#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fx2 s LYS 3 N 0.00 3.05 -0.04 0.00 1.02 -1.26 -2.10 119.74 120.41 3fx2 s LYS 3 Ca 0.00 -0.86 -0.00 0.00 0.02 0.00 0.00 55.97 55.13 3fx2 s LYS 3 Cb 0.00 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 3fx2 s LYS 3 CO 0.00 -0.39 0.00 0.00 -0.92 0.00 0.00 175.35 174.05 3fx2 s ALA 4 N 1.44 3.29 -0.11 5.17 0.00 -0.25 0.16 121.76 131.46 3fx2 s ALA 4 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3fx2 s ALA 4 Cb -0.17 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3fx2 s ALA 4 CO -0.01 0.62 -0.12 -1.17 0.00 0.00 0.00 175.76 175.09 3fx2 s LEU 5 N -1.26 2.83 -0.17 0.00 2.96 0.20 -0.49 118.68 122.75 3fx2 s LEU 5 Ca 0.17 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3fx2 s LEU 5 Cb -0.11 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.98 3fx2 s LEU 5 CO 0.07 0.22 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.58 3fx2 s ILE 6 N 0.05 1.47 -0.18 6.68 1.01 0.30 0.24 121.20 130.77 3fx2 s ILE 6 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3fx2 s ILE 6 Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3fx2 s ILE 6 CO 0.04 0.26 -0.00 -0.69 0.00 0.00 0.00 174.94 174.55 3fx2 s VAL 7 N 1.49 4.11 0.04 2.92 1.01 -0.81 0.40 120.40 129.56 3fx2 s VAL 7 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3fx2 s VAL 7 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3fx2 s VAL 7 CO -0.09 0.46 -0.05 -0.72 0.00 0.00 0.00 175.10 174.71 3fx2 s TYR 8 N 0.60 0.48 -0.21 5.22 -0.85 0.15 -1.97 117.35 120.76 3fx2 s TYR 8 Ca -0.01 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 55.86 3fx2 s TYR 8 Cb -0.14 -0.32 0.02 0.00 0.38 0.00 0.00 41.96 41.90 3fx2 s TYR 8 CO 0.02 -0.20 -0.13 0.20 -1.52 0.00 0.00 175.55 173.92 3fx2 s GLY 9 N -1.96 1.50 -0.03 5.49 0.00 -0.65 0.12 107.32 111.79 3fx2 s GLY 9 Ca -0.07 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.39 3fx2 s GLY 9 CO -0.03 0.38 -0.07 -0.45 0.00 0.00 0.00 173.10 172.93 3fx2 s SER 10 N 1.33 1.04 -0.15 1.64 0.15 -1.26 -3.29 113.70 113.17 3fx2 s SER 10 Ca 0.04 -0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 3fx2 s SER 10 Cb -0.14 -0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 3fx2 s SER 10 CO -0.09 0.01 -0.18 0.41 1.20 0.00 0.00 173.24 174.60 3fx2 n THR 11 N 3.59 1.44 -0.96 6.45 -1.04 -1.26 -4.49 114.28 118.01 3fx2 n THR 11 Ca -0.21 0.18 0.08 0.00 -2.04 0.00 0.00 64.05 62.06 3fx2 n THR 11 Cb 0.53 -2.36 0.33 0.00 -1.82 0.00 0.00 70.33 67.01 3fx2 n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3fx2 n THR 12 N -4.58 2.51 -1.59 12.58 -2.24 -1.26 -4.95 114.28 114.76 3fx2 n THR 12 Ca -0.11 -1.68 -0.13 0.00 -2.27 0.00 0.00 64.05 59.87 3fx2 n THR 12 Cb 0.34 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 3fx2 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fx2 n GLY 13 N -0.01 1.04 0.06 3.38 0.00 -1.26 -4.94 105.19 103.46 3fx2 n GLY 13 Ca 0.24 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3fx2 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fx2 h ASN 14 N 0.00 -0.00 0.03 1.61 2.35 -1.94 -2.31 115.58 115.33 3fx2 h ASN 14 Ca -0.28 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.05 3fx2 h ASN 14 Cb 0.95 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 3fx2 h ASN 14 CO 0.39 0.70 -0.02 0.74 -1.65 0.00 0.00 177.43 177.59 3fx2 h THR 15 N -1.00 0.75 -0.13 2.81 2.02 -1.92 -1.81 112.91 113.63 3fx2 h THR 15 Ca -0.00 -0.07 -0.19 0.00 0.77 0.00 0.00 66.41 66.92 3fx2 h THR 15 Cb 0.42 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3fx2 h THR 15 CO 0.00 0.02 -0.69 -0.08 0.37 0.00 0.00 175.52 175.14 3fx2 h GLU 16 N 0.00 0.55 -0.46 6.66 4.81 -1.85 -1.30 114.58 122.99 3fx2 h GLU 16 Ca -0.00 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3fx2 h GLU 16 Cb 0.04 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3fx2 h GLU 16 CO 0.00 1.04 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.36 3fx2 h TYR 17 N 0.39 0.86 -0.04 0.92 5.03 -1.20 -2.57 116.97 120.36 3fx2 h TYR 17 Ca -0.02 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 3fx2 h TYR 17 Cb 1.27 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 3fx2 h TYR 17 CO 0.05 0.81 0.02 1.15 -1.32 0.00 0.00 178.16 178.88 3fx2 h THR 18 N 0.73 1.11 -0.78 1.81 2.02 -1.25 -1.73 112.91 114.82 3fx2 h THR 18 Ca 0.14 -0.33 0.12 0.00 0.77 0.00 0.00 66.41 67.11 3fx2 h THR 18 Cb 0.51 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 3fx2 h THR 18 CO 0.03 0.09 0.51 0.00 0.37 0.00 0.00 175.52 176.52 3fx2 h ALA 19 N 0.88 1.90 -0.27 6.16 0.00 -1.09 0.23 119.26 127.08 3fx2 h ALA 19 Ca 0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3fx2 h ALA 19 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fx2 h ALA 19 CO -0.00 -0.09 -0.35 0.93 0.00 0.00 0.00 179.25 179.74 3fx2 h GLU 20 N 0.60 0.71 0.20 0.00 5.08 -1.30 -1.34 114.58 118.52 3fx2 h GLU 20 Ca 0.37 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3fx2 h GLU 20 Cb 0.