#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt6 s LYS 3 N 0.00 3.09 0.11 0.00 1.02 -1.26 0.26 119.74 122.97 1xt6 s LYS 3 Ca 0.00 -0.78 0.07 0.00 0.02 0.00 0.00 55.97 55.28 1xt6 s LYS 3 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1xt6 s LYS 3 CO 0.00 -0.20 -0.07 0.00 -0.92 0.00 0.00 175.35 174.16 1xt6 s ALA 4 N 1.32 3.04 -0.09 5.17 0.00 0.38 0.09 121.76 131.66 1xt6 s ALA 4 Ca 0.05 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1xt6 s ALA 4 Cb -0.13 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1xt6 s ALA 4 CO -0.10 0.63 -0.14 -1.17 0.00 0.00 0.00 175.76 174.97 1xt6 s LEU 5 N -2.34 1.69 -0.24 0.00 2.96 -0.27 -0.84 118.68 119.64 1xt6 s LEU 5 Ca 0.23 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1xt6 s LEU 5 Cb -0.11 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1xt6 s LEU 5 CO 0.15 0.02 0.00 -0.63 -1.32 0.00 0.00 176.35 174.58 1xt6 s ILE 6 N 0.87 3.67 -0.14 6.68 1.01 -0.56 -0.45 121.20 132.29 1xt6 s ILE 6 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1xt6 s ILE 6 Cb -0.15 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 1xt6 s ILE 6 CO 0.01 0.34 -0.17 -0.69 0.00 0.00 0.00 174.94 174.43 1xt6 s VAL 7 N 1.51 2.61 0.07 2.92 1.01 0.06 -0.44 120.40 128.14 1xt6 s VAL 7 Ca 0.05 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1xt6 s VAL 7 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1xt6 s VAL 7 CO -0.01 0.53 -0.19 -0.72 0.00 0.00 0.00 175.10 174.71 1xt6 s TYR 8 N 0.62 1.66 -0.13 5.22 -0.85 -0.87 -0.08 117.35 122.92 1xt6 s TYR 8 Ca -0.09 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 1xt6 s TYR 8 Cb -0.16 -0.95 0.01 0.00 0.38 0.00 0.00 41.96 41.24 1xt6 s TYR 8 CO 0.03 0.13 -0.20 0.20 -1.52 0.00 0.00 175.55 174.19 1xt6 s GLY 9 N -1.53 1.26 -0.08 5.49 0.00 -0.07 0.45 107.32 112.84 1xt6 s GLY 9 Ca 0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1xt6 s GLY 9 CO 0.03 0.05 0.18 -0.45 0.00 0.00 0.00 173.10 172.91 1xt6 s SER 10 N 0.86 0.17 -0.08 1.64 0.15 -1.26 -2.79 113.70 112.38 1xt6 s SER 10 Ca -0.07 0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.83 1xt6 s SER 10 Cb -0.15 0.30 -0.29 0.00 -1.71 0.00 0.00 66.02 64.17 1xt6 s SER 10 CO -0.02 -0.19 0.58 0.74 1.20 0.00 0.00 173.24 175.55 1xt6 h THR 11 N 6.15 0.94 -0.11 6.45 2.02 -1.98 -3.40 112.91 122.97 1xt6 h THR 11 Ca -0.31 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1xt6 h THR 11 Cb 1.13 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 1xt6 h THR 11 CO 0.30 0.79 0.00 0.35 0.37 0.00 0.00 175.52 177.34 1xt6 n THR 12 N -3.73 0.89 -0.23 3.16 -2.24 -1.26 -5.00 114.28 105.87 1xt6 n THR 12 Ca -0.26 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1xt6 n THR 12 Cb 0.99 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1xt6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xt6 n GLY 13 N -0.10 1.51 0.14 3.38 0.00 -1.26 -5.00 105.19 103.85 1xt6 n GLY 13 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1xt6 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xt6 h ASN 14 N 0.00 -0.22 0.54 1.61 2.35 -1.94 0.98 115.58 118.90 1xt6 h ASN 14 Ca 0.00 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1xt6 h ASN 14 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1xt6 h ASN 14 CO 0.00 -0.00 -0.34 0.74 -1.65 0.00 0.00 177.43 176.18 1xt6 h THR 15 N -0.44 1.02 -0.23 2.81 2.02 -1.94 -0.70 112.91 115.45 1xt6 h THR 15 Ca -0.03 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 1xt6 h THR 15 Cb 0.34 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1xt6 h THR 15 CO 0.04 0.34 -0.20 -0.08 0.37 0.00 0.00 175.52 175.99 1xt6 h GLU 16 N 0.00 0.55 -0.88 6.66 4.81 -1.81 0.21 114.58 124.12 1xt6 h GLU 16 Ca -0.00 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1xt6 h GLU 16 Cb 0.71 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1xt6 h GLU 16 CO 0.04 0.86 0.57 -0.92 -0.73 0.00 0.00 179.01 178.84 1xt6 h TYR 17 N 0.25 1.02 -0.48 0.92 5.03 -0.24 0.89 116.97 124.36 1xt6 h TYR 17 Ca 0.04 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.41 1xt6 h TYR 17 Cb 0.75 -0.34 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 1xt6 h TYR 17 CO 0.07 0.54 0.26 1.15 -1.32 0.00 0.00 178.16 178.87 1xt6 h THR 18 N 1.01 1.00 -0.36 1.81 2.02 -0.56 0.14 112.91 117.97 1xt6 h THR 18 Ca 0.37 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.27 1xt6 h THR 18 Cb 0.17 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xt6 h THR 18 CO -0.13 0.09 -0.20 0.00 0.37 0.00 0.00 175.52 175.65 1xt6 h ALA 19 N 1.24 0.50 -0.32 6.16 0.00 -0.02 -0.98 119.26 125.85 1xt6 h ALA 19 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xt6 h ALA 19 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xt6 h ALA 19 CO -0.12 0.46 0.19 0.93 0.00 0.00 0.00 179.25 180.70 1xt6 h GLU 20 N 0.55 0.43 -0.75 0.00 5.08 -0.42 0.44 114.58 119.91 1xt6 h GLU 20 Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1xt6 h GLU 20 Cb 0.75 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1xt6 h GLU 20 CO 0.06 0.34 0.33 1.15 -1.00 0.00 0.00 179.01 179.88 1xt6 h THR 21 N 0.40 1.25 -0.33 1.13 2.02 -0.37 -0.46 112.91 116.56 1xt6 h THR 21 Ca 0.11 -0.74 -0.16 0.00 0.77 0.00 0.00 66.41 66.39 1xt6 h THR 21 Cb 0.02 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1xt6 h THR 21 CO -0.02 0.31 -0.44 0.40 0.37 0.00 0.00 175.52 176.14 1xt6 h ILE 22 N 1.09 1.28 -0.65 3.11 2.04 -0.99 -1.90 117.51 121.48 1xt6 h ILE 22 Ca 0.26 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1xt6 h ILE 22 Cb 0.17 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1xt6 h ILE 22 CO -0.03 0.53 0.24 0.00 0.00 0.00 0.00 178.15 178.90 1xt6 h ALA 23 N 0.81 0.85 -0.48 1.87 0.00 0.26 -0.84 119.26 121.73 1xt6 h ALA 23 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xt6 h ALA 23 Cb 1.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1xt6 h ALA 23 CO 0.10 0.48 0.22 -0.09 0.00 0.00 0.00 179.25 179.97 1xt6 h ARG 24 N 0.92 0.67 0.07 0.00 9.65 -1.01 -0.55 114.38 124.13 1xt6 h ARG 24 Ca 0.21 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1xt6 h ARG 24 Cb 0.24 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1xt6 h ARG 24 CO -0.01 0.53 -0.03 0.93 2.80 0.00 0.00 179.97 184.18 1xt6 h GLU 25 N 0.67 -0.09 -0.75 0.20 4.39 -0.43 0.72 114.58 119.29 1xt6 h GLU 25 Ca 0.17 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1xt6 h GLU 25 Cb 0.08 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1xt6 h GLU 25 CO -0.02 0.39 0.37 -0.07 -1.16 0.00 0.00 179.01 178.51 1xt6 h LEU 26 N -0.62 0.98 -0.59 1.33 3.38 -1.07 -2.27 115.31 116.46 1xt6 h LEU 26 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xt6 h LEU 26 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xt6 h LEU 26 CO 0.02 0.84 0.38 0.00 0.09 0.00 0.00 178.44 179.77 1xt6 h ALA 27 N 1.18 0.75 0.00 1.53 0.00 -0.75 -1.90 119.26 120.07 1xt6 h ALA 27 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xt6 h ALA 27 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xt6 h ALA 27 CO -0.03 0.19 -0.06 -0.44 0.00 0.00 0.00 179.25 178.91 1xt6 h ASP 28 N 0.80 0.00 0.41 0.00 3.32 0.90 -1.72 116.42 120.12 1xt6 h ASP 28 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1xt6 h ASP 28 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1xt6 h ASP 28 CO -0.05 0.06 -0.16 0.00 -1.72 0.00 0.00 179.24 177.38 1xt6 n ALA 29 N -2.31 2.85 0.00 3.45 0.00 -0.89 -4.93 120.51 118.68 1xt6 n ALA 29 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xt6 n ALA 29 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1xt6 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xt6 n GLY 30 N 1.33 1.06 3.80 0.00 0.00 -0.65 -5.10 105.19 105.63 1xt6 n GLY 30 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1xt6 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xt6 s TYR 31 N -2.00 3.13 0.17 1.61 1.51 -0.75 -4.69 117.35 116.33 1xt6 s TYR 31 Ca 0.00 1.60 -0.30 0.00 -1.01 0.00 0.00 57.07 57.36 1xt6 s TYR 31 Cb 0.00 -3.01 -0.07 0.00 -0.11 0.00 0.00 41.96 38.76 1xt6 s TYR 31 CO 0.00 -0.58 0.94 -1.21 -1.11 0.00 0.00 175.55 173.58 1xt6 s GLU 32 N -3.09 4.76 -0.04 -0.62 2.02 0.14 -4.37 118.70 117.49 1xt6 s GLU 32 Ca 0.64 1.44 0.01 0.00 0.02 0.00 0.00 54.97 57.08 1xt6 s GLU 32 Cb -0.15 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.77 1xt6 s GLU 32 CO 0.19 0.37 -0.05 0.08 0.02 0.00 0.00 175.26 175.87 1xt6 s VAL 33 N -0.59 0.59 -0.22 2.63 1.01 -1.26 -0.47 120.40 122.10 1xt6 s VAL 33 Ca 0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xt6 s VAL 33 Cb -0.24 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1xt6 s VAL 33 CO 0.30 0.23 -0.12 -0.62 0.00 0.00 0.00 175.10 174.89 1xt6 s ASP 34 N 0.84 3.81 -0.16 3.32 -1.08 -0.02 -4.99 116.67 118.40 1xt6 s ASP 34 Ca -0.12 -0.76 0.01 0.00 -0.52 0.00 0.00 52.55 51.16 1xt6 s ASP 34 Cb -0.14 -1.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 1xt6 s ASP 34 CO 0.01 -0.06 -0.17 0.00 0.52 0.00 0.00 175.17 175.47 1xt6 s ARG 36 N 0.87 0.38 0.16 0.00 0.52 0.41 -4.97 118.95 116.33 1xt6 s ARG 36 Ca -0.05 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 1xt6 s ARG 36 Cb -0.15 -0.31 -0.08 0.00 0.52 0.00 0.00 34.95 34.93 1xt6 s ARG 36 CO -0.01 0.08 1.19 0.34 0.02 0.00 0.00 175.30 176.92 1xt6 s ASP 37 N -0.45 7.10 0.50 0.23 -1.08 -1.26 -2.05 116.67 119.65 1xt6 s ASP 37 Ca -0.01 2.19 0.27 0.00 -0.52 0.00 0.00 52.55 54.48 1xt6 s ASP 37 Cb -0.04 -2.60 1.30 0.00 -1.46 0.00 0.00 42.92 40.12 1xt6 s ASP 37 CO -0.00 -0.38 1.99 0.00 0.52 0.00 0.00 175.17 177.31 1xt6 h ALA 38 N 5.49 1.17 0.00 3.66 0.00 -0.29 -1.29 119.26 127.99 1xt6 h ALA 38 Ca -0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1xt6 h ALA 38 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xt6 h ALA 38 CO 0.76 