0.04 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.96 1six s LEU 94 CO 0.01 -1.08 0.10 -0.51 0.23 0.00 0.00 176.35 175.10 1six s ILE 95 N -1.54 0.04 -0.53 -0.59 2.07 -0.09 -1.00 121.20 119.57 1six s ILE 95 Ca 0.66 -0.33 -0.19 0.00 -1.41 0.00 0.00 60.65 59.39 1six s ILE 95 Cb -0.30 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.10 1six s ILE 95 CO 0.36 -0.18 0.62 0.21 -1.91 0.00 0.00 174.94 174.04 1six s ASN 96 N -0.57 6.20 0.00 4.50 3.84 -0.55 -1.05 114.94 127.32 1six s ASN 96 Ca -0.06 -1.11 0.15 0.00 0.21 0.00 0.00 52.86 52.04 1six s ASN 96 Cb -0.04 -2.28 0.46 0.00 -0.55 0.00 0.00 41.25 38.84 1six s ASN 96 CO 0.00 -0.93 1.36 0.18 -2.79 0.00 0.00 177.10 174.93 1six n LEU 97 N 6.10 2.02 -4.78 3.21 4.77 -0.12 -0.43 117.00 127.76 1six n LEU 97 Ca -0.08 -0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 54.57 1six n LEU 97 Cb 0.44 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1six n LEU 97 CO 0.55 0.48 0.71 -0.62 -1.33 0.00 0.00 177.39 177.17 1six s ASP 98 N -1.17 7.00 0.26 -1.43 2.15 -1.26 -4.93 116.67 117.29 1six s ASP 98 Ca 0.28 1.97 0.25 0.00 0.43 0.00 0.00 52.55 55.49 1six s ASP 98 Cb 0.15 -2.58 0.86 0.00 -0.30 0.00 0.00 42.92 41.05 1six s ASP 98 CO 0.21 -0.32 1.75 1.55 -0.17 0.00 0.00 175.17 178.19 1six h PRO 99 N 2.79 0.00 0.00 4.34 0.14 -1.95 -3.34 132.00 133.98 1six h PRO 99 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 1six h PRO 99 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 1six h PRO 99 CO 0.63 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.77 1six n ALA 100 N -1.82 0.60 -2.74 -0.56 0.00 -1.26 -4.86 120.51 109.86 1six n ALA 100 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 1six n ALA 100 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1six n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1six s ALA 101 N -0.72 3.60 0.65 0.00 0.00 -1.26 -4.80 121.76 119.23 1six s ALA 101 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1six s ALA 101 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 1six s ALA 101 CO 0.00 0.08 1.12 -1.25 0.00 0.00 0.00 175.76 175.71 1six s PRO 102 N 0.53 2.81 -0.17 0.00 0.04 -1.26 -4.47 135.00 132.47 1six s PRO 102 Ca 0.07 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1six s PRO 102 Cb -0.12 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1six s PRO 102 CO -0.00 -1.25 -0.05 0.42 0.04 0.00 0.00 177.00 176.16 1six s ILE 103 N -2.27 3.61 -0.25 0.56 1.01 -0.22 -4.96 121.20 118.68 1six s ILE 103 Ca 0.68 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 1six s ILE 103 Cb -0.21 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1six s ILE 103 CO 0.40 0.47 0.09 -0.69 0.00 0.00 0.00 174.94 175.22 1six s VAL 104 N 0.70 4.56 -0.18 2.92 1.01 -1.26 -0.28 120.40 127.87 1six s VAL 104 Ca -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1six s VAL 104 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1six s VAL 104 CO 0.02 0.33 0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1six s VAL 105 N 1.53 4.78 0.01 2.92 1.01 0.41 -4.99 120.40 126.07 1six s VAL 105 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1six s VAL 105 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1six s VAL 105 CO 0.05 0.46 0.07 -1.00 0.00 0.00 0.00 175.10 174.67 1six s HIS 106 N 0.41 3.23 0.14 5.22 3.76 -1.26 -0.39 115.29 126.40 1six s HIS 106 Ca 0.03 0.16 -0.34 0.00 -0.15 0.00 0.00 55.06 54.76 1six s HIS 106 Cb -0.12 -1.70 -0.16 0.00 1.11 0.00 0.00 32.58 31.70 1six