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3fx2 h GLU 20 CO -0.14 1.02 -0.10 1.15 -1.00 0.00 0.00 179.01 179.95 3fx2 h THR 21 N 0.44 0.87 -1.00 1.13 2.02 -0.70 -1.98 112.91 113.69 3fx2 h THR 21 Ca 0.03 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.83 3fx2 h THR 21 Cb 0.93 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.41 3fx2 h THR 21 CO 0.08 0.10 0.66 0.40 0.37 0.00 0.00 175.52 177.13 3fx2 h ILE 22 N -0.48 1.18 -0.09 3.11 2.04 -0.96 -2.31 117.51 120.00 3fx2 h ILE 22 Ca -0.03 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3fx2 h ILE 22 Cb 0.37 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3fx2 h ILE 22 CO 0.05 0.23 0.03 0.00 0.00 0.00 0.00 178.15 178.46 3fx2 h ALA 23 N 1.41 0.09 -0.46 1.87 0.00 -1.03 -1.92 119.26 119.22 3fx2 h ALA 23 Ca 0.40 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 3fx2 h ALA 23 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fx2 h ALA 23 CO -0.12 -0.44 -0.05 -0.09 0.00 0.00 0.00 179.25 178.56 3fx2 h ARG 24 N 0.07 0.85 -0.41 0.00 9.65 -1.31 -0.01 114.38 123.23 3fx2 h ARG 24 Ca 0.04 -0.29 0.05 0.00 -1.10 0.00 0.00 59.98 58.67 3fx2 h ARG 24 Cb 0.02 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.49 3fx2 h ARG 24 CO -0.04 0.92 0.14 0.93 2.80 0.00 0.00 179.97 184.72 3fx2 h GLU 25 N 0.69 0.29 0.30 0.20 4.39 -1.29 0.02 114.58 119.19 3fx2 h GLU 25 Ca 0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3fx2 h GLU 25 Cb 0.57 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3fx2 h GLU 25 CO 0.03 0.19 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.86 3fx2 h LEU 26 N 0.30 -0.35 0.04 1.33 3.38 -1.21 -2.50 115.31 116.30 3fx2 h LEU 26 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3fx2 h LEU 26 Cb 0.18 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3fx2 h LEU 26 CO -0.20 -0.24 -0.07 0.00 0.09 0.00 0.00 178.44 178.02 3fx2 h ALA 27 N 0.29 -0.11 0.00 1.53 0.00 -0.89 0.77 119.26 120.84 3fx2 h ALA 27 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fx2 h ALA 27 Cb 0.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fx2 h ALA 27 CO 0.07 -0.58 0.01 -0.44 0.00 0.00 0.00 179.25 178.31 3fx2 h ASP 28 N -0.15 0.00 0.56 0.00 3.32 -0.99 -0.75 116.42 118.42 3fx2 h ASP 28 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fx2 h ASP 28 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fx2 h ASP 28 CO -0.05 0.00 -0.45 0.00 -1.72 0.00 0.00 179.24 177.03 3fx2 n ALA 29 N -2.02 3.40 0.00 3.45 0.00 -0.81 -4.92 120.51 119.61 3fx2 n ALA 29 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3fx2 n ALA 29 Cb 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3fx2 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fx2 n GLY 30 N 1.50 0.83 3.83 0.00 0.00 -0.29 -5.11 105.19 105.95 3fx2 n GLY 30 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3fx2 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fx2 s TYR 31 N -2.00 3.28 -0.22 1.61 1.51 0.20 -4.67 117.35 117.05 3fx2 s TYR 31 Ca 0.00 1.51 -0.20 0.00 -1.01 0.00 0.00 57.07 57.37 3fx2 s TYR 31 Cb 0.00 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.95 3fx2 s TYR 31 CO 0.00 -0.56 0.59 -1.21 -1.11 0.00 0.00 175.55 173.26 3fx2 s GLU 32 N -3.88 4.15 -0.24 -0.62 2.02 -0.89 -4.22 118.70 115.02 3fx2 s GLU 32 Ca 0.61 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 56.10 3fx2 s GLU 32 Cb -0.12 -3.61 0.03 0.00 0.10 0.00 0.00 34.13 30.53 3fx2 s GLU 32 CO 0.29 -0.29 -0.08 0.08 0.02 0.00 0.00 175.26 175.28 3fx2 s VAL 33 N 2.09 2.72 -0.43 2.63 1.01 -1.26 -1.09 120.40 126.07 3fx2 s VAL 33 Ca 0.26 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3fx2 s VAL 33 Cb -0.16 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.91 3fx2 s VAL 33 CO 0.09 0.22 0.31 -0.62 0.00 0.00 0.00 175.10 175.11 3fx2 s ASP 34 N 1.30 5.95 -0.32 3.32 -1.08 0.36 -5.00 116.67 121.19 3fx2 s ASP 34 Ca -0.00 -1.22 -0.12 0.00 -0.52 0.00 0.00 52.55 50.69 3fx2 s ASP 34 Cb -0.16 -2.10 -0.03 0.00 -1.46 0.00 0.00 42.92 39.16 3fx2 s ASP 34 CO -0.05 -0.53 0.23 -0.55 0.52 0.00 0.00 175.17 174.78 3fx2 s SER 35 N 2.11 6.05 -0.04 -0.34 0.15 -1.26 0.11 113.70 120.48 3fx2 s SER 35 Ca 0.04 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3fx2 s SER 35 Cb -0.22 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3fx2 s SER 35 CO 0.06 -0.18 -0.04 -0.13 1.20 0.00 0.00 173.24 174.15 3fx2 s ARG 36 N 1.75 0.79 0.21 5.44 0.52 0.16 -4.98 118.95 122.85 3fx2 s ARG 36 Ca 0.07 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 3fx2 s ARG 36 Cb -0.17 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.40 3fx2 s ARG 36 CO 0.11 -0.09 1.28 0.34 0.02 0.00 0.00 175.30 176.96 3fx2 s ASP 37 N 0.93 6.94 0.58 0.23 -1.08 -1.26 -0.68 116.67 122.34 3fx2 s ASP 37 Ca -0.11 2.39 0.35 0.00 -0.52 0.00 0.00 52.55 54.66 3fx2 s ASP 37 Cb -0.14 -2.61 1.77 0.00 -1.46 0.00 0.00 42.92 40.48 3fx2 s ASP 37 CO -0.00 -0.48 2.16 0.00 