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 180.04 1xt6 h ALA 39 N 1.85 1.46 -0.02 0.00 0.00 -1.79 -2.44 119.26 118.32 1xt6 h ALA 39 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xt6 h ALA 39 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xt6 h ALA 39 CO 0.02 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1xt6 n SER 40 N -3.94 0.37 -4.77 0.00 3.41 -0.49 -4.96 113.62 103.24 1xt6 n SER 40 Ca -0.02 -1.25 -0.24 0.00 -0.26 0.00 0.00 58.87 57.10 1xt6 n SER 40 Cb 0.24 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1xt6 n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xt6 s VAL 41 N -1.98 2.45 -0.12 -3.33 -7.23 -0.92 -5.03 120.40 104.24 1xt6 s VAL 41 Ca 0.39 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1xt6 s VAL 41 Cb 0.19 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1xt6 s VAL 41 CO 0.31 -0.02 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.35 1xt6 s GLU 42 N -3.95 2.03 0.52 4.82 0.41 -1.26 -4.94 118.70 116.33 1xt6 s GLU 42 Ca 0.42 -0.47 0.27 0.00 -0.41 0.00 0.00 54.97 54.79 1xt6 s GLU 42 Cb 0.02 -1.86 1.40 0.00 -1.78 0.00 0.00 34.13 31.91 1xt6 s GLU 42 CO 0.24 -0.18 1.94 0.00 -0.49 0.00 0.00 175.26 176.77 1xt6 h ALA 43 N 7.83 2.61 -0.54 5.21 0.00 -1.92 -3.37 119.26 129.07 1xt6 h ALA 43 Ca -0.33 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 1xt6 h ALA 43 Cb 1.15 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1xt6 h ALA 43 CO 0.48 -0.82 1.53 0.41 0.00 0.00 0.00 179.25 180.86 1xt6 n GLY 44 N -1.66 -0.02 2.48 0.00 0.00 -1.26 -2.17 105.19 102.56 1xt6 n GLY 44 Ca 0.14 1.01 -0.03 0.00 0.00 0.00 0.00 46.02 47.14 1xt6 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xt6 n GLY 45 N 6.70 0.27 0.23 -0.02 0.00 -0.21 -4.85 105.19 107.32 1xt6 n GLY 45 Ca 0.52 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.70 1xt6 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xt6 n LEU 46 N -0.41 0.08 -0.32 0.99 7.94 -0.92 0.38 117.00 124.72 1xt6 n LEU 46 Ca -0.03 1.17 0.14 0.00 -1.11 0.00 0.00 56.01 56.18 1xt6 n LEU 46 Cb 0.34 -0.49 0.56 0.00 0.53 0.00 0.00 43.42 44.35 1xt6 n LEU 46 CO 0.04 -1.24 0.86 0.49 -1.11 0.00 0.00 177.39 176.43 1xt6 n PHE 47 N -4.76 0.00 -1.80 1.96 3.72 -0.70 -4.96 117.46 110.91 1xt6 n PHE 47 Ca 0.21 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 1xt6 n PHE 47 Cb 0.71 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 39.19 1xt6 n PHE 47 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xt6 s GLU 48 N -2.17 4.13 0.00 -1.08 2.02 0.16 -2.75 118.70 119.01 1xt6 s GLU 48 Ca 0.35 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.90 1xt6 s GLU 48 Cb 0.21 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1xt6 s GLU 48 CO 0.40 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1xt6 n GLY 49 N 1.44 0.96 3.79 -1.39 0.00 -1.26 -5.05 105.19 103.68 1xt6 n GLY 49 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1xt6 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xt6 s PHE 50 N -3.55 3.54 0.14 1.61 0.08 -1.11 -4.83 117.98 113.86 1xt6 s PHE 50 Ca 0.00 0.62 0.06 0.00 0.12 0.00 0.00 56.93 57.73 1xt6 s PHE 50 Cb 0.00 -2.20 -0.14 0.00 -0.57 0.00 0.00 43.02 40.11 1xt6 s PHE 50 CO 0.00 0.46 1.31 -0.44 -0.10 0.00 0.00 175.22 176.45 1xt6 h ASP 51 N 5.83 0.06 -3.63 1.36 3.32 -0.70 -3.46 116.42 119.19 1xt6 h ASP 51 Ca -0.47 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 56.27 1xt6 h ASP 51 Cb 1.19 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 1xt6 h ASP 51 CO 0.68 0.99 -0.69 -0.22 -1.72 0.00 0.00 179.24 178.28 1xt6 s LEU 52 N -6.90 1.48 -0.05 1.55 2.96 -0.98 -3.98 118.68 112.76 1xt6 s LEU 52 Ca 0.00 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1xt6 s LEU 52 Cb 0.10 0.07 -0.00 0.00 0.50 0.00 0.00 46.19 46.86 1xt6 s LEU 52 CO 0.82 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.92 1xt6 s VAL 53 N 0.51 1.51 -0.07 1.68 1.01 0.83 -1.11 120.40 124.76 1xt6 s VAL 53 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1xt6 s VAL 53 Cb -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1xt6 s VAL 53 CO -0.02 0.43 -0.17 -0.76 0.00 0.00 0.00 175.10 174.59 1xt6 s LEU 54 N 0.14 1.83 -0.12 3.92 1.43 0.40 -1.48 118.68 124.81 1xt6 s LEU 54 Ca -0.07 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1xt6 s LEU 54 Cb -0.13 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.06 1xt6 s LEU 54 CO 0.03 0.09 -0.19 -0.76 0.23 0.00 0.00 176.35 175.76 1xt6 s LEU 55 N 0.46 1.91 -0.05 1.79 1.43 -0.88 -0.76 118.68 122.57 1xt6 s LEU 55 Ca -0.14 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1xt6 s LEU 55 Cb -0.16 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1xt6 s LEU 55 CO 0.05 0.05 -0.24 -0.83 0.23 0.00 0.00 176.35 175.60 1xt6 s GLY 56 N 0.91 1.26 -0.26 -3.19 0.00 0.89 -0.30 107.32 106.62 1xt6 s GLY 56 Ca -0.07 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.54 