#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fx4 h ALA 2 N 0.00 0.43 -2.55 3.04 0.00 -1.56 -3.47 119.26 115.16 3fx4 h ALA 2 Ca 0.00 -0.84 -0.54 0.00 0.00 0.00 0.00 54.91 53.53 3fx4 h ALA 2 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3fx4 h ALA 2 CO 0.00 1.12 -0.25 0.00 0.00 0.00 0.00 179.25 180.11 3fx4 s ALA 3 N -2.89 3.74 0.78 0.00 0.00 -1.26 -4.99 121.76 117.13 3fx4 s ALA 3 Ca -0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 3fx4 s ALA 3 Cb 0.10 -2.16 0.08 0.00 0.00 0.00 0.00 23.12 21.14 3fx4 s ALA 3 CO 0.82 0.45 1.13 -1.54 0.00 0.00 0.00 175.76 176.62 3fx4 s SER 4 N -2.90 4.52 0.41 0.00 1.04 -1.26 -4.85 113.70 110.66 3fx4 s SER 4 Ca 0.41 0.62 0.06 0.00 0.48 0.00 0.00 55.95 57.53 3fx4 s SER 4 Cb -0.11 -1.14 -0.07 0.00 0.10 0.00 0.00 66.02 64.79 3fx4 s SER 4 CO 0.27 -1.85 0.02 0.00 0.98 0.00 0.00 173.24 172.66 3fx4 s VAL 6 N -2.79 2.94 -0.29 0.00 -7.23 -0.41 -4.83 120.40 107.80 3fx4 s VAL 6 Ca 0.33 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 3fx4 s VAL 6 Cb 0.09 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3fx4 s VAL 6 CO 0.17 -0.04 0.43 -0.22 -0.31 0.00 0.00 175.10 175.13 3fx4 s LEU 7 N -2.57 4.12 0.72 1.32 2.96 -1.26 -1.11 118.68 122.85 3fx4 s LEU 7 Ca 0.22 0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 3fx4 s LEU 7 Cb -0.09 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3fx4 s LEU 7 CO 0.13 -0.27 1.07 -0.76 -1.32 0.00 0.00 176.35 175.20 3fx4 s LEU 8 N 2.18 3.11 0.49 -0.68 1.43 -0.07 -4.94 118.68 120.21 3fx4 s LEU 8 Ca 0.17 1.69 0.33 0.00 -1.03 0.00 0.00 54.13 55.29 3fx4 s LEU 8 Cb -0.16 -4.51 1.68 0.00 0.03 0.00 0.00 46.19 43.24 3fx4 s LEU 8 CO 0.10 -1.63 2.01 1.12 0.23 0.00 0.00 176.35 178.18 3fx4 h HIS 9 N -0.81 0.00 0.00 0.29 2.07 -1.87 -1.25 115.15 113.58 3fx4 h HIS 9 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 3fx4 h HIS 9 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3fx4 h HIS 9 CO 0.60 0.00 0.00 1.79 -3.07 0.00 0.00 177.93 177.25 3fx4 h THR 10 N 0.00 0.00 0.00 6.12 1.35 -1.96 -3.46 112.91 114.96 3fx4 h THR 10 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3fx4 h THR 10 Cb 0.13 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3fx4 h THR 10 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3fx4 n GLY 11 N 0.74 0.50 3.77 5.82 0.00 -0.47 -5.09 105.19 110.46 3fx4 n GLY 11 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3fx4 n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fx4 s GLN 12 N -0.82 4.40 -0.24 1.61 -0.21 -1.26 -4.80 119.66 118.34 3fx4 s GLN 12 Ca 0.00 2.15 -0.17 0.00 0.02 0.00 0.00 55.36 57.36 3fx4 s GLN 12 Cb 0.00 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 3fx4 s GLN 12 CO 0.00 -0.12 0.47 0.15 -2.12 0.00 0.00 175.29 173.67 3fx4 s LYS 13 N -1.74 4.10 -0.32 2.91 1.02 -1.26 -0.89 119.74 123.57 3fx4 s LYS 13 Ca 0.48 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.66 3fx4 s LYS 13 Cb -0.38 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.33 3fx4 s LYS 13 CO 0.51 -0.24 0.10 1.41 -0.92 0.00 0.00 175.35 176.21 3fx4 s MET 14 N 1.96 2.95 0.27 1.68 1.75 -0.27 -4.94 119.30 122.70 3fx4 s MET 14 Ca 0.20 -0.96 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 3fx4 s MET 14 Cb -0.15 -3.44 -0.13 0.00 2.84 0.00 0.00 34.83 33.95 3fx4 s MET 14 CO 0.09 -0.53 1.41 -2.30 -0.65 0.00 0.00 175.02 173.04 3fx4 n PRO 15 N 4.87 2.16 0.13 4.11 -0.02 -1.26 -1.28 135.00 143.71 3fx4 n PRO 15 Ca -0.14 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3fx4 n PRO 15 Cb 0.47 -2.42 0.49 0.00 -0.02 0.00 0.00 33.50 32.01 3fx4 n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fx4 n LEU 16 N 1.79 0.72 -4.15 2.45 4.77 0.37 -4.41 117.00 118.53 3fx4 n LEU 16 Ca 0.09 0.66 -0.31 0.00 -0.03 0.00 0.00 56.01 56.42 3fx4 n LEU 16 Cb 0.33 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.71 3fx4 n LEU 16 CO 0.63 -0.52 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.00 3fx4 s ILE 17 N -3.30 1.90 0.23 -0.08 -1.09 -1.26 -1.07 121.20 116.52 3fx4 s ILE 17 Ca 0.05 -0.90 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 3fx4 s ILE 17 Cb 0.10 -1.68 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 3fx4 s ILE 17 CO 0.42 0.52 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.73 3fx4 s GLY 18 N 0.72 1.56 -0.34 6.18 0.00 -0.45 -4.52 107.32 110.46 3fx4 s GLY 18 Ca -0.11 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.67 3fx4 s GLY 18 CO 0.01 -1.76 0.59 -2.27 0.00 0.00 0.00 173.10 169.67 3fx4 s LEU 19 N -3.35 4.25 0.51 0.66 2.96 -0.42 -3.09 118.68 120.21 3fx4 s LEU 19 Ca 0.25 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 3fx4 s LEU 19 Cb 0.02 -2.73 -0.07 0.00 0.50 0.00 0.00 46.19 43.91 3fx4 s LEU 19 CO 0.08 -0.53 1.09 -0.83 -1.32 0.00 0.00 176.35 174.85 3fx4 s GLY 20 N 1.75 2.60 0.00 7.98 0.00 -0.80 -1.64 107.32 117.20 3fx4 s GLY 20 Ca 0.23 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3fx4 s GLY 20 CO 0.14 1.08 0.44 -1.30 0.00 0.00 0.00 173.10 173.46 3fx4 n THR 21 N -1.07 0.19 -1.90 0.90 -2.24 -1.19 -4.21 114.28 104.77 3fx4 n THR 21 Ca 0.10 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3fx4 n THR 21 Cb 0.51 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3fx4 n THR 21 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3fx4 s TRP 22 N -0.19 1.97 0.00 4.78 -0.00 -1.26 -2.21 118.94 122.03 3fx4 s TRP 22 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.10 56.18 3fx4 s TRP 22 Cb 0.00 -4.01 0.00 0.00 -0.00 0.00 0.00 33.47 29.46 3fx4 s TRP 22 CO 0.00 -4.26 0.00 1.63 -0.00 0.00 0.00 176.95 174.32 3fx4 n LYS 23 N 6.69 -0.00 -2.52 5.86 5.02 -1.26 -4.99 118.16 126.96 3fx4 n LYS 23 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 3fx4 n LYS 23 Cb 0.42 -2.57 -0.02 0.00 -0.02 0.00 0.00 35.03 32.84 3fx4 n LYS 23 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3fx4 s SER 24 N -2.88 6.40 0.50 4.39 0.01 -0.94 -5.00 113.70 116.18 3fx4 s SER 24 Ca 0.00 0.26 -0.15 0.00 1.31 0.00 0.00 55.95 57.38 3fx4 s SER 24 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 3fx4 s SER 24 CO 0.00 -1.49 0.94 -1.61 0.41 0.00 0.00 173.24 171.49 3fx4 s GLU 25 N 4.99 3.89 0.22 12.44 2.02 -1.26 -4.59 118.70 136.41 3fx4 s GLU 25 Ca 0.47 0.84 -0.32 0.00 0.02 0.00 0.00 54.97 55.98 3fx4 s GLU 25 Cb -0.09 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.83 3fx4 s GLU 25 CO 0.27 -0.24 1.52 -2.30 0.02 0.00 0.00 175.26 174.52 3fx4 n PRO 26 N -1.61 2.22 0.00 0.39 -0.02 -1.26 -0.91 135.00 133.81 3fx4 n PRO 26 Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3fx4 n PRO 26 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3fx4 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fx4 n GLY 27 N 2.73 1.79 0.00 -1.23 0.00 -1.26 -4.82 105.19 102.39 3fx4 n GLY 27 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3fx4 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fx4 n GLN 28 N -1.91 2.54 0.07 1.61 10.64 -0.23 -4.91 117.38 125.19 3fx4 n GLN 28 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 3fx4 n GLN 28 Cb 0.00 -0.84 0.36 0.00 -0.86 0.00 0.00 30.24 28.90 3fx4 n GLN 28 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 3fx4 h VAL 29 N 0.00 1.18 -0.63 -0.39 3.04 -1.27 -2.49 116.25 115.69 3fx4 h VAL 29 Ca 0.00 -0.73 0.03 0.00 -1.01 0.00 0.00 66.70 64.98 3fx4 h VAL 29 Cb 0.69 1.06 -0.04 0.00 -2.01 0.00 0.00 31.29 30.99 3fx4 h VAL 29 CO 0.00 0.24 0.39 0.50 -1.01 0.00 0.00 177.57 177.69 3fx4 h LYS 30 N 0.35 0.73 -0.43 4.17 3.64 -1.84 0.20 116.57 123.41 3fx4 h LYS 30 Ca 0.07 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3fx4 h LYS 30 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3fx4 h LYS 30 CO 0.01 0.49 -0.14 0.00 -2.27 0.00 0.00 179.45 177.54 3fx4 h ALA 31 N 1.28 0.59 -0.44 5.00 0.00 -1.83 -2.43 119.26 121.44 3fx4 h ALA 31 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fx4 h ALA 31 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fx4 h ALA 31 CO -0.11 0.51 0.26 0.00 0.00 0.00 0.00 179.25 179.91 3fx4 h ALA 32 N 0.85 0.56 -0.53 0.00 0.00 -1.04 -1.14 119.26 117.94 3fx4 h ALA 32 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fx4 h ALA 32 Cb 0.69 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3fx4 h ALA 32 CO 0.05 0.06 0.34 0.82 0.00 0.00 0.00 179.25 180.51 3fx4 h ILE 33 N 0.58 1.10 -0.32 0.00 1.08 -0.92 -1.57 117.51 117.46 3fx4 h ILE 33 Ca 0.16 -0.23 -0.17 0.00 -0.39 0.00 0.00 64.86 64.23 3fx4 h ILE 33 Cb 0.01 