0.52 0.00 0.00 175.17 177.37 3fx2 h ALA 38 N 5.07 1.12 -0.93 3.66 0.00 0.70 -3.05 119.26 125.82 3fx2 h ALA 38 Ca -0.45 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.66 3fx2 h ALA 38 Cb 1.22 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 3fx2 h ALA 38 CO 0.75 0.05 0.02 0.00 0.00 0.00 0.00 179.25 180.07 3fx2 h ALA 39 N 1.96 1.06 0.00 0.00 0.00 -1.79 -2.46 119.26 118.03 3fx2 h ALA 39 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3fx2 h ALA 39 Cb 0.26 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fx2 h ALA 39 CO 0.01 -0.52 -1.15 -1.13 0.00 0.00 0.00 179.25 176.46 3fx2 n SER 40 N -5.45 0.58 -4.91 0.00 3.41 -1.16 -5.04 113.62 101.05 3fx2 n SER 40 Ca 0.20 -0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.43 3fx2 n SER 40 Cb 0.67 0.89 0.08 0.00 -0.26 0.00 0.00 64.21 65.59 3fx2 n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3fx2 s VAL 41 N -3.26 2.25 -0.04 -3.33 -7.23 -0.93 -5.06 120.40 102.80 3fx2 s VAL 41 Ca 0.02 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 3fx2 s VAL 41 Cb 0.14 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 34.05 3fx2 s VAL 41 CO 0.81 -0.07 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.90 3fx2 s GLU 42 N -5.45 0.64 0.24 4.82 2.02 -1.26 -4.99 118.70 114.72 3fx2 s GLU 42 Ca 0.61 -0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.50 3fx2 s GLU 42 Cb -0.11 -0.72 0.24 0.00 0.10 0.00 0.00 34.13 33.63 3fx2 s GLU 42 CO 0.48 -0.11 1.90 0.00 0.02 0.00 0.00 175.26 177.55 3fx2 h ALA 43 N 7.26 1.22 -1.35 5.21 0.00 -1.90 -3.38 119.26 126.33 3fx2 h ALA 43 Ca -0.38 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 53.78 3fx2 h ALA 43 Cb 1.14 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3fx2 h ALA 43 CO 0.46 0.66 1.44 0.41 0.00 0.00 0.00 179.25 182.22 3fx2 n GLY 44 N -1.28 0.65 2.32 0.00 0.00 -1.25 -1.60 105.19 104.03 3fx2 n GLY 44 Ca 0.11 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 46.88 3fx2 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fx2 n GLY 45 N 6.32 0.03 0.33 -0.02 0.00 -0.42 -4.90 105.19 106.53 3fx2 n GLY 45 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3fx2 n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fx2 h LEU 46 N 0.00 0.55 0.00 0.99 5.85 -0.82 -0.81 115.31 121.08 3fx2 h LEU 46 Ca -0.31 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3fx2 h LEU 46 Cb 1.14 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3fx2 h LEU 46 CO 0.39 0.15 -0.38 0.49 -0.34 0.00 0.00 178.44 178.75 3fx2 n PHE 47 N -4.90 0.71 -1.67 1.25 3.72 -0.57 -4.93 117.46 111.07 3fx2 n PHE 47 Ca 0.21 0.21 -0.47 0.00 -0.05 0.00 0.00 57.45 57.35 3fx2 n PHE 47 Cb 0.58 -0.77 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 3fx2 n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fx2 n GLU 48 N -2.18 2.10 -0.53 -1.08 1.02 -0.31 -2.24 120.64 117.43 3fx2 n GLU 48 Ca 0.04 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3fx2 n GLU 48 Cb 0.44 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 3fx2 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fx2 n GLY 49 N 3.64 0.75 3.50 0.62 0.00 -1.26 -5.05 105.19 107.39 3fx2 n GLY 49 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fx2 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fx2 s PHE 50 N -2.36 2.90 -0.12 1.61 0.08 -0.95 -4.83 117.98 114.32 3fx2 s PHE 50 Ca 0.00 -0.22 0.15 0.00 0.12 0.00 0.00 56.93 56.99 3fx2 s PHE 50 Cb 0.00 -1.79 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 3fx2 s PHE 50 CO 0.00 0.11 1.11 -0.44 -0.10 0.00 0.00 175.22 175.90 3fx2 h ASP 51 N 5.92 0.00 -3.51 1.36 3.32 0.12 -3.46 116.42 120.18 3fx2 h ASP 51 Ca -0.39 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.39 3fx2 h ASP 51 Cb 1.18 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 3fx2 h ASP 51 CO 0.55 0.57 -0.67 -0.22 -1.72 0.00 0.00 179.24 177.75 3fx2 s LEU 52 N -6.12 1.00 -0.23 1.55 2.96 -0.48 -4.37 118.68 113.00 3fx2 s LEU 52 Ca 0.00 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3fx2 s LEU 52 Cb 0.08 0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.93 3fx2 s LEU 52 CO 0.78 -0.13 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.86 3fx2 s VAL 53 N 1.02 2.29 -0.26 1.68 1.01 -0.82 0.58 120.40 125.90 3fx2 s VAL 53 Ca -0.08 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 3fx2 s VAL 53 Cb -0.11 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3fx2 s VAL 53 CO -0.04 0.24 0.04 -0.76 0.00 0.00 0.00 175.10 174.59 3fx2 s LEU 54 N 1.22 3.42 -0.17 3.92 1.43 0.14 -2.36 118.68 126.28 3fx2 s LEU 54 Ca -0.02 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3fx2 s LEU 54 Cb -0.17 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3fx2 s LEU 54 CO -0.08 -0.08 0.02 -0.76 0.23 0.00 0.00 176.35 175.68 3fx2 s LEU 55 N 1.55 3.54 -0.03 1.79 1.43 -0.15 -1.92 118.68 124.89 3fx2 s LEU 55 Ca 0.05 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3fx2 s LEU 