s HIS 106 CO 0.00 0.53 1.25 -2.13 -0.85 0.00 0.00 174.74 173.54 1six n ARG 107 N 1.08 1.19 -0.04 1.40 0.63 -1.09 -1.34 116.66 118.49 1six n ARG 107 Ca -0.12 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1six n ARG 107 Cb 0.52 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1six n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1six n GLY 108 N 2.26 1.04 3.79 5.14 0.00 0.36 -4.97 105.19 112.81 1six n GLY 108 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1six n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1six s ASP 109 N -2.76 6.04 -0.31 1.61 1.01 -0.45 -4.77 116.67 117.04 1six s ASP 109 Ca 0.00 2.00 -0.19 0.00 0.71 0.00 0.00 52.55 55.06 1six s ASP 109 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1six s ASP 109 CO 0.00 -0.99 0.58 -0.13 0.21 0.00 0.00 175.17 174.84 1six s ARG 110 N -3.38 3.85 0.00 8.23 0.52 -1.26 -0.68 118.95 126.24 1six s ARG 110 Ca 0.69 0.18 0.05 0.00 -0.52 0.00 0.00 55.73 56.13 1six s ARG 110 Cb -0.19 -3.74 0.01 0.00 0.52 0.00 0.00 34.95 31.55 1six s ARG 110 CO 0.25 -0.56 0.49 0.44 0.02 0.00 0.00 175.30 175.93 1six n ILE 111 N 5.38 0.00 -3.80 1.52 -5.35 -0.12 -4.97 119.36 112.01 1six n ILE 111 Ca -0.02 -0.46 -0.02 0.00 -0.27 0.00 0.00 62.75 61.97 1six n ILE 111 Cb 0.49 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1six n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1six s ALA 112 N -0.78 -1.78 0.03 -1.28 0.00 -1.23 -4.56 121.76 112.17 1six s ALA 112 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1six s ALA 112 Cb 0.04 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1six s ALA 112 CO 0.11 -1.06 -0.09 1.14 0.00 0.00 0.00 175.76 175.85 1six s GLN 113 N -2.60 0.66 -0.22 0.00 -2.07 -0.15 -0.74 119.66 114.53 1six s GLN 113 Ca 0.18 -0.58 -0.05 0.00 -1.82 0.00 0.00 55.36 53.09 1six s GLN 113 Cb -0.01 -0.58 -0.01 0.00 -1.09 0.00 0.00 33.01 31.32 1six s GLN 113 CO 0.02 0.14 -0.01 -1.17 -1.32 0.00 0.00 175.29 172.95 1six s LEU 114 N -0.95 3.05 0.15 2.60 2.96 0.55 -0.78 118.68 126.27 1six s LEU 114 Ca -0.02 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1six s LEU 114 Cb -0.07 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1six s LEU 114 CO 0.00 -0.01 0.21 -0.76 -1.32 0.00 0.00 176.35 174.47 1six s LEU 115 N 1.46 4.10 -0.08 -0.68 1.02 0.02 -1.45 118.68 123.07 1six s LEU 115 Ca 0.05 0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.28 1six s LEU 115 Cb -0.14 -2.69 0.01 0.00 0.02 0.00 0.00 46.19 43.38 1six s LEU 115 CO -0.01 0.07 -0.16 -0.69 0.02 0.00 0.00 176.35 175.58 1six s VAL 116 N -1.72 1.47 0.06 -1.59 1.01 -1.26 -0.40 120.40 117.97 1six s VAL 116 Ca 0.33 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1six s VAL 116 Cb -0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1six s VAL 116 CO 0.26 0.43 -0.06 -1.10 0.00 0.00 0.00 175.10 174.63 1six s GLN 117 N 0.62 0.59 0.66 2.72 -0.21 -0.59 -4.98 119.66 118.47 1six s GLN 117 Ca -0.15 -0.97 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 1six s GLN 117 Cb -0.16 -0.13 -0.00 0.00 1.00 0.00 0.00 33.01 33.71 1six s GLN 117 CO 0.04 -0.01 1.16 1.03 -2.12 0.00 0.00 175.29 175.40 1six s ARG 118 N -2.54 2.68 0.04 2.91 0.52 -1.26 -0.62 118.95 120.67 1six s ARG 118 Ca -0.02 1.