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3fx4 h ILE 33 CO -0.03 0.12 -0.45 0.11 -0.69 0.00 0.00 178.15 177.21 3fx4 h LYS 34 N 0.68 0.87 0.22 2.37 1.57 -1.28 -1.64 116.57 119.36 3fx4 h LYS 34 Ca 0.21 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3fx4 h LYS 34 Cb -0.03 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3fx4 h LYS 34 CO -0.07 1.15 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.93 3fx4 h TYR 35 N 0.66 -0.28 -0.38 -1.35 5.03 -1.18 -1.80 116.97 117.66 3fx4 h TYR 35 Ca 0.03 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.42 3fx4 h TYR 35 Cb 1.05 0.09 -0.08 0.00 1.55 0.00 0.00 36.73 39.34 3fx4 h TYR 35 CO 0.07 -0.08 -0.17 0.00 -1.32 0.00 0.00 178.16 176.66 3fx4 h ALA 36 N 0.33 0.12 -0.94 1.82 0.00 -1.25 -0.63 119.26 118.71 3fx4 h ALA 36 Ca -0.03 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fx4 h ALA 36 Cb 0.32 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3fx4 h ALA 36 CO 0.05 -0.54 0.59 -0.07 0.00 0.00 0.00 179.25 179.27 3fx4 h LEU 37 N -0.10 1.11 -0.51 0.00 3.38 -1.31 0.63 115.31 118.51 3fx4 h LEU 37 Ca 0.19 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3fx4 h LEU 37 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3fx4 h LEU 37 CO -0.45 0.84 0.02 0.74 0.09 0.00 0.00 178.44 179.68 3fx4 h THR 38 N 1.29 1.26 -0.01 0.22 2.02 -0.54 -2.75 112.91 114.40 3fx4 h THR 38 Ca 0.34 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3fx4 h THR 38 Cb -0.09 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3fx4 h THR 38 CO -0.07 0.37 0.00 1.33 0.37 0.00 0.00 175.52 177.52 3fx4 n VAL 39 N -4.33 0.01 0.00 3.16 0.24 -0.32 -4.90 118.33 112.19 3fx4 n VAL 39 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3fx4 n VAL 39 Cb 0.30 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 3fx4 n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fx4 n GLY 40 N 1.04 1.05 3.76 7.63 0.00 -0.80 -4.69 105.19 113.17 3fx4 n GLY 40 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3fx4 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fx4 s TYR 41 N -1.96 2.82 -0.07 1.61 2.02 0.15 -1.55 117.35 120.37 3fx4 s TYR 41 Ca 0.00 1.01 0.21 0.00 -0.37 0.00 0.00 57.07 57.92 3fx4 s TYR 41 Cb 0.00 -3.95 0.43 0.00 -0.40 0.00 0.00 41.96 38.04 3fx4 s TYR 41 CO 0.00 -3.01 1.18 0.54 -1.57 0.00 0.00 175.55 172.70 3fx4 n ARG 42 N 1.69 0.56 -3.56 -0.62 5.12 -1.26 -4.29 116.66 114.29 3fx4 n ARG 42 Ca 0.05 -2.45 -0.09 0.00 -1.93 0.00 0.00 57.85 53.43 3fx4 n ARG 42 Cb 0.39 -0.54 -0.09 0.00 -1.16 0.00 0.00 32.46 31.05 3fx4 n ARG 42 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3fx4 s HIS 43 N -1.09 -0.78 -0.11 -1.55 2.46 -1.25 -0.70 115.29 112.27 3fx4 s HIS 43 Ca 0.35 1.28 0.03 0.00 0.47 0.00 0.00 55.06 57.19 3fx4 s HIS 43 Cb 0.38 0.20 -0.01 0.00 -0.13 0.00 0.00 32.58 33.02 3fx4 s HIS 43 CO -0.13 -0.55 -0.20 0.42 -2.47 0.00 0.00 174.74 171.81 3fx4 s ILE 44 N 2.58 2.47 -0.26 0.89 -1.09 0.15 -1.30 121.20 124.64 3fx4 s ILE 44 Ca 0.03 -0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 57.47 3fx4 s ILE 44 Cb -0.13 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 3fx4 s ILE 44 CO -0.13 0.55 0.16 -0.62 -1.23 0.00 0.00 174.94 173.67 3fx4 s ASP 45 N 0.28 5.92 0.37 3.58 2.15 -0.65 -1.35 116.67 126.96 3fx4 s ASP 45 Ca -0.14 -0.01 0.04 0.00 0.43 0.00 0.00 52.55 52.87 3fx4 s ASP 45 Cb -0.17 -2.09 -0.05 0.00 -0.30 0.00 0.00 42.92 40.31 3fx4 s ASP 45 CO 0.07 -0.02 0.07 0.00 -0.17 0.00 0.00 175.17 175.12 3fx4 s ALA 47 N -3.18 -1.84 0.40 0.00 0.00 -1.26 -3.69 121.76 112.18 3fx4 s ALA 47 Ca 0.31 1.85 0.18 0.00 0.00 0.00 0.00 51.96 54.30 3fx4 s ALA 47 Cb 0.07 -1.05 1.08 0.00 0.00 0.00 0.00 23.12 23.21 3fx4 s ALA 47 CO 0.14 -0.31 1.80 0.00 0.00 0.00 0.00 175.76 177.39 3fx4 h ALA 48 N 4.32 2.20 0.00 0.00 0.00 -1.97 -1.56 119.26 122.24 3fx4 h ALA 48 Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fx4 h ALA 48 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fx4 h ALA 48 CO 0.13 -0.56 0.00 0.97 0.00 0.00 0.00 179.25 179.79 3fx4 h ILE 49 N 0.42 0.00 0.00 0.00 6.09 -1.96 -3.02 117.51 119.04 3fx4 h ILE 49 Ca 0.55 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 3fx4 h ILE 49 Cb 1.36 1.59 0.00 0.00 0.47 0.00 0.00 36.82 40.24 3fx4 h ILE 49 CO -0.25 0.00 0.00 -1.22 -3.07 0.00 0.00 178.15 173.61 3fx4 n TYR 50 N -2.82 0.81 -1.64 2.19 4.01 -0.59 -4.91 117.16 114.21 3fx4 n TYR 50 Ca 0.03 0.28 -0.05 0.00 -0.16 0.00 0.00 57.90 57.99 3fx4 n TYR 50 Cb 0.39 -0.95 -0.01 0.00 -0.31 0.00 0.00 39.34 38.46 3fx4 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fx4 n GLY 51 N 0.59 0.46 0.00 2.72 0.00 -1.14 -4.71 105.19 103.11 3fx4 n GLY 51 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3fx4 n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fx4 n ASN 52 N 1.08 0.07 0.19 1.61 0.23 -1.26 -4.74 115.26 112.44 3fx4 n ASN 52 Ca -0.06 -1.03 0.05 0.00 -0.53 0.00 0.00 54.58 53.01 3fx4 n ASN 52 Cb 0.37 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.54 3fx4 n ASN 52 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fx4 h GLU 53 N 0.00 0.07 -0.58 -3.83 5.08 -1.89 -0.39 114.58 113.05 3fx4 h GLU 53 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3fx4 h GLU 53 Cb 0.82 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3fx4 h GLU 53 CO 0.00 0.23 0.28 1.25 -1.00 0.00 0.00 179.01 179.77 3fx4 h LEU 54 N 0.07 0.75 -0.04 1.33 5.85 -1.89 0.13 115.31 121.52 3fx4 h LEU 54 Ca 0.01 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.46 3fx4 h LEU 54 Cb 0.31 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3fx4 h LEU 54 CO 0.02 0.67 -0.55 -0.33 -0.34 0.00 0.00 178.44 177.91 3fx4 h GLU 55 N 0.78 0.44 -0.67 1.25 3.07 -1.75 -2.85 114.58 114.85 3fx4 h GLU 55 Ca 0.20 -0.42 0.12 0.00 -0.50 0.00 0.00 59.36 58.76 3fx4 h GLU 55 Cb 0.12 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.05 3fx4 h GLU 55 CO -0.03 1.07 0.22 0.82 -1.40 0.00 0.00 179.01 179.70 3fx4 h ILE 56 N -0.03 0.67 -0.97 3.13 2.04 -1.00 -1.92 117.51 119.43 3fx4 h ILE 56 Ca -0.06 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.82 3fx4 h ILE 56 Cb 1.24 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3fx4 h ILE 56 CO 0.11 0.07 0.61 1.23 0.00 0.00 0.00 178.15 180.17 3fx4 h GLY 57 N 0.36 1.51 0.93 5.37 0.00 -0.69 -1.68 103.07 108.87 3fx4 h GLY 57 Ca 0.36 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3fx4 h GLY 57 CO -0.39 0.09 0.05 0.83 0.00 0.00 0.00 176.54 177.13 3fx4 h GLU 58 N 0.84 0.65 -0.63 4.80 5.08 -1.11 -1.68 114.58 122.53 3fx4 h GLU 58 Ca 0.50 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 3fx4 h GLU 58 Cb 0.66 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3fx4 h GLU 58 CO -0.27 0.71 0.38 0.00 -1.00 0.00 0.00 179.01 178.83 3fx4 h ALA 59 N 0.91 0.82 -0.45 3.43 0.00 -1.20 -2.43 119.26 120.36 3fx4 h ALA 59 Ca 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3fx4 h ALA 59 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fx4 h ALA 59 CO 0.01 0.11 -0.13 -0.07 0.00 0.00 0.00 179.25 179.17 3fx4 h LEU 60 N 0.74 0.82 -1.10 0.00 3.38 -1.21 -2.03 115.31 115.90 3fx4 h LEU 60 Ca 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3fx4 h LEU 60 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3fx4 h LEU 60 CO -0.12 0.96 -0.01 -0.61 0.09 0.00 0.00 178.44 178.74 3fx4 h GLN 61 N 0.74 0.62 -0.26 1.13 -0.00 -1.11 0.33 115.11 116.55 3fx4 h GLN 61 Ca 0.12 -0.15 -0.18 0.00 -0.00 0.00 0.00 58.65 58.44 3fx4 h GLN 61 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 3fx4 h GLN 61 CO 0.04 0.65 -0.54 0.93 0.00 0.00 0.00 178.83 179.91 3fx4 h GLU 62 N 0.58 0.78 0.00 1.69 5.08 -1.21 -3.39 114.58 118.11 3fx4 h GLU 62 Ca 0.12 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 3fx4 h GLU 62 Cb 0.39 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3fx4 h GLU 62 CO 0.02 1.11 -1.76 2.41 -1.00 0.00 0.00 179.01 179.79 3fx4 n THR 63 N -3.99 0.39 -4.94 1.13 -1.04 -0.78 -4.63 114.28 100.42 3fx4 n THR 63 Ca -0.04 -0.43 -0.28 0.00 -2.04 0.00 0.00 64.05 61.26 3fx4 n THR 63 Cb 0.62 -0.18 -0.17 0.00 -1.82 0.00 0.00 70.33 68.78 3fx4 n THR 63 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3fx4 s VAL 64 N -2.70 1.64 -0.82 12.58 1.01 0.11 -0.54 120.40 131.68 3fx4 s VAL 64 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3fx4 s VAL 64 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3fx4 s VAL 64 CO 0.57 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.74 3fx4 n GLY 65 N 3.55 0.57 3.71 4.51 