55 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3fx2 s LEU 55 CO 0.01 0.16 -0.20 -0.83 0.23 0.00 0.00 176.35 175.72 3fx2 s GLY 56 N 0.41 1.03 -0.28 -3.19 0.00 -0.83 -0.07 107.32 104.38 3fx2 s GLY 56 Ca -0.00 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 3fx2 s GLY 56 CO 0.02 -0.65 0.90 0.00 0.00 0.00 0.00 173.10 173.36 3fx2 s SER 58 N 0.64 6.00 -0.18 0.00 1.04 -1.21 -3.89 113.70 116.10 3fx2 s SER 58 Ca -0.01 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 3fx2 s SER 58 Cb -0.05 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 3fx2 s SER 58 CO -0.08 -1.02 -0.06 -0.89 0.98 0.00 0.00 173.24 172.17 3fx2 s THR 59 N -3.20 3.42 0.22 2.02 2.01 -1.06 -2.04 115.64 117.00 3fx2 s THR 59 Ca 0.56 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.07 3fx2 s THR 59 Cb -0.11 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 3fx2 s THR 59 CO 0.54 0.47 0.07 0.79 -0.69 0.00 0.00 174.62 175.79 3fx2 n TRP 60 N 4.16 0.14 0.00 4.92 7.02 0.11 -4.86 117.44 128.93 3fx2 n TRP 60 Ca -0.18 -1.34 0.00 0.00 -1.02 0.00 0.00 57.50 54.96 3fx2 n TRP 60 Cb 0.52 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 3fx2 n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fx2 n GLY 61 N 0.88 3.08 5.00 6.99 0.00 -1.26 -2.33 105.19 117.54 3fx2 n GLY 61 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3fx2 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fx2 n ASP 62 N 0.07 0.00 -0.60 1.61 -0.08 -1.26 -3.90 116.55 112.38 3fx2 n ASP 62 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 3fx2 n ASP 62 Cb 0.00 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.50 3fx2 n ASP 62 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3fx2 n ASP 63 N 3.63 2.20 -4.08 1.67 5.75 -1.26 -4.31 116.55 120.16 3fx2 n ASP 63 Ca 0.00 -1.60 -0.10 0.00 -0.01 0.00 0.00 54.79 53.08 3fx2 n ASP 63 Cb 0.00 0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 3fx2 n ASP 63 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fx2 s SER 64 N -1.85 0.10 -0.22 -1.12 1.04 -1.25 -5.06 113.70 105.34 3fx2 s SER 64 Ca 0.19 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 3fx2 s SER 64 Cb 0.15 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3fx2 s SER 64 CO 0.35 -0.89 0.43 -0.63 0.98 0.00 0.00 173.24 173.47 3fx2 s ILE 65 N -4.05 5.17 -0.08 -1.02 1.01 -1.26 -4.28 121.20 116.69 3fx2 s ILE 65 Ca 0.26 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.68 3fx2 s ILE 65 Cb 0.04 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.77 3fx2 s ILE 65 CO 0.06 0.21 -0.14 -1.61 0.00 0.00 0.00 174.94 173.46 3fx2 s GLU 66 N 1.56 1.95 0.45 2.79 2.02 -0.98 -4.98 118.70 121.50 3fx2 s GLU 66 Ca 0.20 -0.49 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 3fx2 s GLU 66 Cb -0.15 -1.60 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 3fx2 s GLU 66 CO 0.09 0.03 1.14 -0.51 0.02 0.00 0.00 175.26 176.03 3fx2 s LEU 67 N 0.70 4.04 0.10 1.80 1.02 -1.26 0.06 118.68 125.14 3fx2 s LEU 67 Ca -0.13 2.26 -0.36 0.00 0.02 0.00 0.00 54.13 55.92 3fx2 s LEU 67 Cb -0.16 -4.22 -0.17 0.00 0.02 0.00 0.00 46.19 41.65 3fx2 s LEU 67 CO 0.03 -0.83 1.14 1.67 0.02 0.00 0.00 176.35 178.38 3fx2 n GLN 68 N -0.39 0.72 -0.25 1.70 0.00 -0.86 -4.71 117.38 113.59 3fx2 n GLN 68 Ca 0.07 0.26 -0.03 0.00 -0.00 0.00 0.00 57.00 57.30 3fx2 n GLN 68 Cb 0.48 -1.76 0.03 0.00 0.00 0.00 0.00 30.24 29.00 3fx2 n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3fx2 h ASP 69 N 3.43 -1.10 -0.08 1.69 3.58 -1.93 -0.76 116.42 121.25 3fx2 h ASP 69 Ca -0.46 0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.26 3fx2 h ASP 69 Cb 1.37 0.59 -0.00 0.00 1.72 0.00 0.00 39.33 43.01 3fx2 h ASP 69 CO 0.70 -0.29 0.07 0.44 -2.88 0.00 0.00 179.24 177.28 3fx2 h ASP 70 N -0.09 0.00 -0.07 2.28 3.32 -1.93 -3.23 116.42 116.70 3fx2 h ASP 70 Ca 0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 3fx2 h ASP 70 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 3fx2 h ASP 70 CO -0.77 0.00 -0.90 0.15 -1.72 0.00 0.00 179.24 176.00 3fx2 h PHE 71 N 0.00 1.05 -0.87 4.55 3.04 -1.46 -3.36 116.94 119.89 3fx2 h PHE 71 Ca 0.04 -0.51 0.11 0.00 3.98 0.00 0.00 57.97 61.58 3fx2 h PHE 71 Cb 0.17 -0.14 -0.13 0.00 2.56 0.00 0.00 35.95 38.41 3fx2 h PHE 71 CO 0.00 1.35 -0.47 0.82 -2.02 0.00 0.00 178.31 177.98 3fx2 h ILE 72 N 0.47 0.02 -0.71 1.41 2.04 -1.52 -1.72 117.51 117.51 3fx2 h ILE 72 Ca -0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.92 3fx2 h ILE 72 Cb 1.54 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 37.54 3fx2 h ILE 72 CO 0.18 0.00 0.17 -0.65 0.00 0.00 0.00 178.15 177.85 3fx2 h PRO 73 N -0.07 0.26 -0.05 2.37 0.11 -1.80 1.30 132.00 134.11 3fx2 h PRO 73 Ca 0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3fx2 h PRO 73 Cb 0.52 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3fx2 h PRO 73 CO -0.88 0.17 0.01 1.25 -0.21 0.00 0.00 178.00 178.34 3fx2 h LEU 74 N 0.27 0.08 -0.45 2.35 5.85 -1.60 -2.48 115.31 119.33 3fx2 h LEU 74 Ca 0.39 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3fx2 h LEU 74 Cb 0.65 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 3fx2 h LEU 74 CO -0.49 0.31 -0.16 0.15 -0.34 0.00 0.00 178.44 177.91 3fx2 h PHE 75 N -0.15 -0.38 -0.82 1.25 3.57 -0.51 0.29 116.94 120.20 3fx2 h PHE 75 Ca 0.02 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.70 3fx2 h PHE 75 Cb 0.26 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 3fx2 h PHE 75 CO 0.01 -0.24 0.41 -0.44 -2.23 0.00 0.00 178.31 175.82 3fx2 h ASP 76 N -0.06 0.49 -0.37 0.41 3.32 0.20 -3.06 116.42 117.36 3fx2 h ASP 76 Ca 0.22 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3fx2 h ASP 76 Cb 0.39 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3fx2 h ASP 76 CO -0.49 0.22 0.00 -1.20 -1.72 0.00 0.00 179.24 176.05 3fx2 n SER 77 N -4.88 2.00 -0.32 6.45 7.64 -0.55 -4.67 113.62 119.30 3fx2 n SER 77 Ca 0.16 -1.98 0.31 0.00 1.01 0.00 0.00 58.87 58.36 3fx2 n SER 77 Cb 0.40 -0.24 0.66 0.00 -1.01 0.00 0.00 64.21 64.02 3fx2 n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fx2 h LEU 78 N 2.21 0.17 0.00 -3.43 3.38 -0.88 0.27 115.31 117.03 3fx2 h LEU 78 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fx2 h LEU 78 Cb 0.50 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3fx2 h LEU 78 CO 0.00 0.02 0.00 1.21 0.09 0.00 0.00 178.44 179.76 3fx2 n GLU 79 N -4.36 0.10 -0.14 1.13 2.13 -1.26 -1.50 120.64 116.74 3fx2 n GLU 79 Ca 0.26 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.34 3fx2 n GLU 79 Cb 1.12 -1.50 0.12 0.00 0.27 0.00 0.00 31.44 31.45 3fx2 n GLU 79 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3fx2 n GLU 80 N -1.27 2.59 0.07 5.31 0.28 0.96 -4.62 120.64 123.96 3fx2 n GLU 80 Ca 0.03 -2.12 0.12 0.00 -0.16 0.00 0.00 57.16 55.02 3fx2 n GLU 80 Cb 0.05 -1.33 0.03 0.00 1.43 0.00 0.00 31.44 31.62 3fx2 n GLU 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3fx2 n THR 81 N -0.42 0.44 -1.18 3.84 -2.24 -0.56 -1.30 114.28 112.87 3fx2 n THR 81 Ca 0.10 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3fx2 n THR 81 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3fx2 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fx2 n GLY 82 N 1.26 0.71 0.09 3.38 0.00 -1.26 -1.52 105.19 107.84 3fx2 n GLY 82 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 3fx2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx2 h ALA 83 N 0.00 0.50 -2.63 4.61 0.00 -1.90 -3.42 119.26 116.42 3fx2 h ALA 83 Ca 0.00 -0.83 -0.52 0.00 0.00 0.00 0.00 54.91 53.56 3fx2 h ALA 83 Cb 0.68 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.48 3fx2 h ALA 83 CO 0.00 1.08 0.94 -1.14 0.00 0.00 0.00 179.25 180.13 3fx2 s GLN 84 N -2.79 4.17 0.00 0.00 2.00 -1.26 -2.33 119.66 119.46 3fx2 s GLN 84 Ca 0.01 2.48 0.00 0.00 -2.00 0.00 0.00 55.36 55.85 3fx2 s GLN 84 Cb 0.09 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.78 3fx2 s GLN 84 CO 0.80 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 175.32 3fx2 n GLY 85 N 3.86 2.61 3.70 2.59 0.00 -0.01 -4.86 105.19 113.08 3fx2 n GLY 85 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3fx2 n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fx2 n ARG 86 N -1.24 2.36 -2.68 1.61 3.00 -0.98 -4.55 116.66 114.17 3fx2 n ARG 86 Ca 0.00 0.84 -0.43 0.00 -0.00 0.00 0.00 57.85 58.26 3fx2 n ARG 86 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 32.46 29.86 3fx2 n ARG 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3fx2 s LYS 87 N -0.25 4.12 0.04 -0.14 1.02 -1.26 0.83 119.74 124.10 3fx2 s LYS 87 Ca 0.68 1.11 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 3fx2 s LYS 87 Cb -0.58 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.00 3fx2 s LYS 87 CO 0.47 -0.79 -0.04 0.14 -0.92 0.00 0.00 175.35 174.22 3fx2 s VAL 88 N 3.42 0.22 0.05 3.17 -7.23 0.02 -1.95 120.40 118.11 3fx2 s VAL 88 Ca 0.43 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3fx2 s VAL 88 Cb -0.13 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 3fx2 s VAL 88 CO 0.12 -0.70 0.03 0.00 -0.31 0.00 0.00 175.10 174.24 3fx2 s ALA 89 N -2.48 0.26 0.07 1.32 0.00 -0.99 -1.23 121.76 118.70 3fx2 s ALA 89 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3fx2 s ALA 89 Cb -0.03 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3fx2 s ALA 89 CO -0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 175.76 175.26 3fx2 s PHE 91 N -1.96 -0.24 0.00 0.00 -0.71 0.89 -0.75 117.98 115.21 3fx2 s PHE 91 Ca -0.02 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 3fx2 s PHE 91 Cb -0.06 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 3fx2 s PHE 91 CO -0.00 -0.65 0.00 0.41 -1.34 0.00 0.00 175.22 173.64 3fx2 n GLY 92 N 0.10 0.92 3.79 1.99 0.00 0.30 -0.54 105.19 111.74 3fx2 n GLY 92 Ca -0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3fx2 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx2 n GLY 94 N 0.97 2.17 2.94 