1xt6 s GLY 56 CO -0.02 -0.64 0.57 0.00 0.00 0.00 0.00 173.10 173.01 1xt6 s SER 58 N 2.64 4.16 -0.09 0.00 1.04 -1.12 -4.08 113.70 116.26 1xt6 s SER 58 Ca -0.05 0.63 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 1xt6 s SER 58 Cb -0.11 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.96 1xt6 s SER 58 CO -0.17 -2.10 -0.07 -0.89 0.98 0.00 0.00 173.24 170.99 1xt6 s THR 59 N -3.64 3.70 0.37 2.02 2.01 -1.11 -2.42 115.64 116.57 1xt6 s THR 59 Ca 0.65 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1xt6 s THR 59 Cb -0.09 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1xt6 s THR 59 CO 0.50 0.58 0.05 0.79 -0.69 0.00 0.00 174.62 175.85 1xt6 n TRP 60 N 2.52 0.57 0.00 4.92 7.02 -0.17 -4.89 117.44 127.41 1xt6 n TRP 60 Ca -0.18 -2.04 0.00 0.00 -1.02 0.00 0.00 57.50 54.26 1xt6 n TRP 60 Cb 0.53 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 1xt6 n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xt6 n GLY 61 N 0.02 2.30 0.15 6.99 0.00 -1.26 -1.19 105.19 112.20 1xt6 n GLY 61 Ca -0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1xt6 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xt6 n ASP 62 N 0.00 0.00 -0.65 1.61 2.03 -1.26 -4.81 116.55 113.47 1xt6 n ASP 62 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1xt6 n ASP 62 Cb 0.00 -0.02 0.16 0.00 -0.72 0.00 0.00 41.12 40.54 1xt6 n ASP 62 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xt6 n ASP 63 N -1.37 1.87 -4.24 1.67 3.85 -1.26 -4.76 116.55 112.30 1xt6 n ASP 63 Ca 0.00 -1.99 -0.15 0.00 -0.71 0.00 0.00 54.79 51.94 1xt6 n ASP 63 Cb 0.00 -0.23 -0.10 0.00 -1.35 0.00 0.00 41.12 39.44 1xt6 n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xt6 s SER 64 N -1.02 1.84 -0.30 -1.12 1.04 -1.26 -5.10 113.70 107.78 1xt6 s SER 64 Ca 0.24 -0.94 -0.20 0.00 0.48 0.00 0.00 55.95 55.54 1xt6 s SER 64 Cb 0.12 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1xt6 s SER 64 CO 0.16 -0.27 0.59 -0.63 0.98 0.00 0.00 173.24 174.08 1xt6 s ILE 65 N -2.90 4.97 0.09 -1.02 1.01 -1.26 -4.20 121.20 117.90 1xt6 s ILE 65 Ca 0.14 0.79 0.08 0.00 0.00 0.00 0.00 60.65 61.66 1xt6 s ILE 65 Cb -0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1xt6 s ILE 65 CO 0.01 -0.11 -0.17 -1.61 0.00 0.00 0.00 174.94 173.06 1xt6 s GLU 66 N 2.53 1.91 0.57 2.79 2.02 -0.33 -5.00 118.70 123.19 1xt6 s GLU 66 Ca 0.24 -1.10 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 1xt6 s GLU 66 Cb -0.15 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1xt6 s GLU 66 CO 0.12 0.50 0.91 -0.51 0.02 0.00 0.00 175.26 176.29 1xt6 s LEU 67 N -1.93 3.35 0.47 1.80 1.02 -1.26 -1.00 118.68 121.14 1xt6 s LEU 67 Ca 0.17 1.00 -0.24 0.00 0.02 0.00 0.00 54.13 55.08 1xt6 s LEU 67 Cb -0.11 -3.92 -0.07 0.00 0.02 0.00 0.00 46.19 42.11 1xt6 s LEU 67 CO 0.09 -0.86 1.32 -1.58 0.02 0.00 0.00 176.35 175.34 1xt6 s GLN 68 N -4.97 3.59 0.32 1.70 -0.44 -1.02 -4.73 119.66 114.11 1xt6 s GLN 68 Ca 0.52 2.17 0.05 0.00 -2.50 0.00 0.00 55.36 55.60 1xt6 s GLN 68 Cb -0.11 -2.51 0.53 0.00 -1.64 0.00 0.00 33.01 29.29 1xt6 s GLN 68 CO 0.48 -0.80 1.80 0.22 0.50 0.00 0.00 175.29 177.48 1xt6 h ASP 69 N 2.09 0.42 0.34 6.67 3.58 -1.94 -1.44 116.42 126.14 1xt6 h ASP 69 Ca -0.50 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 56.79 1xt6 h ASP 69 Cb 1.27 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 1xt6 h ASP 69 CO 0.60 0.61 -0.22 0.44 -2.88 0.00 0.00 179.24 177.79 1xt6 h ASP 70 N 0.40 0.00 1.15 2.28 3.32 -1.94 -2.79 116.42 118.85 1xt6 h ASP 70 Ca 0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1xt6 h ASP 70 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1xt6 h ASP 70 CO 0.03 0.22 -0.89 0.15 -1.72 0.00 0.00 179.24 177.03 1xt6 h PHE 71 N 0.00 0.00 -0.28 4.55 3.04 -1.59 -3.35 116.94 119.32 1xt6 h PHE 71 Ca -0.00 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 1xt6 h PHE 71 Cb 0.45 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.90 1xt6 h PHE 71 CO 0.00 0.37 -0.13 0.82 -2.02 0.00 0.00 178.31 177.35 1xt6 h ILE 72 N 0.00 0.58 -0.37 1.41 2.04 -1.32 -0.90 117.51 118.96 1xt6 h ILE 72 Ca -0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1xt6 h ILE 72 Cb 1.34 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 1xt6 h ILE 72 CO 0.04 0.00 -0.18 -0.65 0.00 0.00 0.00 178.15 177.36 1xt6 h PRO 73 N -0.10 -0.11 -0.58 2.37 0.11 -1.79 -0.30 132.00 131.60 1xt6 h PRO 73 Ca 0.14 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1xt6 h PRO 73 Cb 0.32 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1xt6 h PRO 73 CO -0.34 -0.07 0.34 1.25 -0.21 0.00 0.00 178.00 178.97 1xt6 h LEU 74 N -0.11 0.71 -0.98 2.35 5.85 -1.64 -3.03 115.31 118.46 1xt6 h LEU 74 Ca 0.19 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1xt6 h LEU 74 Cb 0.40 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1xt6 h LEU 74 CO -0.44 0.58 0.61 0.15 -0.34 0.00 0.00 178.44 