0.00 0.12 -4.57 105.19 113.08 3fx4 n GLY 65 Ca -0.20 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 3fx4 n GLY 65 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fx4 s PRO 66 N -0.60 4.16 0.00 1.61 0.02 -1.26 -1.19 135.00 137.74 3fx4 s PRO 66 Ca 0.00 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3fx4 s PRO 66 Cb 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3fx4 s PRO 66 CO 0.00 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3fx4 n GLY 67 N 3.96 0.55 3.91 0.52 0.00 -1.26 -5.02 105.19 107.85 3fx4 n GLY 67 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3fx4 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fx4 s LYS 68 N -0.27 2.26 0.40 1.61 -0.14 -0.34 -5.04 119.74 118.21 3fx4 s LYS 68 Ca 0.00 -2.00 0.21 0.00 -1.36 0.00 0.00 55.97 52.82 3fx4 s LYS 68 Cb 0.00 -2.12 0.73 0.00 -1.68 0.00 0.00 37.83 34.75 3fx4 s LYS 68 CO 0.00 -0.63 1.75 0.00 -0.76 0.00 0.00 175.35 175.71 3fx4 h ALA 69 N 0.73 0.97 -3.27 5.17 0.00 -1.71 -3.43 119.26 117.72 3fx4 h ALA 69 Ca -0.36 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 3fx4 h ALA 69 Cb 1.30 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.69 3fx4 h ALA 69 CO 0.56 0.38 -0.82 0.08 0.00 0.00 0.00 179.25 179.46 3fx4 s VAL 70 N -3.55 1.26 0.29 0.00 1.01 0.30 -5.02 120.40 114.68 3fx4 s VAL 70 Ca 0.01 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3fx4 s VAL 70 Cb 0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 3fx4 s VAL 70 CO 0.67 0.40 1.47 -2.84 0.00 0.00 0.00 175.10 174.79 3fx4 s PRO 71 N 1.18 4.22 0.29 2.72 0.02 -1.26 0.12 135.00 142.28 3fx4 s PRO 71 Ca -0.04 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.41 3fx4 s PRO 71 Cb -0.14 -3.06 0.63 0.00 0.02 0.00 0.00 34.50 31.95 3fx4 s PRO 71 CO -0.03 -0.46 1.81 -0.09 -0.33 0.00 0.00 177.00 177.89 3fx4 h ARG 72 N 4.55 0.85 0.00 5.54 9.65 -1.88 -2.01 114.38 131.08 3fx4 h ARG 72 Ca -0.47 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3fx4 h ARG 72 Cb 1.22 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.61 3fx4 h ARG 72 CO 0.75 0.56 -0.02 1.05 2.80 0.00 0.00 179.97 185.11 3fx4 h GLU 73 N 0.88 0.00 -0.00 0.20 4.11 -2.00 -1.30 114.58 116.46 3fx4 h GLU 73 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 3fx4 h GLU 73 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3fx4 h GLU 73 CO -0.32 0.02 -0.19 0.39 0.07 0.00 0.00 179.01 178.98 3fx4 n GLU 74 N -3.19 0.68 -4.16 1.06 -0.58 -0.76 -4.87 120.64 108.83 3fx4 n GLU 74 Ca -0.01 -0.32 -0.35 0.00 -0.42 0.00 0.00 57.16 56.06 3fx4 n GLU 74 Cb 0.20 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.49 3fx4 n GLU 74 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3fx4 s LEU 75 N -2.54 3.79 -0.29 -4.62 2.96 -0.49 -4.83 118.68 112.66 3fx4 s LEU 75 Ca 0.25 0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.26 3fx4 s LEU 75 Cb 0.19 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3fx4 s LEU 75 CO 0.51 0.30 0.09 0.12 -1.32 0.00 0.00 176.35 176.05 3fx4 s PHE 76 N -0.40 3.15 -0.16 5.38 5.36 0.13 -4.93 117.98 126.50 3fx4 s PHE 76 Ca 0.09 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 3fx4 s PHE 76 Cb -0.12 -2.26 -0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3fx4 s PHE 76 CO 0.02 -0.56 -0.15 0.08 -1.46 0.00 0.00 175.22 173.15 3fx4 s VAL 77 N 1.51 2.67 -0.14 3.12 1.01 -1.26 -0.67 120.40 126.64 3fx4 s VAL 77 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3fx4 s VAL 77 Cb -0.17 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3fx4 s VAL 77 CO 0.03 0.51 0.02 -0.89 0.00 0.00 0.00 175.10 174.77 3fx4 s THR 78 N 0.86 4.44 0.47 3.92 2.01 -0.46 -1.58 115.64 125.30 3fx4 s THR 78 Ca -0.04 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3fx4 s THR 78 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3fx4 s THR 78 CO -0.01 0.52 0.06 -0.24 -0.69 0.00 0.00 174.62 174.27 3fx4 n SER 79 N 3.00 2.47 -3.92 3.53 2.88 -0.56 -0.67 113.62 120.35 3fx4 n SER 79 Ca -0.18 -3.24 -0.14 0.00 -1.33 0.00 0.00 58.87 53.99 3fx4 n SER 79 Cb 0.53 0.66 -0.14 0.00 -0.75 0.00 0.00 64.21 64.51 3fx4 n SER 79 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3fx4 s LYS 80 N -3.74 0.21 -0.20 -1.46 1.02 -1.24 -1.25 119.74 113.08 3fx4 s LYS 80 Ca 0.09 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 3fx4 s LYS 80 Cb 0.00 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 3fx4 s LYS 80 CO 0.06 0.05 1.09 -1.17 -0.92 0.00 0.00 175.35 174.47 3fx4 s LEU 81 N -0.10 4.14 0.67 3.17 2.96 0.58 -3.85 118.68 126.25 3fx4 s LEU 81 Ca 0.01 1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 3fx4 s LEU 81 Cb -0.01 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 3fx4 s LEU 81 CO -0.00 -0.66 1.05 0.86 -1.32 0.00 0.00 176.35 176.28 3fx4 s TRP 82 N 3.11 3.32 0.46 5.38 -0.11 -1.26 -2.26 118.94 127.58 3fx4 s TRP 82 Ca 0.47 1.31 0.16 0.00 1.22 0.00 0.00 56.10 59.27 3fx4 s TRP 82 Cb -0.17 -2.85 1.13 0.00 -1.50 0.00 0.00 33.47 30.08 3fx4 s TRP 82 CO 0.09 -1.05 2.00 -0.91 -4.62 0.00 0.00 176.95 172.46 3fx4 h ASN 83 N -0.58 0.26 0.43 5.86 4.21 -1.91 -0.97 115.58 122.88 3fx4 h ASN 83 Ca -0.44 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3fx4 h ASN 83 Cb 1.21 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 3fx4 h ASN 83 CO 0.60 0.16 0.00 0.35 -1.29 0.00 0.00 177.43 177.24 3fx4 n THR 84 N -4.46 0.28 -1.53 2.81 -2.24 -1.26 -0.19 114.28 107.69 3fx4 n THR 84 Ca 0.09 0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.98 3fx4 n THR 84 Cb 0.40 -0.69 0.20 0.00 -2.10 0.00 0.00 70.33 68.14 3fx4 n THR 84 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fx4 n LYS 85 N -1.28 1.64 0.21 -0.78 4.76 -0.37 -4.19 118.16 118.15 3fx4 n LYS 85 Ca 0.11 -3.24 0.13 0.00 -2.87 0.00 0.00 58.31 52.44 3fx4 n LYS 85 Cb 0.18 -1.66 0.29 0.00 -1.84 0.00 0.00 35.03 32.00 3fx4 n LYS 85 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3fx4 h HIS 86 N 0.95 0.00 -2.82 2.13 3.86 -1.71 -3.34 115.15 114.23 3fx4 h HIS 86 Ca 0.05 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.73 3fx4 h HIS 86 Cb 1.15 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.66 3fx4 h HIS 86 CO 0.78 0.00 0.88 -1.58 0.86 0.00 0.00 177.93 178.87 3fx4 s HIS 87 N -3.26 2.98 0.39 2.45 5.04 -1.26 -4.35 115.29 117.28 3fx4 s HIS 87 Ca 0.07 0.61 0.24 0.00 -1.54 0.00 0.00 55.06 54.44 3fx4 s HIS 87 Cb 0.07 -3.91 1.35 0.00 0.04 0.00 0.00 32.58 30.13 3fx4 s HIS 87 CO 0.63 -3.38 1.60 -1.35 -2.34 0.00 0.00 174.74 169.90 3fx4 h PRO 88 N 7.05 0.07 0.00 2.88 0.11 -1.88 0.40 132.00 140.62 3fx4 h PRO 88 Ca -0.43 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3fx4 h PRO 88 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3fx4 h PRO 88 CO 0.91 0.04 -0.26 0.93 -0.21 0.00 0.00 178.00 179.42 3fx4 h GLU 89 N 0.07 0.00 0.00 1.05 5.08 -1.95 -3.26 114.58 115.57 3fx4 h GLU 89 Ca 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.19 3fx4 h GLU 89 Cb 2.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.58 3fx4 h GLU 89 CO -0.62 0.26 -0.88 -0.25 -1.00 0.00 0.00 179.01 176.52 3fx4 n ASP 90 N -3.62 0.72 0.26 1.42 8.00 0.14 -4.52 116.55 118.94 3fx4 n ASP 90 Ca -0.01 -0.54 -0.16 0.00 0.71 0.00 0.00 54.79 54.79 3fx4 n ASP 90 Cb 0.39 0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 42.15 3fx4 n ASP 90 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fx4 h VAL 91 N 0.00 0.54 0.02 2.53 2.07 -1.53 -1.53 116.25 118.35 3fx4 h VAL 91 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3fx4 h VAL 91 Cb 0.57 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3fx4 h VAL 91 CO 0.00 0.03 -0.01 -0.08 0.02 0.00 0.00 177.57 177.53 3fx4 h GLU 92 N -0.71 -0.03 -1.00 1.57 4.81 -1.79 -1.90 114.58 115.52 3fx4 h GLU 92 Ca -0.06 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3fx4 h GLU 92 Cb 0.52 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3fx4 h GLU 92 CO 0.10 -0.02 0.64 -1.00 -0.73 0.00 0.00 179.01 178.01 3fx4 h PRO 93 N -0.03 1.07 -0.31 0.92 0.13 -1.79 -0.14 132.00 131.84 3fx4 h PRO 93 Ca -0.00 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3fx4 h PRO 93 Cb 0.02 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 30.89 3fx4 h PRO 93 CO 0.01 0.71 0.17 0.00 -0.23 0.00 0.00 178.00 178.65 3fx4 h ALA 94 N 1.49 0.38 -0.35 -0.56 0.00 -1.02 -1.31 119.26 117.90 3fx4 h ALA 94 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 3fx4 h ALA 94 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fx4 h ALA 94 CO -0.21 -0.20 0.11 1.25 0.00 