0.00 0.00 0.40 -2.57 105.19 109.11 3fx2 n GLY 94 Ca -0.12 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3fx2 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fx2 s ASP 95 N -0.99 0.57 0.00 1.61 -1.08 -1.26 -1.27 116.67 114.25 3fx2 s ASP 95 Ca 0.00 0.38 0.02 0.00 -0.52 0.00 0.00 52.55 52.43 3fx2 s ASP 95 Cb 0.00 0.66 0.08 0.00 -1.46 0.00 0.00 42.92 42.20 3fx2 s ASP 95 CO 0.00 -0.26 0.86 -1.54 0.52 0.00 0.00 175.17 174.74 3fx2 n SER 96 N 5.35 0.00 0.09 -0.34 3.41 -1.26 -2.12 113.62 118.74 3fx2 n SER 96 Ca -0.06 0.27 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 3fx2 n SER 96 Cb 0.50 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3fx2 n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3fx2 h SER 97 N 0.00 0.00 -4.34 4.04 4.64 -1.99 -3.45 113.55 112.45 3fx2 h SER 97 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3fx2 h SER 97 Cb 0.01 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3fx2 h SER 97 CO 0.00 0.85 0.41 -0.31 -0.87 0.00 0.00 176.83 176.91 3fx2 s TYR 98 N -2.90 3.51 0.15 4.77 2.02 -0.90 -4.99 117.35 119.00 3fx2 s TYR 98 Ca 0.01 1.33 -0.17 0.00 -0.37 0.00 0.00 57.07 57.87 3fx2 s TYR 98 Cb 0.10 -2.76 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 3fx2 s TYR 98 CO 0.80 -0.78 1.74 1.49 -1.57 0.00 0.00 175.55 177.24 3fx2 h GLU 99 N -0.28 0.22 -3.11 -0.62 4.57 -1.87 -3.30 114.58 110.18 3fx2 h GLU 99 Ca -0.44 -0.01 -0.74 0.00 -1.18 0.00 0.00 59.36 56.98 3fx2 h GLU 99 Cb 1.19 -0.05 -0.32 0.00 -0.16 0.00 0.00 28.75 29.41 3fx2 h GLU 99 CO 0.61 0.14 0.22 0.66 -1.18 0.00 0.00 179.01 179.46 3fx2 n TYR 100 N -5.05 3.85 -1.64 0.92 4.01 -1.26 -5.07 117.16 112.92 3fx2 n TYR 100 Ca 0.00 -3.65 -0.45 0.00 -0.16 0.00 0.00 57.90 53.64 3fx2 n TYR 100 Cb 0.12 -1.23 -0.04 0.00 -0.31 0.00 0.00 39.34 37.88 3fx2 n TYR 100 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3fx2 n PHE 101 N 1.91 2.26 -4.10 -0.72 7.35 -1.24 -2.98 117.46 119.93 3fx2 n PHE 101 Ca 0.25 -0.13 -0.32 0.00 -0.76 0.00 0.00 57.45 56.48 3fx2 n PHE 101 Cb 0.37 -2.71 -0.02 0.00 0.35 0.00 0.00 39.48 37.47 3fx2 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fx2 h GLY 103 N -1.69 0.00 1.50 0.00 0.00 -1.92 -1.62 103.07 99.34 3fx2 h GLY 103 Ca -0.60 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 3fx2 h GLY 103 CO 0.72 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.95 3fx2 h ALA 104 N 1.98 0.96 -0.10 3.60 0.00 -1.87 -2.10 119.26 121.73 3fx2 h ALA 104 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3fx2 h ALA 104 Cb 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fx2 h ALA 104 CO 0.00 0.61 0.05 0.28 0.00 0.00 0.00 179.25 180.19 3fx2 h VAL 105 N 0.49 1.11 -0.33 0.00 2.07 -1.53 -1.64 116.25 116.42 3fx2 h VAL 105 Ca 0.06 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3fx2 h VAL 105 Cb 0.77 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3fx2 h VAL 105 CO 0.06 0.10 -0.28 0.44 0.02 0.00 0.00 177.57 177.91 3fx2 h ASP 106 N 0.05 -0.97 -0.24 0.57 5.19 -1.55 -1.69 116.42 117.78 3fx2 h ASP 106 Ca 0.04 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3fx2 h ASP 106 Cb 0.11 0.41 -0.07 0.00 0.18 0.00 0.00 39.33 39.96 3fx2 h ASP 106 CO -0.00 -0.16 -0.48 0.00 -3.12 0.00 0.00 179.24 175.48 3fx2 h ALA 107 N -0.50 -0.66 0.07 3.45 0.00 -1.17 -1.91 119.26 118.54 3fx2 h ALA 107 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fx2 h ALA 107 Cb 0.25 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3fx2 h ALA 107 CO -0.36 -0.97 -0.25 0.82 0.00 0.00 0.00 179.25 178.48 3fx2 h ILE 108 N -0.47 0.44 -0.50 0.00 2.04 -1.18 -1.33 117.51 116.51 3fx2 h ILE 108 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3fx2 h ILE 108 Cb 0.63 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 3fx2 h ILE 108 CO -0.48 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.42 3fx2 h GLU 109 N -0.43 0.20 -0.65 2.37 5.08 -1.19 0.11 114.58 120.07 3fx2 h GLU 109 Ca 0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3fx2 h GLU 109 Cb 0.48 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3fx2 h GLU 109 CO -0.17 0.13 0.38 1.49 -1.00 0.00 0.00 179.01 179.84 3fx2 h GLU 110 N 0.21 0.70 -0.46 2.33 4.57 -1.24 0.48 114.58 121.17 3fx2 h GLU 110 Ca 0.25 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3fx2 h GLU 110 Cb 0.35 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3fx2 h GLU 110 CO -0.35 0.46 0.10 -0.22 -1.18 0.00 0.00 179.01 177.82 3fx2 h LYS 111 N 0.72 0.74 0.09 1.92 1.63 -0.72 0.17 116.57 121.13 3fx2 h LYS 111 Ca 0.28 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3fx2 h LYS 111 Cb 0.10 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3fx2 h LYS 111 CO -0.14 0.75 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.26 3fx2 h LEU 112 N 0.62 -0.78 -0.66 5.20 3.38 0.26 -1.61 115.31 121.71 3fx2 h LEU 112 Ca 0.14 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.34 3fx2 h LEU 112 Cb 0.35 