178.99 1xt6 h PHE 75 N 0.79 1.11 0.00 1.25 3.57 0.29 -1.23 116.94 122.71 1xt6 h PHE 75 Ca 0.21 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1xt6 h PHE 75 Cb 0.01 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1xt6 h PHE 75 CO -0.02 0.45 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.87 1xt6 h ASP 76 N 0.98 0.00 -0.56 0.41 3.32 -1.13 -2.84 116.42 116.60 1xt6 h ASP 76 Ca 0.48 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.33 1xt6 h ASP 76 Cb 0.45 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.88 1xt6 h ASP 76 CO -0.26 0.20 0.16 -1.20 -1.72 0.00 0.00 179.24 176.43 1xt6 n SER 77 N -4.21 3.75 0.25 6.45 7.64 -0.49 -4.58 113.62 122.44 1xt6 n SER 77 Ca -0.02 -3.41 0.12 0.00 1.01 0.00 0.00 58.87 56.57 1xt6 n SER 77 Cb 0.27 -0.68 0.67 0.00 -1.01 0.00 0.00 64.21 63.45 1xt6 n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xt6 h LEU 78 N 1.72 0.00 -2.09 -3.43 3.38 -1.23 -1.17 115.31 112.50 1xt6 h LEU 78 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xt6 h LEU 78 Cb 2.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 1xt6 h LEU 78 CO 0.58 0.14 -0.00 1.05 0.09 0.00 0.00 178.44 180.30 1xt6 h GLU 79 N 0.00 0.00 -0.34 1.13 9.09 -1.85 -2.46 114.58 120.16 1xt6 h GLU 79 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xt6 h GLU 79 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 1xt6 h GLU 79 CO 0.02 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.47 1xt6 n GLU 80 N -3.10 1.70 -0.03 1.06 1.02 -0.44 -4.49 120.64 116.36 1xt6 n GLU 80 Ca -0.01 -0.95 0.05 0.00 -0.02 0.00 0.00 57.16 56.23 1xt6 n GLU 80 Cb 0.21 -1.28 -0.16 0.00 -0.02 0.00 0.00 31.44 30.19 1xt6 n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1xt6 n THR 81 N 0.25 0.38 0.00 2.62 -2.24 -0.93 -1.04 114.28 113.33 1xt6 n THR 81 Ca 0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1xt6 n THR 81 Cb 0.27 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1xt6 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xt6 n GLY 82 N 1.45 1.72 0.02 3.38 0.00 -1.26 -1.73 105.19 108.77 1xt6 n GLY 82 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1xt6 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt6 n ALA 83 N -0.58 2.56 -2.07 4.61 0.00 -1.26 -4.48 120.51 119.29 1xt6 n ALA 83 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1xt6 n ALA 83 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1xt6 n ALA 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1xt6 s GLN 84 N -2.66 4.36 0.00 0.00 2.00 -1.26 -1.78 119.66 120.32 1xt6 s GLN 84 Ca 0.25 2.06 0.00 0.00 -2.00 0.00 0.00 55.36 55.67 1xt6 s GLN 84 Cb 0.20 -3.21 0.00 0.00 0.80 0.00 0.00 33.01 30.79 1xt6 s GLN 84 CO 0.49 -0.32 0.00 0.41 -0.50 0.00 0.00 175.29 175.36 1xt6 n GLY 85 N 2.79 2.30 3.78 2.59 0.00 -0.73 -4.90 105.19 111.01 1xt6 n GLY 85 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1xt6 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xt6 s ARG 86 N 0.00 4.04 -0.18 1.61 6.06 -0.74 -4.51 118.95 125.23 1xt6 s ARG 86 Ca 0.00 2.51 -0.18 0.00 -2.50 0.00 0.00 55.73 55.56 1xt6 s ARG 86 Cb 0.00 -2.91 -0.04 0.00 0.06 0.00 0.00 34.95 32.06 1xt6 s ARG 86 CO 0.00 -0.57 0.48 0.15 -2.50 0.00 0.00 175.30 172.86 1xt6 s LYS 87 N -2.15 4.22 0.02 5.12 1.02 -1.26 0.26 119.74 126.97 1xt6 s LYS 87 Ca 0.54 0.37 -0.07 0.00 0.02 0.00 0.00 55.97 56.83 1xt6 s LYS 87 Cb -0.45 -3.53 -0.00 0.00 -0.52 0.00 0.00 37.83 33.32 1xt6 s LYS 87 CO 0.61 -0.06 0.14 0.14 -0.92 0.00 0.00 175.35 175.26 1xt6 s VAL 88 N 1.35 0.11 0.19 3.17 -7.23 0.12 -0.12 120.40 117.99 1xt6 s VAL 88 Ca 0.23 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1xt6 s VAL 88 Cb -0.15 -0.70 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 1xt6 s VAL 88 CO 0.09 -0.48 0.37 0.00 -0.31 0.00 0.00 175.10 174.77 1xt6 s ALA 89 N -2.08 -0.17 0.10 1.32 0.00 -0.55 -2.42 121.76 117.95 1xt6 s ALA 89 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1xt6 s ALA 89 Cb -0.04 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1xt6 s ALA 89 CO -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 175.76 174.93 1xt6 s PHE 91 N -2.88 0.30 0.00 0.00 -0.71 0.58 -1.03 117.98 114.24 1xt6 s PHE 91 Ca 0.08 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 1xt6 s PHE 91 Cb 0.00 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1xt6 s PHE 91 CO -0.02 -0.97 0.00 0.41 -1.34 0.00 0.00 175.22 173.30 1xt6 n GLY 92 N -0.37 1.13 3.70 1.99 0.00 -0.50 -0.95 105.19 110.19 1xt6 n GLY 92 Ca -0.03 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1xt6 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt6 n GLY 94 N 1.25 3.79 3.54 0.00 0.00 0.15 -2.76 105.19 111.17 1xt6 n GLY 94 Ca -0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1xt6 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xt6 s ASP 95 N 1.85 -0.95 0.60 1.61 -1.08 -1.26 -1.86 116.67 115.58 