0.00 0.00 179.25 180.20 3fx4 h LEU 95 N 0.35 0.51 -1.37 0.00 7.12 -1.00 -2.40 115.31 118.52 3fx4 h LEU 95 Ca 0.12 -0.20 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 3fx4 h LEU 95 Cb 0.02 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.00 3fx4 h LEU 95 CO -0.07 0.57 0.06 0.03 -0.13 0.00 0.00 178.44 178.91 3fx4 h ARG 96 N 0.41 0.48 -0.39 1.25 3.08 -0.92 0.14 114.38 118.42 3fx4 h ARG 96 Ca 0.11 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3fx4 h ARG 96 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3fx4 h ARG 96 CO -0.00 0.46 0.13 -0.22 -1.07 0.00 0.00 179.97 179.26 3fx4 h LYS 97 N 0.47 0.61 -0.32 0.04 1.63 -1.12 -0.81 116.57 117.07 3fx4 h LYS 97 Ca 0.11 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3fx4 h LYS 97 Cb 0.21 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3fx4 h LYS 97 CO -0.00 0.61 0.20 1.15 -3.45 0.00 0.00 179.45 177.96 3fx4 h THR 98 N 0.49 1.10 -0.64 1.00 2.02 -0.83 -0.35 112.91 115.69 3fx4 h THR 98 Ca 0.13 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.13 3fx4 h THR 98 Cb 0.25 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 3fx4 h THR 98 CO -0.00 0.10 0.38 -0.07 0.37 0.00 0.00 175.52 176.29 3fx4 h LEU 99 N 0.43 0.59 0.31 2.58 3.38 -0.95 -0.38 115.31 121.27 3fx4 h LEU 99 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3fx4 h LEU 99 Cb -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fx4 h LEU 99 CO -0.02 0.40 -0.17 0.00 0.09 0.00 0.00 178.44 178.74 3fx4 h ALA 100 N 1.30 -0.44 -0.66 1.53 0.00 -0.89 0.14 119.26 120.24 3fx4 h ALA 100 Ca 0.27 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3fx4 h ALA 100 Cb 0.09 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3fx4 h ALA 100 CO -0.14 -0.75 0.37 -0.44 0.00 0.00 0.00 179.25 178.29 3fx4 h ASP 101 N -0.45 0.56 0.89 0.00 3.32 -0.95 -2.04 116.42 117.74 3fx4 h ASP 101 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fx4 h ASP 101 Cb 0.36 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3fx4 h ASP 101 CO 0.05 0.36 0.00 0.18 -1.72 0.00 0.00 179.24 178.11 3fx4 n LEU 102 N -4.78 0.00 -3.84 1.55 4.77 -0.16 -3.71 117.00 110.83 3fx4 n LEU 102 Ca 0.08 0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 56.29 3fx4 n LEU 102 Cb 0.16 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3fx4 n LEU 102 CO 0.29 -0.05 0.03 0.00 -1.33 0.00 0.00 177.39 176.33 3fx4 n GLN 103 N -1.50 -5.20 -4.36 3.23 6.02 0.33 -4.30 117.38 111.60 3fx4 n GLN 103 Ca 0.06 0.60 -0.24 0.00 -0.01 0.00 0.00 57.00 57.41 3fx4 n GLN 103 Cb 0.30 -5.33 -0.08 0.00 1.02 0.00 0.00 30.24 26.15 3fx4 n GLN 103 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fx4 s LEU 104 N -7.05 2.95 0.04 1.08 1.43 -0.26 -4.86 118.68 112.02 3fx4 s LEU 104 Ca 0.39 -0.83 0.22 0.00 -1.03 0.00 0.00 54.13 52.88 3fx4 s LEU 104 Cb -0.19 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 3fx4 s LEU 104 CO 0.83 -0.02 0.89 -0.62 0.23 0.00 0.00 176.35 177.66 3fx4 n GLU 105 N -0.80 0.37 -3.50 1.70 -0.58 -1.26 -4.57 120.64 112.00 3fx4 n GLU 105 Ca -0.06 -0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 3fx4 n GLU 105 Cb 0.60 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.84 3fx4 n GLU 105 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3fx4 s TYR 106 N -3.26 -0.50 0.10 -0.32 -0.85 -1.26 -4.73 117.35 106.53 3fx4 s TYR 106 Ca 0.01 0.60 0.02 0.00 -0.52 0.00 0.00 57.07 57.18 3fx4 s TYR 106 Cb 0.14 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 3fx4 s TYR 106 CO 0.83 -0.60 0.22 -0.51 -1.52 0.00 0.00 175.55 173.96 3fx4 s LEU 107 N -1.89 4.25 0.27 -3.49 1.43 -0.41 -4.97 118.68 113.88 3fx4 s LEU 107 Ca -0.02 0.18 0.15 0.00 -1.03 0.00 0.00 54.13 53.40 3fx4 s LEU 107 Cb -0.01 -2.85 0.09 0.00 0.03 0.00 0.00 46.19 43.46 3fx4 s LEU 107 CO -0.02 0.12 1.45 0.44 0.23 0.00 0.00 176.35 178.58 3fx4 h ASP 108 N 2.74 0.00 -3.32 2.29 5.19 -1.63 -0.74 116.42 120.94 3fx4 h ASP 108 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 3fx4 h ASP 108 Cb 1.17 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.44 3fx4 h ASP 108 CO 0.71 0.54 -0.16 -0.22 -3.12 0.00 0.00 179.24 176.99 3fx4 s LEU 109 N -6.54 -0.32 -0.11 1.55 2.96 -1.00 -2.03 118.68 113.20 3fx4 s LEU 109 Ca 0.03 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3fx4 s LEU 109 Cb 0.08 1.75 0.02 0.00 0.50 0.00 0.00 46.19 48.54 3fx4 s LEU 109 CO 0.75 -0.20 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.99 3fx4 s TYR 110 N 1.21 1.73 0.03 5.38 6.04 -0.48 -1.50 117.35 129.76 3fx4 s TYR 110 Ca -0.07 -0.85 0.04 0.00 0.04 0.00 0.00 57.07 56.22 3fx4 s TYR 110 Cb -0.06 -1.33 -0.04 0.00 -1.04 0.00 0.00 41.96 39.50 3fx4 s TYR 110 CO -0.12 -0.50 -0.06 -0.51 -1.54 0.00 0.00 175.55 172.83 3fx4 s LEU 111 N 1.32 3.23 -0.46 6.97 1.43 -0.38 -2.17 118.68 128.63 3fx4 s LEU 111 Ca -0.01 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 3fx4 s LEU 111 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3fx4 s LEU 111 CO -0.05 0.25 1.26 -0.32 0.23 0.00 0.00 176.35 177.72 3fx4 s MET 112 N -1.66 3.64 0.19 1.70 -2.45 -0.92 -0.31 119.30 119.51 3fx4 s MET 112 Ca 0.19 0.71 -0.11 0.00 -1.25 0.00 0.00 55.69 55.23 3fx4 s MET 112 Cb -0.11 -3.97 0.22 0.00 1.25 0.00 0.00 34.83 32.22 3fx4 s MET 112 CO 0.10 -1.48 1.74 1.25 1.05 0.00 0.00 175.02 177.68 3fx4 h HIS 113 N 9.91 0.33 -3.85 4.11 2.76 -1.71 -1.44 115.15 125.26 3fx4 h HIS 113 Ca -0.25 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.65 3fx4 h HIS 113 Cb 1.08 -0.06 -0.19 0.00 1.55 0.00 0.00 27.41 29.79 3fx4 h HIS 113 CO 0.98 0.09 -0.73 -1.58 -1.30 0.00 0.00 177.93 175.38 3fx4 s TRP 114 N -6.12 0.91 0.25 5.26 0.52 -1.25 -4.16 118.94 114.35 3fx4 s TRP 114 Ca -0.13 -0.63 0.21 0.00 0.02 0.00 0.00 56.10 55.58 3fx4 s TRP 114 Cb 0.16 -0.52 0.93 0.00 -1.15 0.00 0.00 33.47 32.89 3fx4 s TRP 114 CO 0.74 -0.05 1.85 -1.00 0.02 0.00 0.00 176.95 178.51 3fx4 h PRO 115 N 3.86 0.00 -6.27 4.98 0.13 -1.76 -3.46 132.00 129.48 3fx4 h PRO 115 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 3fx4 h PRO 115 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3fx4 h PRO 115 CO 0.49 0.28 -0.31 1.52 -0.23 0.00 0.00 178.00 179.76 3fx4 s TYR 116 N -3.85 3.48 0.09 1.56 -0.85 -1.26 -4.27 117.35 112.26 3fx4 s TYR 116 Ca -0.01 0.36 0.04 0.00 -0.52 0.00 0.00 57.07 56.94 3fx4 s TYR 116 Cb 0.12 -1.87 -0.04 0.00 0.38 0.00 0.00 41.96 40.55 3fx4 s TYR 116 CO 0.66 0.34 0.04 0.00 -1.52 0.00 0.00 175.55 175.07 3fx4 s ALA 117 N -1.93 3.42 0.22 9.51 0.00 -1.25 -4.80 121.76 126.92 3fx4 s ALA 117 Ca 0.39 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3fx4 s ALA 117 Cb -0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3fx4 s ALA 117 CO 0.30 0.70 0.23 -0.06 0.00 0.00 0.00 175.76 176.93 3fx4 s PHE 118 N -1.38 3.25 0.12 0.00 0.08 0.73 -2.02 117.98 118.74 3fx4 s PHE 118 Ca 0.28 -0.04 -0.35 0.00 0.12 0.00 0.00 56.93 56.94 3fx4 s PHE 118 Cb -0.12 -1.50 -0.17 0.00 -0.57 0.00 0.00 43.02 40.66 3fx4 s PHE 118 CO 0.20 0.50 1.08 -1.91 -0.10 0.00 0.00 175.22 175.00 3fx4 n GLU 119 N -0.96 0.72 -1.72 0.44 2.13 -0.50 -4.22 120.64 116.52 3fx4 n GLU 119 Ca -0.08 0.26 -0.38 0.00 0.66 0.00 0.00 57.16 57.62 3fx4 n GLU 119 Cb 0.56 -1.71 0.05 0.00 0.27 0.00 0.00 31.44 30.62 3fx4 n GLU 119 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3fx4 n ARG 120 N 1.71 1.36 0.00 5.31 1.74 -1.26 -4.68 116.66 120.83 3fx4 n ARG 120 Ca 0.17 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3fx4 n ARG 120 Cb 0.20 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 3fx4 n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fx4 n GLY 121 N 0.90 0.93 0.87 -0.13 0.00 -1.26 -4.92 105.19 101.57 3fx4 n GLY 121 Ca 0.13 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.29 3fx4 n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fx4 n ASP 122 N 0.65 3.55 -4.46 1.61 8.00 -1.26 -4.82 116.55 119.83 3fx4 n ASP 122 Ca 0.00 -2.45 -0.42 0.00 0.71 0.00 0.00 54.79 52.64 3fx4 n ASP 122 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 3fx4 n ASP 122 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fx4 s ASN 123 N -1.34 5.97 0.58 -2.24 3.84 -1.26 -4.97 114.94 115.52 3fx4 s ASN 123 Ca 0.34 -0.78 0.38 0.00 0.21 0.00 0.00 52.86 53.00 3fx4 s ASN 123 Cb 0.23 -2.11 1.79 0.00 -0.55 0.00 0.00 41.25 40.61 3fx4 s ASN 123 CO 0.14 -0.37 2.13 1.55 -2.79 0.00 0.00 177.10 177.76 3fx4 h PRO 124 N 8.53 0.00 -2.32 0.43 0.13 -1.95 -3.24 132.00 133.58 3fx4 h PRO 124 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 