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.82 1six s ARG 118 Cb -0.03 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1six s ARG 118 CO -0.03 -1.39 -0.08 0.54 0.02 0.00 0.00 175.30 174.36 1six s VAL 119 N -2.03 0.57 -0.28 3.52 0.11 -0.34 -4.76 120.40 117.19 1six s VAL 119 Ca 0.72 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.46 1six s VAL 119 Cb -0.25 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1six s VAL 119 CO 0.39 -0.35 0.82 -1.61 -3.33 0.00 0.00 175.10 171.02 1six s GLU 120 N -1.54 4.06 -0.66 1.54 0.41 -1.26 -4.67 118.70 116.58 1six s GLU 120 Ca -0.09 0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 55.01 1six s GLU 120 Cb -0.10 -3.70 0.08 0.00 -1.78 0.00 0.00 34.13 28.64 1six s GLU 120 CO 0.00 -0.63 0.91 -0.51 -0.49 0.00 0.00 175.26 174.55 1six s LEU 121 N 2.96 4.67 0.32 1.80 1.43 -1.26 -4.96 118.68 123.63 1six s LEU 121 Ca 0.34 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1six s LEU 121 Cb -0.14 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.61 1six s LEU 121 CO 0.11 -1.34 0.67 0.68 0.23 0.00 0.00 176.35 176.70 1six s VAL 122 N 3.65 4.82 -0.37 -1.59 -7.23 -1.26 -5.02 120.40 113.40 1six s VAL 122 Ca 0.20 0.62 -0.15 0.00 -1.81 0.00 0.00 61.98 60.84 1six s VAL 122 Cb -0.18 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.10 1six s VAL 122 CO 0.08 -0.26 0.32 -0.70 -0.31 0.00 0.00 175.10 174.23 1six s GLU 123 N -3.25 3.36 0.28 4.82 2.12 -1.26 -5.07 118.70 119.70 1six s GLU 123 Ca 0.50 -0.66 -0.29 0.00 0.36 0.00 0.00 54.97 54.88 1six s GLU 123 Cb -0.11 -3.86 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1six s GLU 123 CO 0.24 -0.59 1.07 -0.51 -0.54 0.00 0.00 175.26 174.93 1six s LEU 124 N 1.87 4.54 -0.23 2.70 1.02 -1.26 -5.02 118.68 122.31 1six s LEU 124 Ca 0.09 2.21 0.01 0.00 0.02 0.00 0.00 54.13 56.46 1six s LEU 124 Cb -0.17 -3.66 0.06 0.00 0.02 0.00 0.00 46.19 42.43 1six s LEU 124 CO 0.11 -0.12 -0.07 -0.69 0.02 0.00 0.00 176.35 175.60 1six s VAL 125 N -1.20 1.65 0.12 -1.59 1.01 -1.26 -5.09 120.40 114.04 1six s VAL 125 Ca 0.45 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1six s VAL 125 Cb -0.30 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1six s VAL 125 CO 0.39 -0.02 1.21 -0.70 0.00 0.00 0.00 175.10 175.98 1six s GLU 126 N 1.35 4.45 0.18 2.72 2.12 -1.26 -5.02 118.70 123.24 1six s GLU 126 Ca -0.05 1.83 0.09 0.00 0.36 0.00 0.00 54.97 57.20 1six s GLU 126 Cb -0.18 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1six s GLU 126 CO -0.06 -0.20 -0.19 0.14 -0.54 0.00 0.00 175.26 174.41 1six s VAL 127 N 0.60 1.93 -0.02 3.70 -7.23 -1.26 -5.04 120.40 113.08 1six s VAL 127 Ca 0.57 -1.99 0.18 0.00 -1.81 0.00 0.00 61.98 58.93 1six s VAL 127 Cb -0.31 -1.93 0.13 0.00 0.56 0.00 0.00 36.38 34.83 1six s VAL 127 CO 0.32 -0.31 1.61 0.77 -0.31 0.00 0.00 175.10 177.18 1six h SER 128 N 3.12 0.00 -4.78 4.85 4.64 -2.00 -3.47 113.55 115.92 1six h SER 128 Ca -0.42 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1six h SER 128 Cb 1.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 1six h SER 128 CO 0.52 0.39 0.38 -0.94 -0.87 0.00 0.00 176.83 176.31 1six s SER 129 N -6.38 -0.45 0.32 4.97 1.04 -1.26 -5.06 113.70 106.88 1six s SER 129 Ca 0.02 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.58 1six s SER 129 Cb 0.09 0.47 0.53 0.00 0.10 0.00 0.00 66.02 67.21 1six s SER 129 CO 0.70 -0.75 1.73 -0.26 0.98 0.00 0.00 173.24 175.64 1six h PHE 130 N 2.04 0.12 -0.87 5.02 -1.00 -1.90 -2.35 116.94 117.99 1six h PHE 130 Ca -0.27 -0.03 0.16 0.00 2.81 0.00 0.00 57.97 60.64 1six h PHE 130 Cb 1.26 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 40.70 1six h PHE 130 CO 0.25 0.53 0.44 -0.44 -1.61 0.00 0.00 178.31 177.48 1six h ASP 131 N 0.08 0.51 -0.46 2.17 3.32 -1.94 0.35 116.42 120.46 1six h ASP 131 Ca 0.00 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.25 1six h ASP 131 Cb 0.82 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.30 1six h ASP 131 CO 0.06 0.18 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.18 1six h GLU 132 N 0.59 -0.15 0.00 3.56 3.07 -1.83 0.17 114.58 119.98 1six h GLU 132 Ca 0.49 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1six h GLU 132 Cb 0.76 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1six h GLU 132 CO -0.40 -0.10 0.00 0.00 -1.40 0.00 0.00 179.01 177.11 1six n ALA 133 N -2.98 1.79 -2.46 3.43 0.00 -0.47 -4.85 120.51 114.97 1six n ALA 133 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 1six n ALA 133 Cb 0.32 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1six n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1six n GLY 134 N 0.13 0.18 1.94 0.00 0.00 0.59 -5.03 105.19 103.01 1six n GLY 134 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1six n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1six n LEU 135 N -2.01 0.82 -0.06 0.99 4.77 0.11 -4.98 117.00 116.64 1six n LEU 135 Ca -0.09 -2.40 -0.03 0.00 -0.03 0.00 0.00 56.01 53.46 1six n LEU 135 Cb 0.55 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 1six n LEU 135 CO 0.20 0.85 -0.26 0.00 -1.33 0.00 0.00 177.39 176.85 1six h ALA 136 N 1.40 0.00 -1.73 -1.18 0.00 -1.88 -3.44 119.26 112.43 1six h ALA 136 Ca -0.25 -0.40 -0.56 0.00 0.00 0.00 0.00 54.91 53.69 1six h ALA 136 Cb 1.61 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1six h ALA 136 CO 0.07 0.38 1.08 0.45 0.00 0.00 0.00 179.25 181.23 1six s SER 137 N -5.44 6.26 0.38 0.00 0.15 -1.26 -4.86 113.70 108.94 1six s SER 137 Ca -0.11 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1six s SER 137 Cb 0.02 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1six s SER 137 CO 0.16 -1.52 0.11 0.42 1.20 0.00 0.00 173.24 173.61 1six s THR 138 N 5.67 0.71 -0.67 6.45 -4.23 -1.26 -5.02 115.64 117.29 1six s THR 138 Ca 0.59 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 1six s THR 138 Cb -0.13 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.36 1six s THR 138 CO 0.31 0.00 1.31 -1.54 -0.54 0.00 0.00 174.62 174.15 1six n SER 139 N -1.14 0.24 0.03 3.99 3.41 -1.26 -3.82 113.62 115.08 1six n SER 139 Ca -0.05 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1six n SER 139 Cb 0.65 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1six n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1six n ARG 140 N -1.82 0.00 0.00 4.33 1.74 -1.26 -5.13 116.66 114.52 1six n ARG 140 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1six n ARG 140 Cb 0.03 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1six n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1six n GLY 141 N 2.83 -1.04 0.97 -0.13 0.00 -1.25 -4.28 105.19 102.30 1six n GLY 141 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1six n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1six n ASP 142 N 0.22 2.33 -4.30 1.61 10.43 -1.26 -4.82 116.55 120.77 1six n ASP 142 Ca 0.00 -1.61 -0.33 0.00 2.57 0.00 0.00 54.79 55.41 1six n ASP 142 Cb 0.00 -0.40 -0.15 0.00 1.84 0.00 0.00 41.12 42.41 1six n ASP 142 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1six s GLY 143 N 0.93 1.52 0.00 0.44 0.00 -1.26 -5.31 107.32 103.65 1six s GLY 143 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1six s GLY 143 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.77