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 3fx2 h LEU 112 CO 0.00 -0.35 0.09 0.11 0.09 0.00 0.00 178.44 178.38 3fx2 h LYS 113 N -0.46 0.19 0.00 1.13 1.57 0.24 -1.83 116.57 117.40 3fx2 h LYS 113 Ca 0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3fx2 h LYS 113 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3fx2 h LYS 113 CO -0.18 0.13 -0.35 -0.91 -0.57 0.00 0.00 179.45 177.57 3fx2 h ASN 114 N 0.20 0.00 0.82 0.86 2.35 -0.82 -2.87 115.58 116.11 3fx2 h ASN 114 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3fx2 h ASN 114 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3fx2 h ASN 114 CO -0.50 0.35 0.00 -0.07 -1.65 0.00 0.00 177.43 175.56 3fx2 h LEU 115 N 0.00 0.00 0.00 1.61 3.38 -0.53 -3.47 115.31 116.30 3fx2 h LEU 115 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fx2 h LEU 115 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3fx2 h LEU 115 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3fx2 n GLY 116 N -0.09 1.02 3.82 0.83 0.00 -1.08 -4.01 105.19 105.68 3fx2 n GLY 116 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3fx2 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx2 s ALA 117 N -2.00 2.58 -0.33 4.61 0.00 -0.76 -0.83 121.76 125.03 3fx2 s ALA 117 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 3fx2 s ALA 117 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3fx2 s ALA 117 CO 0.00 -1.36 0.17 -2.00 0.00 0.00 0.00 175.76 172.57 3fx2 s GLU 118 N -5.13 3.19 -0.56 0.00 2.12 0.24 -4.50 118.70 114.06 3fx2 s GLU 118 Ca 0.59 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.83 3fx2 s GLU 118 Cb -0.14 -3.61 0.04 0.00 0.26 0.00 0.00 34.13 30.68 3fx2 s GLU 118 CO 0.54 -0.50 1.05 0.42 -0.54 0.00 0.00 175.26 176.24 3fx2 s ILE 119 N 1.59 4.22 -0.97 -3.70 1.01 -1.26 -0.80 121.20 121.30 3fx2 s ILE 119 Ca 0.04 0.56 0.28 0.00 0.00 0.00 0.00 60.65 61.53 3fx2 s ILE 119 Cb -0.18 -4.62 0.23 0.00 0.01 0.00 0.00 42.46 37.90 3fx2 s ILE 119 CO 0.06 -1.21 1.87 1.33 0.00 0.00 0.00 174.94 176.99 3fx2 n VAL 120 N 6.41 0.07 -3.50 2.92 0.24 -0.37 -4.83 118.33 119.28 3fx2 n VAL 120 Ca 0.05 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 62.16 3fx2 n VAL 120 Cb 0.48 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 3fx2 n VAL 120 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3fx2 s GLN 121 N -3.01 1.08 0.45 7.34 2.00 -1.26 -4.82 119.66 121.44 3fx2 s GLN 121 Ca 0.13 0.04 -0.20 0.00 -2.00 0.00 0.00 55.36 53.33 3fx2 s GLN 121 Cb 0.18 0.51 -0.10 0.00 0.80 0.00 0.00 33.01 34.40 3fx2 s GLN 121 CO 0.55 -0.38 0.97 0.16 -0.50 0.00 0.00 175.29 176.09 3fx2 s ASP 122 N -1.63 6.82 0.31 6.67 1.47 -1.26 -4.62 116.67 124.42 3fx2 s ASP 122 Ca -0.07 1.71 -0.27 0.00 1.18 0.00 0.00 52.55 55.10 3fx2 s ASP 122 Cb -0.00 -2.54 -0.14 0.00 -0.34 0.00 0.00 42.92 39.90 3fx2 s ASP 122 CO 0.03 -0.45 0.99 0.61 0.68 0.00 0.00 175.17 177.03 3fx2 n GLY 123 N -0.68 -0.31 3.59 2.12 0.00 -1.26 -4.85 105.19 103.80 3fx2 n GLY 123 Ca 0.07 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 3fx2 n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fx2 s LEU 124 N 0.42 4.17 -0.74 0.99 2.96 0.07 -4.94 118.68 121.60 3fx2 s LEU 124 Ca 0.59 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 3fx2 s LEU 124 Cb -0.68 -2.80 0.19 0.00 0.50 0.00 0.00 46.19 43.40 3fx2 s LEU 124 CO 0.60 -0.50 0.61 -0.13 -1.32 0.00 0.00 176.35 175.61 3fx2 s ARG 125 N 2.62 3.03 -0.04 1.98 0.52 -1.26 -0.54 118.95 125.25 3fx2 s ARG 125 Ca 0.25 -2.67 -0.27 0.00 -0.52 0.00 0.00 55.73 52.51 3fx2 s ARG 125 Cb -0.15 -3.99 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 3fx2 s ARG 125 CO 0.12 -1.22 0.87 0.42 0.02 0.00 0.00 175.30 175.51 3fx2 s ILE 126 N -0.28 4.93 -0.33 1.52 1.01 0.12 -4.96 121.20 123.21 3fx2 s ILE 126 Ca 0.20 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 3fx2 s ILE 126 Cb -0.15 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3fx2 s ILE 126 CO -0.06 0.17 0.18 -0.62 0.00 0.00 0.00 174.94 174.61 3fx2 s ASP 127 N 0.95 5.68 0.00 3.58 2.15 -1.26 -0.45 116.67 127.32 3fx2 s ASP 127 Ca 0.45 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.80 3fx2 s ASP 127 Cb -0.19 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3fx2 s ASP 127 CO 0.23 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 3fx2 n GLY 128 N 5.01 -1.39 3.67 2.66 0.00 -0.40 -4.82 105.19 109.91 3fx2 n GLY 128 Ca -0.13 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3fx2 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fx2 s ASP 129 N -4.00 7.02 0.51 1.61 -1.08 -1.26 -4.74 116.67 114.73 3fx2 s ASP 129 Ca 0.00 1.26 0.34 0.00 -0.52 0.00 0.00 52.55 53.63 3fx2 s ASP 129 Cb 0.00 -2.49 1.52 0.00 -1.46 0.00 0.00 42.92 40.50 3fx2 s ASP 129 CO 0.00 -0.49 2.00 1.55 0.52 0.00 0.00 175.17 178.75 3fx2 h PRO 130 N 7.38 0.00 0.00 4.34 0.13 -1.87 -2.05 132.00 139.92 3fx2 h PRO 130 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3fx2 h PRO 130 