1xt6 s ASP 95 Ca 0.00 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.69 1xt6 s ASP 95 Cb 0.00 2.08 1.35 0.00 -1.46 0.00 0.00 42.92 44.89 1xt6 s ASP 95 CO 0.00 -0.22 1.74 0.77 0.52 0.00 0.00 175.17 177.98 1xt6 h SER 96 N 8.04 0.00 -0.01 -0.34 4.64 -1.93 -2.62 113.55 121.32 1xt6 h SER 96 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1xt6 h SER 96 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1xt6 h SER 96 CO 0.11 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.53 1xt6 n SER 97 N -2.70 0.12 -4.95 4.97 3.41 -1.26 -4.79 113.62 108.42 1xt6 n SER 97 Ca -0.02 -1.51 -0.24 0.00 -0.26 0.00 0.00 58.87 56.85 1xt6 n SER 97 Cb 0.41 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1xt6 n SER 97 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xt6 s TYR 98 N -1.98 3.48 0.26 7.33 2.02 -0.99 -5.01 117.35 122.46 1xt6 s TYR 98 Ca 0.25 0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 1xt6 s TYR 98 Cb 0.12 -1.77 0.32 0.00 -0.40 0.00 0.00 41.96 40.23 1xt6 s TYR 98 CO 0.19 0.30 1.89 1.49 -1.57 0.00 0.00 175.55 177.86 1xt6 h GLU 99 N 1.25 1.14 -4.82 -0.62 4.81 -1.86 -3.35 114.58 111.12 1xt6 h GLU 99 Ca -0.50 -0.12 -0.67 0.00 -0.13 0.00 0.00 59.36 57.94 1xt6 h GLU 99 Cb 1.21 -0.23 -0.37 0.00 0.63 0.00 0.00 28.75 29.99 1xt6 h GLU 99 CO 0.63 0.83 -0.77 0.71 -0.73 0.00 0.00 179.01 179.67 1xt6 s TYR 100 N -5.79 3.39 -0.15 0.92 2.02 -1.26 -5.04 117.35 111.45 1xt6 s TYR 100 Ca -0.12 -2.46 -0.29 0.00 -0.37 0.00 0.00 57.07 53.82 1xt6 s TYR 100 Cb 0.17 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1xt6 s TYR 100 CO 0.81 -0.89 1.31 0.12 -1.57 0.00 0.00 175.55 175.33 1xt6 s PHE 101 N 1.06 2.76 -1.48 2.71 5.36 -1.26 -2.06 117.98 125.07 1xt6 s PHE 101 Ca -0.04 0.92 -0.06 0.00 -0.96 0.00 0.00 56.93 56.79 1xt6 s PHE 101 Cb -0.20 -3.55 0.05 0.00 -0.34 0.00 0.00 43.02 38.98 1xt6 s PHE 101 CO -0.05 -1.94 0.59 0.00 -1.46 0.00 0.00 175.22 172.35 1xt6 h GLY 103 N -1.79 0.00 1.06 0.00 0.00 -1.81 -2.01 103.07 98.52 1xt6 h GLY 103 Ca -0.61 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1xt6 h GLY 103 CO 0.66 0.00 0.56 0.00 0.00 0.00 0.00 176.54 177.76 1xt6 h ALA 104 N 2.06 1.25 -0.72 3.60 0.00 -1.86 0.28 119.26 123.87 1xt6 h ALA 104 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xt6 h ALA 104 Cb 0.56 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1xt6 h ALA 104 CO 0.00 0.65 0.42 0.28 0.00 0.00 0.00 179.25 180.60 1xt6 h VAL 105 N 1.27 1.01 -0.61 0.00 2.07 -1.60 -0.13 116.25 118.26 1xt6 h VAL 105 Ca 0.33 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1xt6 h VAL 105 Cb -0.06 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1xt6 h VAL 105 CO -0.06 0.14 0.02 0.44 0.02 0.00 0.00 177.57 178.13 1xt6 h ASP 106 N 0.79 1.03 0.31 0.57 3.32 -1.33 -1.53 116.42 119.57 1xt6 h ASP 106 Ca 0.31 -0.28 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 1xt6 h ASP 106 Cb 0.15 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1xt6 h ASP 106 CO -0.16 1.07 -0.71 0.00 -1.72 0.00 0.00 179.24 177.72 1xt6 h ALA 107 N 1.03 0.65 -0.09 3.45 0.00 -0.50 -1.24 119.26 122.57 1xt6 h ALA 107 Ca 0.18 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1xt6 h ALA 107 Cb 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xt6 h ALA 107 CO 0.03 0.77 -0.64 0.82 0.00 0.00 0.00 179.25 180.23 1xt6 h ILE 108 N 0.24 1.34 0.32 0.00 2.04 -0.92 -1.90 117.51 118.62 1xt6 h ILE 108 Ca -0.02 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 1xt6 h ILE 108 Cb 1.27 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1xt6 h ILE 108 CO 0.12 0.59 -0.23 -0.33 0.00 0.00 0.00 178.15 178.29 1xt6 h GLU 109 N 0.22 -0.53 -0.83 2.37 5.08 -0.97 0.48 114.58 120.40 1xt6 h GLU 109 Ca -0.05 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1xt6 h GLU 109 Cb 1.29 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 1xt6 h GLU 109 CO 0.13 -0.35 0.37 0.93 -1.00 0.00 0.00 179.01 179.09 1xt6 h GLU 110 N -0.55 0.47 -0.10 2.33 3.07 -1.30 0.17 114.58 118.67 1xt6 h GLU 110 Ca -0.03 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.58 1xt6 h GLU 110 Cb 0.47 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1xt6 h GLU 110 CO 0.00 0.31 -0.84 -0.22 -1.40 0.00 0.00 179.01 176.87 1xt6 h LYS 111 N 0.49 0.69 -0.35 2.33 3.64 -1.06 -2.26 116.57 120.06 1xt6 h LYS 111 Ca 0.48 -0.61 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1xt6 h LYS 111 Cb 0.77 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1xt6 h LYS 111 CO -0.43 1.22 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.76 1xt6 h LEU 112 N 0.45 0.60 -0.47 5.20 3.38 0.22 -2.79 115.31 121.90 1xt6 h LEU 112 Ca -0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1xt6 h LEU 112 Cb 1.