3fx4 h PRO 124 Cb 1.13 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.85 3fx4 h PRO 124 CO 0.69 0.00 -0.80 1.19 -0.23 0.00 0.00 178.00 178.84 3fx4 n PHE 125 N -3.02 1.68 -2.42 1.56 3.72 -1.26 -4.75 117.46 112.97 3fx4 n PHE 125 Ca -0.01 -3.88 -0.41 0.00 -0.05 0.00 0.00 57.45 53.11 3fx4 n PHE 125 Cb 0.20 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.31 3fx4 n PHE 125 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3fx4 s PRO 126 N -1.52 4.57 0.04 -1.08 0.04 -1.23 -4.96 135.00 130.86 3fx4 s PRO 126 Ca 0.35 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.29 3fx4 s PRO 126 Cb 0.10 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 3fx4 s PRO 126 CO -0.10 0.07 -0.14 0.15 0.04 0.00 0.00 177.00 177.03 3fx4 s LYS 127 N -1.00 0.90 1.16 4.56 1.02 -1.26 -0.63 119.74 124.49 3fx4 s LYS 127 Ca 0.48 -0.76 -0.20 0.00 0.02 0.00 0.00 55.97 55.51 3fx4 s LYS 127 Cb -0.33 -0.89 0.28 0.00 -0.52 0.00 0.00 37.83 36.37 3fx4 s LYS 127 CO 0.40 0.22 1.20 0.09 -0.92 0.00 0.00 175.35 176.34 3fx4 n ASN 128 N 1.86 -1.35 0.03 2.83 3.02 0.14 -4.78 115.26 117.02 3fx4 n ASN 128 Ca -0.18 -1.29 -0.13 0.00 -0.03 0.00 0.00 54.58 52.95 3fx4 n ASN 128 Cb 0.55 -1.03 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 3fx4 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fx4 h ALA 129 N -2.42 -0.65 0.00 5.41 0.00 -2.00 -2.37 119.26 117.22 3fx4 h ALA 129 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3fx4 h ALA 129 Cb 1.25 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3fx4 h ALA 129 CO 0.29 -0.95 0.00 -0.40 0.00 0.00 0.00 179.25 178.18 3fx4 n ASP 130 N -5.44 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 110.70 3fx4 n ASP 130 Ca -0.05 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 3fx4 n ASP 130 Cb 0.37 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3fx4 n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fx4 n GLY 131 N -1.09 0.92 3.83 6.12 0.00 -0.89 -4.69 105.19 109.40 3fx4 n GLY 131 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3fx4 n GLY 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fx4 s THR 132 N -3.00 2.25 0.29 2.61 -4.23 -1.26 -4.72 115.64 107.59 3fx4 s THR 132 Ca 0.00 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 3fx4 s THR 132 Cb 0.00 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 3fx4 s THR 132 CO 0.00 -0.11 1.19 -0.63 -0.54 0.00 0.00 174.62 174.53 3fx4 s ILE 133 N -3.36 3.18 -0.38 2.99 -1.09 -1.26 -0.68 121.20 120.58 3fx4 s ILE 133 Ca 0.62 1.18 -0.18 0.00 -2.23 0.00 0.00 60.65 60.04 3fx4 s ILE 133 Cb -0.13 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3fx4 s ILE 133 CO 0.52 0.28 0.51 -0.60 -1.23 0.00 0.00 174.94 174.41 3fx4 s ARG 134 N -1.51 3.42 0.45 2.79 3.52 0.20 -4.65 118.95 123.17 3fx4 s ARG 134 Ca 0.47 -0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3fx4 s ARG 134 Cb -0.35 -3.88 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 3fx4 s ARG 134 CO 0.45 -0.76 0.73 0.71 -0.81 0.00 0.00 175.30 175.63 3fx4 s TYR 135 N 2.38 3.53 0.05 5.12 2.02 -1.26 -1.41 117.35 127.78 3fx4 s TYR 135 Ca 0.17 0.68 0.09 0.00 -0.37 0.00 0.00 57.07 57.64 3fx4 s TYR 135 Cb -0.16 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 3fx4 s TYR 135 CO 0.14 -0.21 -0.25 0.34 -1.57 0.00 0.00 175.55 174.01 3fx4 s ASP 136 N -4.10 3.00 -0.09 2.29 2.15 -0.86 -4.27 116.67 114.79 3fx4 s ASP 136 Ca 0.46 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 53.02 3fx4 s ASP 136 Cb -0.10 -0.26 0.66 0.00 -0.30 0.00 0.00 42.92 42.91 3fx4 s ASP 136 CO 0.43 0.23 1.55 0.00 -0.17 0.00 0.00 175.17 177.20 3fx4 n ALA 137 N 1.72 2.97 -1.66 3.66 0.00 -1.26 -3.94 120.51 122.00 3fx4 n ALA 137 Ca -0.17 -1.41 -0.49 0.00 0.00 0.00 0.00 53.44 51.38 3fx4 n ALA 137 Cb 0.52 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 3fx4 n ALA 137 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fx4 n THR 138 N 1.08 0.14 -2.58 0.00 -1.04 -1.26 -4.92 114.28 105.70 3fx4 n THR 138 Ca 0.24 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.86 3fx4 n THR 138 Cb 0.80 -1.43 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 3fx4 n THR 138 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3fx4 s HIS 139 N 1.64 3.32 0.47 -1.42 2.46 -1.26 -4.56 115.29 115.94 3fx4 s HIS 139 Ca 0.84 1.66 0.25 0.00 0.47 0.00 0.00 55.06 58.28 3fx4 s HIS 139 Cb -0.77 -3.10 1.44 0.00 -0.13 0.00 0.00 32.58 30.03 3fx4 s HIS 139 CO 0.44 -0.51 2.10 0.10 -2.47 0.00 0.00 174.74 174.41 3fx4 h TYR 140 N 2.57 0.00 -0.62 3.88 -0.00 -1.92 -1.57 116.97 119.31 3fx4 h TYR 140 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.21 3fx4 h TYR 140 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.91 3fx4 h TYR 140 CO 0.58 0.10 0.22 0.87 -0.00 0.00 0.00 178.16 179.94 3fx4 h LYS 141 N 0.00 0.93 -0.28 0.10 1.57 -1.93 -0.58 116.57 116.37 3fx4 h LYS 141 Ca -0.00 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3fx4 h LYS 141 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3fx4 h LYS 141 CO 0.01 0.78 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.83 3fx4 h ASP 142 N 0.90 0.71 -0.75 0.86 3.32 -1.68 -2.85 116.42 116.93 3fx4 h ASP 142 Ca 0.21 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3fx4 h ASP 142 Cb 0.22 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3fx4 h ASP 142 CO -0.01 1.02 0.33 0.74 -1.72 0.00 0.00 179.24 179.60 3fx4 h THR 143 N 0.54 1.25 -0.73 0.35 2.02 -1.25 -2.99 112.91 112.11 3fx4 h THR 143 Ca 0.05 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.51 3fx4 h THR 143 Cb 0.93 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3fx4 h THR 143 CO 0.08 0.30 0.47 -0.25 0.37 0.00 0.00 175.52 176.50 3fx4 h TRP 144 N 1.06 0.89 -0.49 3.16 2.91 -0.98 -0.84 115.95 121.66 3fx4 h TRP 144 Ca 0.25 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.21 3fx4 h TRP 144 Cb 0.16 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 3fx4 h TRP 144 CO 0.01 0.53 -0.04 0.87 -1.03 0.00 0.00 178.44 178.79 3fx4 h LYS 145 N 0.94 0.84 -0.18 2.65 1.79 -1.39 -1.69 116.57 119.53 3fx4 h LYS 145 Ca 0.28 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 3fx4 h LYS 145 Cb -0.05 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3fx4 h LYS 145 CO -0.08 0.86 -0.44 0.00 -1.08 0.00 0.00 179.45 178.70 3fx4 h ALA 146 N 1.19 0.90 -0.14 3.86 0.00 -1.31 -2.76 119.26 120.99 3fx4 h ALA 146 Ca 0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3fx4 h ALA 146 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fx4 h ALA 146 CO 0.03 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3fx4 h LEU 147 N 0.36 0.19 -0.82 0.00 3.38 -0.59 -2.93 115.31 114.90 3fx4 h LEU 147 Ca 0.03 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3fx4 h LEU 147 Cb 0.92 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3fx4 h LEU 147 CO 0.08 0.29 0.11 -0.33 0.09 0.00 0.00 178.44 178.68 3fx4 h GLU 148 N 0.20 1.00 -0.26 1.13 5.08 -1.03 -2.46 114.58 118.24 3fx4 h GLU 148 Ca 0.05 -0.24 0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3fx4 h GLU 148 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3fx4 h GLU 148 CO 0.01 0.91 0.20 0.00 -1.00 0.00 0.00 179.01 179.13 3fx4 h ALA 149 N 1.17 2.18 -0.13 3.43 0.00 -1.48 -2.29 119.26 122.15 3fx4 h ALA 149 Ca 0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3fx4 h ALA 149 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fx4 h ALA 149 CO 0.01 -0.33 -0.46 -0.07 0.00 0.00 0.00 179.25 178.39 3fx4 h LEU 150 N 0.00 0.35 -0.58 0.00 3.38 -1.53 -1.90 115.31 115.03 3fx4 h LEU 150 Ca 0.12 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3fx4 h LEU 150 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fx4 h LEU 150 CO -0.00 0.76 -0.03 0.58 0.09 0.00 0.00 178.44 179.85 3fx4 h VAL 151 N 0.26 1.27 0.00 1.22 2.07 -1.47 -1.39 116.25 118.21 3fx4 h VAL 151 Ca 0.02 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3fx4 h VAL 151 Cb 0.92 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3fx4 h VAL 151 CO 0.08 0.42 -0.18 0.00 0.02 0.00 0.00 177.57 177.91 3fx4 h ALA 152 N 0.97 1.20 -0.21 1.67 0.00 -1.26 -2.55 119.26 119.08 3fx4 h ALA 152 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fx4 h ALA 152 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fx4 h ALA 152 CO 0.03 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3fx4 n LYS 153 N -3.60 1.78 -1.12 0.00 5.02 -0.75 -4.92 118.16 114.58 3fx4 n LYS 153 Ca -0.01 -1.19 -0.04 0.00 -2.02 0.00 0.00 