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3fx2 h PRO 130 CO 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 3fx2 h ARG 131 N 0.00 0.00 -0.48 0.86 3.08 -1.93 -0.67 114.38 115.24 3fx2 h ARG 131 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fx2 h ARG 131 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3fx2 h ARG 131 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3fx2 n ALA 132 N -1.83 2.33 -2.02 0.04 0.00 -0.77 -3.99 120.51 114.26 3fx2 n ALA 132 Ca -0.00 -1.13 0.02 0.00 0.00 0.00 0.00 53.44 52.33 3fx2 n ALA 132 Cb 0.13 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.90 3fx2 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fx2 n ALA 133 N 1.17 2.21 -0.33 0.00 0.00 -0.31 -4.90 120.51 118.36 3fx2 n ALA 133 Ca 0.18 -1.66 0.18 0.00 0.00 0.00 0.00 53.44 52.14 3fx2 n ALA 133 Cb 0.53 -0.55 0.39 0.00 0.00 0.00 0.00 19.45 19.82 3fx2 n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fx2 h ARG 134 N 0.32 0.39 -0.07 0.00 2.43 -1.55 0.15 114.38 116.04 3fx2 h ARG 134 Ca -0.06 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3fx2 h ARG 134 Cb 1.47 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3fx2 h ARG 134 CO 0.03 0.26 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.98 3fx2 h ASP 135 N 0.40 0.42 -0.71 -3.80 3.32 -1.90 -1.36 116.42 112.78 3fx2 h ASP 135 Ca 0.64 -0.64 0.12 0.00 0.02 0.00 0.00 57.03 57.17 3fx2 h ASP 135 Cb 1.33 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 3fx2 h ASP 135 CO -0.56 0.99 0.30 0.44 -1.72 0.00 0.00 179.24 178.69 3fx2 h ASP 136 N -0.13 0.31 0.72 6.45 3.32 -1.15 -0.45 116.42 125.49 3fx2 h ASP 136 Ca -0.02 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3fx2 h ASP 136 Cb 0.97 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.59 3fx2 h ASP 136 CO 0.07 0.15 -0.34 0.40 -1.72 0.00 0.00 179.24 177.80 3fx2 h ILE 137 N 0.48 0.26 -0.60 0.35 2.04 -1.08 -1.55 117.51 117.40 3fx2 h ILE 137 Ca 0.37 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 66.25 3fx2 h ILE 137 Cb 0.50 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 3fx2 h ILE 137 CO -0.35 0.01 0.19 0.58 0.00 0.00 0.00 178.15 178.58 3fx2 h VAL 138 N -1.02 0.72 -0.95 1.67 2.07 -0.45 -2.50 116.25 115.79 3fx2 h VAL 138 Ca -0.10 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3fx2 h VAL 138 Cb 0.75 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3fx2 h VAL 138 CO 0.16 0.06 0.63 1.23 0.02 0.00 0.00 177.57 179.67 3fx2 h GLY 139 N 0.34 1.34 1.44 2.17 0.00 -1.13 -2.68 103.07 104.55 3fx2 h GLY 139 Ca 0.31 -0.50 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 3fx2 h GLY 139 CO -0.35 0.49 -0.72 -0.25 0.00 0.00 0.00 176.54 175.72 3fx2 h TRP 140 N 1.29 0.74 -0.56 5.60 7.01 -0.90 -1.34 115.95 127.79 3fx2 h TRP 140 Ca 0.35 -0.32 0.03 0.00 2.11 0.00 0.00 58.89 61.06 3fx2 h TRP 140 Cb -0.14 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.76 3fx2 h TRP 140 CO 0.00 1.10 0.33 0.00 -2.79 0.00 0.00 178.44 177.07 3fx2 h ALA 141 N 0.82 0.73 0.91 2.65 0.00 -1.34 -0.76 119.26 122.27 3fx2 h ALA 141 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3fx2 h ALA 141 Cb 1.31 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3fx2 h ALA 141 CO 0.13 0.03 -0.44 1.25 0.00 0.00 0.00 179.25 180.22 3fx2 h HIS 142 N 0.64 -1.13 0.00 0.00 -0.00 -1.49 -2.77 115.15 110.40 3fx2 h HIS 142 Ca 0.23 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3fx2 h HIS 142 Cb 0.06 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 3fx2 h HIS 142 CO -0.07 -0.71 -0.18 -0.44 -0.00 0.00 0.00 177.93 176.53 3fx2 h ASP 143 N -1.23 0.00 -0.54 3.26 3.32 -1.02 -2.87 116.42 117.35 3fx2 h ASP 143 Ca -0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 3fx2 h ASP 143 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3fx2 h ASP 143 CO 0.21 0.18 -0.02 -0.37 -1.72 0.00 0.00 179.24 177.51 3fx2 h VAL 144 N 0.00 1.27 -0.46 -1.35 -1.51 -0.98 -2.72 116.25 110.50 3fx2 h VAL 144 Ca -0.00 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 3fx2 h VAL 144 Cb 0.39 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 3fx2 h VAL 144 CO 0.02 0.41 0.30 0.03 -1.23 0.00 0.00 177.57 177.10 3fx2 h ARG 145 N 0.84 0.61 0.00 5.19 3.08 -1.28 -2.31 114.38 120.51 3fx2 h ARG 145 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fx2 h ARG 145 Cb 0.57 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3fx2 h ARG 145 CO 0.03 0.41 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 3fx2 n GLY 146 N -1.19 -0.75 0.22 0.04 0.00 -1.12 -1.99 105.19 100.39 3fx2 n GLY 146 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3fx2 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx2 n ALA 147 N -1.37 2.17 0.99 4.61 0.00 -0.89 -5.06 120.51 120.95 3fx2 n ALA 147 Ca 0.04 -0.93 0.12 0.00 0.00 0.00 0.00 53.44 52.67 3fx2 n ALA 147 Cb 0.11 -0.15 0.10 0.00 0.00 0.00 0.00 19.45 19.50 3fx2 n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94