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1xt6 h LEU 112 CO 0.17 0.75 0.08 0.50 0.09 0.00 0.00 178.44 180.03 1xt6 h LYS 113 N 0.56 0.78 -0.94 1.13 3.64 -0.64 -1.59 116.57 119.50 1xt6 h LYS 113 Ca 0.10 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xt6 h LYS 113 Cb 0.55 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1xt6 h LYS 113 CO 0.03 0.79 0.62 -0.91 -2.27 0.00 0.00 179.45 177.71 1xt6 h ASN 114 N 0.65 1.02 0.00 4.20 2.35 -1.15 0.29 115.58 122.94 1xt6 h ASN 114 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1xt6 h ASN 114 Cb 0.38 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1xt6 h ASN 114 CO 0.01 0.70 0.00 0.18 -1.65 0.00 0.00 177.43 176.67 1xt6 n LEU 115 N -4.44 0.00 0.00 1.61 4.77 -0.85 -4.83 117.00 113.26 1xt6 n LEU 115 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1xt6 n LEU 115 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1xt6 n LEU 115 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1xt6 n GLY 116 N 0.02 0.78 3.56 -0.72 0.00 0.10 -4.02 105.19 104.91 1xt6 n GLY 116 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1xt6 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt6 n ALA 117 N 0.00 -0.34 -3.34 4.61 0.00 -0.66 -1.78 120.51 119.01 1xt6 n ALA 117 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1xt6 n ALA 117 Cb 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 1xt6 n ALA 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xt6 s GLU 118 N -2.37 2.66 -0.51 0.00 2.12 0.14 -4.76 118.70 115.98 1xt6 s GLU 118 Ca 0.71 -1.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.14 1xt6 s GLU 118 Cb -0.45 -3.97 0.03 0.00 0.26 0.00 0.00 34.13 29.99 1xt6 s GLU 118 CO 0.51 -1.12 1.22 0.42 -0.54 0.00 0.00 175.26 175.75 1xt6 s ILE 119 N 1.46 4.07 -0.53 -3.70 1.09 -1.26 -0.71 121.20 121.62 1xt6 s ILE 119 Ca 0.04 1.04 0.24 0.00 -1.10 0.00 0.00 60.65 60.87 1xt6 s ILE 119 Cb -0.26 -4.57 0.19 0.00 -1.06 0.00 0.00 42.46 36.76 1xt6 s ILE 119 CO 0.02 -1.09 1.48 -0.37 -0.10 0.00 0.00 174.94 174.88 1xt6 h VAL 120 N 6.26 0.00 -3.12 2.92 -1.51 -1.83 -3.45 116.25 115.53 1xt6 h VAL 120 Ca -0.25 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.34 1xt6 h VAL 120 Cb 1.07 1.53 -0.24 0.00 -2.13 0.00 0.00 31.29 31.52 1xt6 h VAL 120 CO 1.14 0.00 -0.40 -1.58 -1.23 0.00 0.00 177.57 175.51 1xt6 s GLN 121 N -3.20 0.37 0.63 5.19 2.00 -1.26 -4.63 119.66 118.76 1xt6 s GLN 121 Ca 0.06 0.23 -0.18 0.00 -2.00 0.00 0.00 55.36 53.48 1xt6 s GLN 121 Cb 0.10 0.17 -0.05 0.00 0.80 0.00 0.00 33.01 34.04 1xt6 s GLN 121 CO 0.68 -0.06 0.83 -0.25 -0.50 0.00 0.00 175.29 175.99 1xt6 n ASP 122 N 2.59 0.15 -4.77 6.67 10.43 -1.26 -4.60 116.55 125.76 1xt6 n ASP 122 Ca -0.15 0.74 -0.40 0.00 2.57 0.00 0.00 54.79 57.56 1xt6 n ASP 122 Cb 0.58 -1.33 0.00 0.00 1.84 0.00 0.00 41.12 42.21 1xt6 n ASP 122 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1xt6 s GLY 123 N -1.33 2.93 -0.47 0.44 0.00 -1.26 -4.85 107.32 102.78 1xt6 s GLY 123 Ca 0.74 1.36 -0.28 0.00 0.00 0.00 0.00 44.72 46.53 1xt6 s GLY 123 CO 0.50 1.96 1.10 -2.27 0.00 0.00 0.00 173.10 174.39 1xt6 s LEU 124 N -2.50 3.71 -0.29 0.66 2.96 -0.20 -4.99 118.68 118.03 1xt6 s LEU 124 Ca 0.58 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1xt6 s LEU 124 Cb -0.41 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 42.82 1xt6 s LEU 124 CO 0.53 -1.21 0.02 -0.13 -1.32 0.00 0.00 176.35 174.25 1xt6 s ARG 125 N 4.31 2.71 -0.28 1.98 0.52 -1.26 -1.41 118.95 125.52 1xt6 s ARG 125 Ca 0.46 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 1xt6 s ARG 125 Cb -0.08 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1xt6 s ARG 125 CO 0.30 -0.54 0.20 0.42 0.02 0.00 0.00 175.30 175.70 1xt6 s ILE 126 N 1.35 5.31 -0.35 1.52 1.01 -0.78 -5.00 121.20 124.27 1xt6 s ILE 126 Ca -0.01 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 1xt6 s ILE 126 Cb -0.18 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 1xt6 s ILE 126 CO -0.00 0.25 0.53 -0.62 0.00 0.00 0.00 174.94 175.10 1xt6 s ASP 127 N 1.69 6.34 0.00 3.58 2.15 -1.26 -0.68 116.67 128.49 1xt6 s ASP 127 Ca 0.07 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1xt6 s ASP 127 Cb -0.16 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1xt6 s ASP 127 CO 0.10 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 1xt6 n GLY 128 N 4.76 -0.63 3.64 2.66 0.00 -0.78 -4.85 105.19 110.00 1xt6 n GLY 128 Ca -0.04 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1xt6 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xt6 s ASP 129 N -4.00 6.68 0.39 1.61 -1.08 -1.26 -4.80 116.67 114.20 1xt6 s ASP 129 Ca 0.00 1.49 0.13 0.00 -0.52 0.00 0.00 52.55 53.65 1xt6 s ASP 129 Cb 0.00 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.87 1xt6 s ASP 129 CO 0.00 -1.02 1.87 1.55 0.52 0.00 0.00 175.17 178.08 1xt6 h PRO 130 N 9.33 0.53 0.00 4.34 0.13 -1.88 -0.19 132.00 144.26 1xt6 h PRO 130 Ca -0.29 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1xt6 h PRO 130 Cb 1.12 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1xt6 