58.31 55.05 3fx4 n LYS 153 Cb 0.32 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3fx4 n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fx4 n GLY 154 N 1.14 0.69 0.09 0.72 0.00 -0.96 -4.91 105.19 101.96 3fx4 n GLY 154 Ca 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.74 3fx4 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fx4 n LEU 155 N -0.48 0.74 -3.75 0.99 4.77 -0.55 -4.73 117.00 114.00 3fx4 n LEU 155 Ca -0.04 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 3fx4 n LEU 155 Cb 0.20 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 3fx4 n LEU 155 CO 0.06 0.09 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.37 3fx4 s VAL 156 N -3.03 -0.04 -0.04 4.08 1.01 -1.20 -1.28 120.40 119.90 3fx4 s VAL 156 Ca -0.03 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3fx4 s VAL 156 Cb 0.09 -0.33 -0.26 0.00 0.00 0.00 0.00 36.38 35.88 3fx4 s VAL 156 CO 0.82 0.05 0.99 0.03 0.00 0.00 0.00 175.10 176.99 3fx4 h ARG 157 N 6.98 0.27 -4.58 2.72 3.08 -1.28 -3.36 114.38 118.21 3fx4 h ARG 157 Ca -0.39 -0.34 -0.27 0.00 0.07 0.00 0.00 59.98 59.05 3fx4 h ARG 157 Cb 1.16 0.11 -0.21 0.00 0.08 0.00 0.00 29.97 31.11 3fx4 h ARG 157 CO 0.39 1.07 -0.73 0.00 -1.07 0.00 0.00 179.97 179.63 3fx4 s ALA 158 N -2.89 0.61 0.20 0.04 0.00 -0.86 -5.01 121.76 113.85 3fx4 s ALA 158 Ca -0.15 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3fx4 s ALA 158 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3fx4 s ALA 158 CO 0.79 -0.03 -0.13 -0.51 0.00 0.00 0.00 175.76 175.88 3fx4 s LEU 159 N -1.66 2.82 0.00 0.00 1.43 -1.26 -1.38 118.68 118.63 3fx4 s LEU 159 Ca -0.09 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3fx4 s LEU 159 Cb -0.09 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3fx4 s LEU 159 CO 0.00 0.10 0.07 0.61 0.23 0.00 0.00 176.35 177.36 3fx4 n GLY 160 N -0.02 1.90 3.19 -3.19 0.00 -0.92 -0.46 105.19 105.69 3fx4 n GLY 160 Ca -0.10 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 3fx4 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fx4 s LEU 161 N 0.00 2.05 -0.07 0.99 1.43 -0.26 -2.17 118.68 120.66 3fx4 s LEU 161 Ca 0.02 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3fx4 s LEU 161 Cb -0.00 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 3fx4 s LEU 161 CO 0.01 0.22 -0.24 -0.55 0.23 0.00 0.00 176.35 176.02 3fx4 s SER 162 N -0.51 3.17 -1.43 2.29 0.15 -0.54 -0.68 113.70 116.14 3fx4 s SER 162 Ca 0.07 -0.49 -0.11 0.00 0.70 0.00 0.00 55.95 56.12 3fx4 s SER 162 Cb -0.07 -0.97 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 3fx4 s SER 162 CO -0.00 0.23 1.09 0.59 1.20 0.00 0.00 173.24 176.35 3fx4 n ASN 163 N 3.04 -5.54 -4.85 5.45 3.02 -0.72 -3.95 115.26 111.71 3fx4 n ASN 163 Ca -0.18 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.39 3fx4 n ASN 163 Cb 0.52 -4.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.12 3fx4 n ASN 163 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3fx4 s PHE 164 N -3.32 3.43 0.67 3.10 2.99 -1.26 -4.36 117.98 119.24 3fx4 s PHE 164 Ca 0.60 0.30 -0.04 0.00 0.00 0.00 0.00 56.93 57.79 3fx4 s PHE 164 Cb -0.28 -1.79 0.06 0.00 0.00 0.00 0.00 43.02 41.01 3fx4 s PHE 164 CO 0.78 0.61 0.96 -1.54 -0.00 0.00 0.00 175.22 176.02 3fx4 s SER 165 N -1.79 4.85 0.25 1.36 1.04 -1.26 -4.88 113.70 113.27 3fx4 s SER 165 Ca 0.25 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.89 3fx4 s SER 165 Cb -0.12 -0.95 0.30 0.00 0.10 0.00 0.00 66.02 65.35 3fx4 s SER 165 CO 0.16 -1.53 1.90 0.77 0.98 0.00 0.00 173.24 175.51 3fx4 h SER 166 N -0.45 1.04 -0.41 7.02 4.64 -1.92 -0.19 113.55 123.29 3fx4 h SER 166 Ca -0.43 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.77 3fx4 h SER 166 Cb 1.31 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3fx4 h SER 166 CO 0.56 0.72 -0.14 0.03 -0.87 0.00 0.00 176.83 177.12 3fx4 h ARG 167 N 1.21 0.88 -0.29 4.77 3.08 -1.95 -1.71 114.38 120.37 3fx4 h ARG 167 Ca 0.38 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 3fx4 h ARG 167 Cb -0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3fx4 h ARG 167 CO -0.12 0.96 -0.51 1.96 -1.07 0.00 0.00 179.97 181.20 3fx4 h GLN 168 N 0.78 0.83 -0.03 0.04 4.20 -1.85 0.19 115.11 119.27 3fx4 h GLN 168 Ca 0.12 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.35 3fx4 h GLN 168 Cb 0.67 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3fx4 h GLN 168 CO 0.05 1.13 -0.11 0.82 -0.67 0.00 0.00 178.83 180.05 3fx4 h ILE 169 N 0.64 0.72 -0.76 2.54 2.04 -0.99 -0.56 117.51 121.13 3fx4 h ILE 169 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3fx4 h ILE 169 Cb 1.10 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3fx4 h ILE 169 CO 0.11 0.00 0.37 0.44 0.00 0.00 0.00 178.15 179.07 3fx4 h ASP 170 N -0.17 0.98 -0.37 1.72 5.19 -1.20 -0.43 116.42 122.14 3fx4 h ASP 170 Ca 0.05 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3fx4 h ASP 170 Cb 0.24 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 3fx4 h ASP 170 CO -0.13 0.83 0.24 -0.78 -3.12 0.00 0.00 179.24 176.28 3fx4 h ASP 171 N 1.08 0.42 -0.71 6.45 3.58 -0.77 -1.86 116.42 124.61 3fx4 h ASP 171 Ca 0.26 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3fx4 h ASP 171 Cb 0.10 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3fx4 h ASP 171 CO -0.03 0.31 0.46 0.58 -2.88 0.00 0.00 179.24 177.67 3fx4 h VAL 172 N 0.50 1.19 -0.06 2.25 2.07 -0.50 -2.77 116.25 118.93 3fx4 h VAL 172 Ca 0.13 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3fx4 h VAL 172 Cb -0.06 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3fx4 h VAL 172 CO -0.03 0.18 -0.12 -0.07 0.02 0.00 0.00 177.57 177.56 3fx4 h LEU 173 N 0.96 0.08 -1.91 2.57 3.38 -0.73 -1.51 115.31 118.15 3fx4 h LEU 173 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3fx4 h LEU 173 Cb -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fx4 h LEU 173 CO -0.05 0.21 0.00 0.77 0.09 0.00 0.00 178.44 179.46 3fx4 h SER 174 N 0.08 0.00 0.00 -0.43 4.64 -1.04 -3.03 113.55 113.77 3fx4 h SER 174 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3fx4 h SER 174 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3fx4 h SER 174 CO 0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 3fx4 n VAL 175 N -2.76 0.17 -2.53 0.95 0.24 -0.84 -5.06 118.33 108.51 3fx4 n VAL 175 Ca -0.01 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 3fx4 n VAL 175 Cb 0.14 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 3fx4 n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fx4 s ALA 176 N -0.17 3.64 -0.01 2.33 0.00 -0.63 -4.88 121.76 122.04 3fx4 s ALA 176 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3fx4 s ALA 176 Cb 0.00 -3.61 -0.30 0.00 0.00 0.00 0.00 23.12 19.21 3fx4 s ALA 176 CO 0.00 -1.20 0.83 0.77 0.00 0.00 0.00 175.76 176.17 3fx4 h SER 177 N 8.00 0.54 -3.66 0.00 0.02 -1.91 -3.43 113.55 113.11 3fx4 h SER 177 Ca -0.23 -0.72 -0.66 0.00 -0.84 0.00 0.00 61.79 59.34 3fx4 h SER 177 Cb 1.08 -0.18 -0.23 0.00 0.14 0.00 0.00 62.40 63.22 3fx4 h SER 177 CO 0.98 1.59 -0.59 -0.69 -1.14 0.00 0.00 176.83 176.99 3fx4 s VAL 178 N -2.60 4.45 0.19 2.27 1.01 -1.26 -5.10 120.40 119.35 3fx4 s VAL 178 Ca -0.11 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3fx4 s VAL 178 Cb 0.06 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 3fx4 s VAL 178 CO 0.87 0.19 1.13 -0.13 0.00 0.00 0.00 175.10 177.17 3fx4 s ARG 179 N 1.61 4.56 0.39 2.72 0.52 -1.26 -4.99 118.95 122.49 3fx4 s ARG 179 Ca 0.05 1.78 -0.27 0.00 -0.52 0.00 0.00 55.73 56.77 3fx4 s ARG 179 Cb -0.16 -3.26 -0.11 0.00 0.52 0.00 0.00 34.95 31.94 3fx4 s ARG 179 CO 0.05 0.03 1.36 -0.35 0.02 0.00 0.00 175.30 176.41 3fx4 n PRO 180 N 2.35 2.26 -0.07 3.54 -0.04 -1.26 -4.70 135.00 137.08 3fx4 n PRO 180 Ca 0.03 0.80 -0.04 0.00 -0.04 0.00 0.00 63.50 64.24 3fx4 n PRO 180 Cb 0.46 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.29 3fx4 n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fx4 n ALA 181 N 0.14 1.82 -2.86 0.55 0.00 0.39 -4.59 120.51 115.98 3fx4 n ALA 181 Ca 0.04 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 3fx4 n ALA 181 Cb 0.39 -0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 3fx4 n ALA 181 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fx4 s VAL 182 N -2.60 0.12 -0.17 0.00 1.01 -1.26 -1.15 120.40 116.35 3fx4 s VAL 182 Ca -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3fx4 s VAL 182 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 3fx4 s VAL 182 CO 0.71 -0.04 -0.03 -0.22 0.00 0.00 