h PRO 130 CO 1.00 0.35 -0.06 0.00 -0.23 0.00 0.00 178.00 179.07 1xt6 h ARG 131 N 0.55 0.00 -0.00 0.86 3.08 -1.94 0.60 114.38 117.53 1xt6 h ARG 131 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1xt6 h ARG 131 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1xt6 h ARG 131 CO -0.19 0.06 -0.09 0.00 -1.07 0.00 0.00 179.97 178.67 1xt6 n ALA 132 N -2.44 2.66 -1.05 0.04 0.00 -0.09 -3.77 120.51 115.87 1xt6 n ALA 132 Ca -0.03 -0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.28 1xt6 n ALA 132 Cb 0.14 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.30 1xt6 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xt6 n ALA 133 N -1.23 2.15 -0.37 0.00 0.00 0.18 -4.66 120.51 116.57 1xt6 n ALA 133 Ca 0.12 -2.10 0.29 0.00 0.00 0.00 0.00 53.44 51.75 1xt6 n ALA 133 Cb 0.29 -0.33 0.58 0.00 0.00 0.00 0.00 19.45 19.98 1xt6 n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xt6 h ARG 134 N 0.00 0.24 0.47 0.00 2.43 -0.85 -2.24 114.38 114.42 1xt6 h ARG 134 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1xt6 h ARG 134 Cb 0.99 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1xt6 h ARG 134 CO 0.00 0.16 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.95 1xt6 h ASP 135 N 0.24 -0.54 -0.57 -3.80 5.19 -1.87 0.14 116.42 115.22 1xt6 h ASP 135 Ca 0.69 -0.07 0.16 0.00 -0.62 0.00 0.00 57.03 57.20 1xt6 h ASP 135 Cb 2.00 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 41.62 1xt6 h ASP 135 CO -0.34 -0.24 0.45 0.44 -3.12 0.00 0.00 179.24 176.43 1xt6 h ASP 136 N -0.83 0.00 0.31 6.45 3.32 -1.78 -1.97 116.42 121.92 1xt6 h ASP 136 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1xt6 h ASP 136 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xt6 h ASP 136 CO 0.11 0.00 -0.15 0.40 -1.72 0.00 0.00 179.24 177.88 1xt6 h ILE 137 N 0.00 0.00 -0.76 0.35 2.04 -1.01 -1.23 117.51 116.91 1xt6 h ILE 137 Ca 0.27 -0.44 0.17 0.00 1.00 0.00 0.00 64.86 65.86 1xt6 h ILE 137 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.13 1xt6 h ILE 137 CO -0.00 0.00 0.18 0.58 0.00 0.00 0.00 178.15 178.91 1xt6 h VAL 138 N -0.85 0.49 -0.14 1.67 2.07 -1.01 -1.13 116.25 117.35 1xt6 h VAL 138 Ca -0.04 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1xt6 h VAL 138 Cb 0.32 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1xt6 h VAL 138 CO 0.07 0.05 -0.15 1.23 0.02 0.00 0.00 177.57 178.79 1xt6 h GLY 139 N 0.26 0.23 1.17 2.17 0.00 -1.36 -1.26 103.07 104.29 1xt6 h GLY 139 Ca 0.43 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.48 1xt6 h GLY 139 CO -0.53 0.14 -0.26 -0.25 0.00 0.00 0.00 176.54 175.63 1xt6 h TRP 140 N 0.21 1.09 -0.16 5.60 7.01 -0.65 0.24 115.95 129.29 1xt6 h TRP 140 Ca 0.04 -0.28 -0.03 0.00 2.11 0.00 0.00 58.89 60.73 1xt6 h TRP 140 Cb 0.39 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1xt6 h TRP 140 CO 0.01 1.09 -0.01 0.00 -2.79 0.00 0.00 178.44 176.73 1xt6 h ALA 141 N 0.89 0.22 -0.39 2.65 0.00 -0.91 0.21 119.26 121.93 1xt6 h ALA 141 Ca 0.10 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xt6 h ALA 141 Cb 0.83 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1xt6 h ALA 141 CO 0.07 -0.06 -0.10 1.25 0.00 0.00 0.00 179.25 180.42 1xt6 h HIS 142 N 0.02 -0.21 -0.37 0.00 -0.00 -1.19 0.92 115.15 114.32 1xt6 h HIS 142 Ca 0.04 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1xt6 h HIS 142 Cb 0.41 0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1xt6 h HIS 142 CO 0.04 -0.17 0.05 -0.44 -0.00 0.00 0.00 177.93 177.41 1xt6 h ASP 143 N 0.00 0.52 0.33 3.26 3.32 -0.06 -2.36 116.42 121.44 1xt6 h ASP 143 Ca 0.19 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1xt6 h ASP 143 Cb 0.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xt6 h ASP 143 CO -0.41 0.56 -0.41 -0.37 -1.72 0.00 0.00 179.24 176.90 1xt6 h VAL 144 N 0.55 1.30 -0.23 -1.35 -1.51 0.14 -2.11 116.25 113.04 1xt6 h VAL 144 Ca 0.12 -1.47 0.06 0.00 -1.23 0.00 0.00 66.70 64.18 1xt6 h VAL 144 Cb 0.28 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1xt6 h VAL 144 CO 0.00 0.43 0.16 0.03 -1.23 0.00 0.00 177.57 176.97 1xt6 h ARG 145 N 0.09 0.05 0.02 5.19 3.08 -0.36 -2.58 114.38 119.88 1xt6 h ARG 145 Ca 0.01 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1xt6 h ARG 145 Cb 0.77 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.82 1xt6 h ARG 145 CO 0.06 0.04 -0.64 0.78 -1.07 0.00 0.00 179.97 179.14 1xt6 h GLY 146 N 0.05 0.44 1.31 0.04 0.00 -1.35 -3.23 103.07 100.34 1xt6 h GLY 146 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1xt6 h GLY 146 CO -0.01 0.72 0.13 0.00 0.00 0.00 0.00 176.54 177.38 1xt6 n ALA 147 N -2.60 0.75 1.71 3.60 0.00 -0.97 -5.15 120.51 117.84 1xt6 n ALA 147 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 1xt6 n ALA 147 Cb 0.70 -0.70 0.70 0.00 0.00 0.00 0.00 19.45 20.14 1xt6 n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61