0.00 175.10 175.52 3fx4 s LEU 183 N -0.23 3.24 -0.28 3.92 2.96 -0.13 -1.10 118.68 127.06 3fx4 s LEU 183 Ca -0.02 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3fx4 s LEU 183 Cb -0.02 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3fx4 s LEU 183 CO -0.00 0.13 0.08 -1.58 -1.32 0.00 0.00 176.35 173.66 3fx4 s GLN 184 N 0.58 3.31 0.11 1.98 0.74 0.14 -0.20 119.66 126.32 3fx4 s GLN 184 Ca -0.02 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.67 3fx4 s GLN 184 Cb -0.14 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 3fx4 s GLN 184 CO 0.02 -0.35 0.03 0.14 -0.55 0.00 0.00 175.29 174.58 3fx4 s VAL 185 N 1.55 0.17 0.21 1.34 -7.23 -0.61 -1.75 120.40 114.08 3fx4 s VAL 185 Ca 0.04 -1.89 -0.32 0.00 -1.81 0.00 0.00 61.98 58.01 3fx4 s VAL 185 Cb -0.16 -1.91 -0.11 0.00 0.56 0.00 0.00 36.38 34.75 3fx4 s VAL 185 CO 0.03 -0.61 1.66 -0.70 -0.31 0.00 0.00 175.10 175.17 3fx4 s GLU 186 N -4.00 4.15 -0.28 4.82 2.12 -1.26 -0.68 118.70 123.57 3fx4 s GLU 186 Ca 0.20 2.53 -0.20 0.00 0.36 0.00 0.00 54.97 57.86 3fx4 s GLU 186 Cb 0.07 -3.09 0.08 0.00 0.26 0.00 0.00 34.13 31.46 3fx4 s GLU 186 CO -0.01 -0.69 0.73 0.00 -0.54 0.00 0.00 175.26 174.75 3fx4 s HIS 188 N 1.08 -0.02 0.63 0.00 -3.43 -1.06 -4.13 115.29 108.36 3fx4 s HIS 188 Ca -0.06 -0.12 0.32 0.00 -0.80 0.00 0.00 55.06 54.40 3fx4 s HIS 188 Cb -0.05 0.56 1.75 0.00 -1.43 0.00 0.00 32.58 33.42 3fx4 s HIS 188 CO -0.11 -0.34 2.06 -1.35 -2.00 0.00 0.00 174.74 173.00 3fx4 h PRO 189 N 2.00 0.00 0.00 -0.38 0.11 -1.88 -0.87 132.00 130.97 3fx4 h PRO 189 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3fx4 h PRO 189 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3fx4 h PRO 189 CO 0.30 0.00 -0.34 1.88 -0.21 0.00 0.00 178.00 179.63 3fx4 h TYR 190 N 0.00 0.00 -2.46 0.65 0.05 -1.90 -2.14 116.97 111.17 3fx4 h TYR 190 Ca 0.06 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.25 3fx4 h TYR 190 Cb 0.56 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.91 3fx4 h TYR 190 CO 0.00 0.34 -0.91 -0.11 -1.05 0.00 0.00 178.16 176.42 3fx4 n LEU 191 N -3.21 0.14 0.25 3.88 7.94 -0.36 -0.95 117.00 124.70 3fx4 n LEU 191 Ca 0.02 -4.53 0.17 0.00 -1.11 0.00 0.00 56.01 50.56 3fx4 n LEU 191 Cb 0.65 0.33 0.69 0.00 0.53 0.00 0.00 43.42 45.62 3fx4 n LEU 191 CO 0.38 1.85 0.98 0.00 -1.11 0.00 0.00 177.39 179.49 3fx4 h ALA 192 N 5.52 1.00 -5.57 1.96 0.00 -1.70 -2.81 119.26 117.66 3fx4 h ALA 192 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.73 3fx4 h ALA 192 Cb 0.88 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3fx4 h ALA 192 CO 0.43 0.00 -0.64 1.04 0.00 0.00 0.00 179.25 180.08 3fx4 n GLN 193 N -2.90 -4.45 -0.28 0.00 1.13 -1.26 -4.81 117.38 104.82 3fx4 n GLN 193 Ca 0.01 0.60 -0.06 0.00 -1.94 0.00 0.00 57.00 55.61 3fx4 n GLN 193 Cb 0.26 -5.41 0.08 0.00 0.11 0.00 0.00 30.24 25.28 3fx4 n GLN 193 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3fx4 h ASN 194 N -1.46 1.08 -0.08 1.08 2.35 -1.99 0.31 115.58 116.88 3fx4 h ASN 194 Ca -0.50 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 54.93 3fx4 h ASN 194 Cb 1.34 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 39.43 3fx4 h ASN 194 CO 0.59 0.97 -0.49 -0.33 -1.65 0.00 0.00 177.43 176.52 3fx4 h GLU 195 N 1.13 0.47 -0.58 0.81 3.07 -1.99 -1.52 114.58 115.97 3fx4 h GLU 195 Ca 0.26 -0.41 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 3fx4 h GLU 195 Cb 0.24 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3fx4 h GLU 195 CO -0.02 1.04 -0.02 1.25 -1.40 0.00 0.00 179.01 179.86 3fx4 h LEU 196 N 0.04 1.01 0.04 1.33 5.85 -1.91 -0.62 115.31 121.06 3fx4 h LEU 196 Ca -0.04 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 3fx4 h LEU 196 Cb 1.15 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3fx4 h LEU 196 CO 0.10 1.08 -0.02 0.40 -0.34 0.00 0.00 178.44 179.66 3fx4 h ILE 197 N 0.94 0.97 -0.83 4.05 2.04 -0.35 -1.02 117.51 123.31 3fx4 h ILE 197 Ca 0.16 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.10 3fx4 h ILE 197 Cb 0.57 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3fx4 h ILE 197 CO 0.03 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.68 3fx4 h ALA 198 N 0.90 1.18 -0.45 1.87 0.00 -1.17 -0.38 119.26 121.21 3fx4 h ALA 198 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3fx4 h ALA 198 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3fx4 h ALA 198 CO 0.01 0.15 0.26 1.25 0.00 0.00 0.00 179.25 180.92 3fx4 h HIS 199 N 0.85 0.48 -0.46 0.00 -0.00 -0.84 -2.28 115.15 112.90 3fx4 h HIS 199 Ca 0.39 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.73 3fx4 h HIS 199 Cb 0.30 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 3fx4 h HIS 199 CO -0.05 0.27 0.11 0.00 -0.00 0.00 0.00 177.93 178.26 3fx4 h GLN 201 N 0.62 0.33 -0.29 0.00 4.20 -0.92 -0.37 115.11 118.68 3fx4 h GLN 201 Ca 0.15 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.90 3fx4 h GLN 201 Cb 0.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3fx4 h GLN 201 CO 0.00 0.22 0.20 0.00 -0.67 0.00 0.00 178.83 178.58 3fx4 h ALA 202 N 1.34 2.12 -0.23 3.87 0.00 -1.29 -3.02 119.26 122.04 3fx4 h ALA 202 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fx4 h ALA 202 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fx4 h ALA 202 CO -0.25 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.35 3fx4 n ARG 203 N -4.48 2.07 -0.62 0.00 1.74 -0.58 -4.98 116.66 109.82 3fx4 n ARG 203 Ca 0.03 -1.94 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 3fx4 n ARG 203 Cb 0.28 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3fx4 n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fx4 n GLY 204 N 1.16 0.68 3.73 -0.13 0.00 -0.28 -5.04 105.19 105.31 3fx4 n GLY 204 Ca 0.14 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3fx4 n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fx4 s LEU 205 N 0.00 4.26 0.49 0.99 1.02 -0.42 -4.58 118.68 120.44 3fx4 s LEU 205 Ca 0.00 0.68 -0.15 0.00 0.02 0.00 0.00 54.13 54.68 3fx4 s LEU 205 Cb 0.00 -2.55 -0.08 0.00 0.02 0.00 0.00 46.19 43.58 3fx4 s LEU 205 CO 0.00 0.05 0.94 -1.61 0.02 0.00 0.00 176.35 175.75 3fx4 s GLU 206 N 0.53 3.92 -0.14 1.70 0.41 -0.30 -3.93 118.70 120.89 3fx4 s GLU 206 Ca 0.22 0.86 -0.02 0.00 -0.41 0.00 0.00 54.97 55.62 3fx4 s GLU 206 Cb -0.14 -2.19 -0.02 0.00 -1.78 0.00 0.00 34.13 30.00 3fx4 s GLU 206 CO 0.07 -0.22 -0.07 0.08 -0.49 0.00 0.00 175.26 174.63 3fx4 s VAL 207 N -2.57 3.56 -0.20 2.63 1.01 -1.26 -0.96 120.40 122.62 3fx4 s VAL 207 Ca 0.57 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3fx4 s VAL 207 Cb -0.10 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3fx4 s VAL 207 CO 0.31 0.52 0.04 -0.89 0.00 0.00 0.00 175.10 175.08 3fx4 s THR 208 N 0.23 4.37 -0.43 3.92 2.01 0.72 -1.73 115.64 124.73 3fx4 s THR 208 Ca -0.05 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.52 3fx4 s THR 208 Cb -0.14 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3fx4 s THR 208 CO 0.04 0.42 0.93 0.00 -0.69 0.00 0.00 174.62 175.32 3fx4 s ALA 209 N 0.86 3.28 0.43 7.40 0.00 0.38 -1.57 121.76 132.54 3fx4 s ALA 209 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3fx4 s ALA 209 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3fx4 s ALA 209 CO 0.02 -1.93 0.68 1.52 0.00 0.00 0.00 175.76 176.05 3fx4 s TYR 210 N 3.70 3.45 -1.53 0.00 -0.85 0.14 -2.86 117.35 119.40 3fx4 s TYR 210 Ca 0.38 0.51 -0.08 0.00 -0.52 0.00 0.00 57.07 57.35 3fx4 s TYR 210 Cb -0.10 -2.18 0.07 0.00 0.38 0.00 0.00 41.96 40.12 3fx4 s TYR 210 CO 0.24 -0.18 0.60 0.43 -1.52 0.00 0.00 175.55 175.12 3fx4 n SER 211 N -2.07 -1.81 0.22 -0.18 7.64 -1.26 -2.33 113.62 113.84 3fx4 n SER 211 Ca -0.01 -0.99 0.16 0.00 1.01 0.00 0.00 58.87 59.04 3fx4 n SER 211 Cb 0.56 -3.02 0.69 0.00 -1.01 0.00 0.00 64.21 61.44 3fx4 n SER 211 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3fx4 h PRO 212 N -1.74 0.00 -0.63 1.43 0.13 -1.73 -1.25 132.00 128.22 3fx4 h PRO 212 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3fx4 h PRO 212 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3fx4 h PRO 212 CO 0.69 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 3fx4 n LEU 213 N -2.70 3.84 -0.02 1.56 4.77 -1.26 -4.76 117.00 118.43 3fx4 n LEU 213 Ca 0.00 -2.08 -0.00 0.00 -0.03 0.00 0.00 56.01 53.90 3fx4 n LEU 213 Cb 0.21 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3fx4 n LEU 213 CO 0.21 0.90 -0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3fx4 n GLY 214 N 1.28 0.45 4.27 -0.72 0.00 -0.47 -4.33 105.19 105.68 3fx4 n GLY 214 Ca 0.22 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3fx4 n GLY 214 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fx4 n SER 215 N 1.12 0.31 0.18 1.61 2.88 -1.26 -4.77 113.62 113.69 3fx4 n SER 215 Ca -0.00 -1.22 0.12 0.00 -1.33 0.00 0.00 58.87 56.44 3fx4 n SER 215 Cb 0.01 -1.89 0.64 0.00 -0.75 0.00 0.00 64.21 62.22 3fx4 n SER 215 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3fx4 h SER 216 N -1.70 0.00 -0.36 -3.46 4.64 -1.97 -0.44 113.55 110.26 3fx4 h SER 216 Ca -0.65 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.52 3fx4 h SER 216 Cb 1.39 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.39 3fx4 h SER 216 CO 0.72 0.00 -0.02 -0.67 -0.87 0.00 0.00 176.83 175.99 3fx4 n ASP 217 N -2.34 2.89 -4.77 4.97 2.03 -1.26 -5.03 116.55 113.05 3fx4 n ASP 217 Ca -0.01 -3.57 -0.36 0.00 0.52 0.00 0.00 54.79 51.37 3fx4 n ASP 217 Cb 0.06 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 39.85 3fx4 n ASP 217 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fx4 s ARG 218 N -3.14 3.21 0.47 -0.67 1.70 -0.18 -5.00 118.95 115.33 3fx4 s ARG 218 Ca 0.45 1.71 -0.22 0.00 -0.47 0.00 0.00 55.73 57.20 3fx4 s ARG 218 Cb 0.39 -1.99 -0.07 0.00 -0.57 0.00 0.00 34.95 32.71 3fx4 s ARG 218 CO 0.03 -0.99 1.15 0.00 -1.08 0.00 0.00 175.30 174.40 3fx4 s ALA 219 N -1.68 2.94 -1.17 7.88 0.00 -1.26 -4.15 121.76 124.32 3fx4 s ALA 219 Ca 0.74 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.51 3fx4 s ALA 219 Cb -0.27 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3fx4 s ALA 219 CO 0.30 -0.62 0.83 0.91 0.00 0.00 0.00 175.76 177.17 3fx4 n TRP 220 N -0.59 -2.12 -2.74 0.00 7.02 -1.26 -4.97 117.44 112.78 3fx4 n TRP 220 Ca 0.08 0.74 -0.36 0.00 -1.02 0.00 0.00 57.50 56.95 3fx4 n TRP 220 Cb 0.49 -4.10 -0.06 0.00 -2.42 0.00 0.00 31.31 25.21 3fx4 n TRP 220 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fx4 s ARG 221 N -5.40 4.38 -0.31 -0.99 0.52 -1.26 -5.02 118.95 110.87 3fx4 s ARG 221 Ca 0.28 1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 56.50 3fx4 s ARG 221 Cb -0.07 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3fx4 s ARG 221 CO 0.79 0.09 1.26 0.34 0.02 0.00 0.00 175.30 177.80 3fx4 s ASP 222 N -1.79 6.71 0.62 0.23 -1.08 -1.26 -4.91 116.67 115.19 3fx4 s ASP 222 Ca 0.56 1.16 0.35 0.00 -0.52 0.00 0.00 52.55 54.09 3fx4 s ASP 222 Cb -0.16 -2.54 2.01 0.00 -1.46 0.00 0.00 42.92 40.77 3fx4 s ASP 222 CO 0.21 -1.05 2.27 1.55 0.52 0.00 0.00 175.17 178.67 3fx4 h PRO 223 N 9.10 0.00 0.00 4.34 0.13 -2.01 -1.89 132.00 141.67 3fx4 h PRO 223 Ca -0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 3fx4 h PRO 223 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3fx4 h PRO 223 CO 1.04 0.00 -0.64 -0.91 -0.23 0.00 0.00 178.00 177.25 3fx4 h ASN 224 N 0.00 0.00 -3.87 1.44 2.35 -2.05 -3.46 115.58 109.99 3fx4 h ASN 224 Ca 0.01 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.25 3fx4 h ASN 224 Cb 0.08 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.50 3fx4 h ASN 224 CO -0.00 0.52 0.56 -1.61 -1.65 0.00 0.00 177.43 175.25 3fx4 s GLU 225 N -2.95 4.37 0.71 0.81 2.02 -0.71 -5.01 118.70 117.94 3fx4 s GLU 225 Ca 0.03 2.01 -0.14 0.00 0.02 0.00 0.00 54.97 56.88 3fx4 s GLU 225 Cb 0.08 -3.02 0.03 0.00 0.10 0.00 0.00 34.13 31.32 3fx4 s GLU 225 CO 0.76 -0.10 1.14 -1.25 0.02 0.00 0.00 175.26 175.83 3fx4 s PRO 226 N -1.80 2.40 -0.36 0.39 0.04 -1.26 -4.95 135.00 129.46 3fx4 s PRO 226 Ca 0.49 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 3fx4 s PRO 226 Cb -0.35 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3fx4 s PRO 226 CO 0.46 -1.58 0.27 0.08 0.04 0.00 0.00 177.00 176.27 3fx4 s VAL 227 N -2.29 5.26 0.34 -0.36 1.01 -1.26 -4.99 120.40 118.11 3fx4 s VAL 227 Ca 0.69 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.45 3fx4 s VAL 227 Cb -0.23 -3.79 0.32 0.00 0.00 0.00 0.00 36.38 32.69 3fx4 s VAL 227 CO 0.45 -0.10 1.83 0.25 0.00 0.00 0.00 175.10 177.53 3fx4 h LEU 228 N 8.56 0.68 -1.74 3.92 5.85 -1.90 -0.61 115.31 130.07 3fx4 h LEU 228 Ca -0.30 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3fx4 h LEU 228 Cb 1.15 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3fx4 h LEU 228 CO 0.67 0.29 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.96 3fx4 h LEU 229 N 0.69 0.00 -1.74 2.25 3.38 -1.95 -2.47 115.31 115.48 3fx4 h LEU 229 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3fx4 h LEU 229 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3fx4 h LEU 229 CO -0.27 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.67 3fx4 n GLU 230 N -3.16 2.14 -1.75 1.13 1.02 -0.25 -4.76 120.64 115.01 3fx4 n GLU 230 Ca -0.00 -1.71 -0.42 0.00 -0.02 0.00 0.00 57.16 55.00 3fx4 n GLU 230 Cb 0.27 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 3fx4 n GLU 230 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3fx4 s GLU 231 N -1.63 4.15 0.26 3.49 2.56 -0.93 -4.86 118.70 121.73 3fx4 s GLU 231 Ca 0.35 2.54 -0.02 0.00 0.00 0.00 0.00 54.97 57.84 3fx4 s GLU 231 Cb 0.20 -3.82 0.52 0.00 2.00 0.00 0.00 34.13 33.02 3fx4 s GLU 231 CO 0.29 -0.87 1.72 -1.35 -0.56 0.00 0.00 175.26 174.49 3fx4 h PRO 232 N 9.33 0.41 -0.59 4.30 0.11 -1.93 0.15 132.00 143.78 3fx4 h PRO 232 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3fx4 h PRO 232 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3fx4 h PRO 232 CO 0.94 0.27 0.34 0.28 -0.21 0.00 0.00 178.00 179.62 3fx4 h VAL 233 N 0.42 1.19 0.02 3.15 2.07 -1.98 0.16 116.25 121.28 3fx4 h VAL 233 Ca 0.45 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fx4 h VAL 233 Cb 0.72 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3fx4 h VAL 233 CO -0.44 0.20 -0.01 0.58 0.02 0.00 0.00 177.57 177.92 3fx4 h VAL 234 N 0.80 1.07 -0.72 2.57 2.07 -1.63 -0.88 116.25 119.53 3fx4 h VAL 234 Ca 0.21 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3fx4 h VAL 234 Cb 0.02 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3fx4 h VAL 234 CO -0.04 0.07 0.48 1.56 0.02 0.00 0.00 177.57 179.66 3fx4 h GLN 235 N -0.15 0.96 -0.11 1.57 4.20 -0.73 0.78 115.11 121.63 3fx4 h GLN 235 Ca -0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3fx4 h GLN 235 Cb 0.14 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3fx4 h GLN 235 CO 0.00 0.64 0.03 0.00 -0.67 0.00 0.00 178.83 178.83 3fx4 h ALA 236 N 1.54 0.14 -0.56 3.87 0.00 -0.53 -2.29 119.26 121.43 3fx4 h ALA 236 Ca 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3fx4 h ALA 236 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fx4 h ALA 236 CO -0.06 -0.25 0.10 -0.07 0.00 0.00 0.00 179.25 178.97 3fx4 h LEU 237 N -0.02 0.85 -0.90 0.00 3.38 -0.73 -2.03 115.31 115.87 3fx4 h LEU 237 Ca 0.03 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fx4 h LEU 237 Cb 0.22 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3fx4 h LEU 237 CO -0.00 0.85 0.58 0.00 0.09 0.00 0.00 178.44 179.96 3fx4 h ALA 238 N 1.25 1.20 0.48 1.53 0.00 -0.78 -0.56 119.26 122.38 3fx4 h ALA 238 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3fx4 h ALA 238 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fx4 h ALA 238 CO 0.01 0.40 -0.23 0.93 0.00 0.00 0.00 179.25 180.36 3fx4 h GLU 239 N 1.10 -0.61 -0.88 0.00 4.39 -1.21 -0.60 114.58 116.76 3fx4 h GLU 239 Ca 0.37 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.21 3fx4 h GLU 239 Cb 0.06 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 3fx4 h GLU 239 CO -0.14 -0.33 0.52 -0.22 -1.16 0.00 0.00 179.01 177.68 3fx4 h LYS 240 N -0.82 0.83 -0.01 2.33 3.64 -1.01 -2.17 116.57 119.35 3fx4 h LYS 240 Ca -0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3fx4 h LYS 240 Cb 0.57 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3fx4 h LYS 240 CO 0.11 0.55 -0.14 0.66 -2.27 0.00 0.00 179.45 178.35 3fx4 n TYR 241 N -4.71 0.00 -3.67 1.91 4.02 -0.25 -4.96 117.16 109.50 3fx4 n TYR 241 Ca 0.15 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.81 3fx4 n TYR 241 Cb 0.30 -0.05 0.05 0.00 -0.02 0.00 0.00 39.34 39.62 3fx4 n TYR 241 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3fx4 n ASN 242 N -0.13 -3.26 -4.33 7.72 3.02 -0.49 -5.01 115.26 112.77 3fx4 n ASN 242 Ca 0.15 -0.71 -0.18 0.00 -0.03 0.00 0.00 54.58 53.81 3fx4 n ASN 242 Cb 0.38 -4.46 -0.10 0.00 -0.61 0.00 0.00 39.78 34.99 3fx4 n ASN 242 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fx4 s ARG 243 N -6.06 1.52 0.48 3.52 1.81 -0.35 -5.04 118.95 114.82 3fx4 s ARG 243 Ca 0.28 -1.83 -0.18 0.00 -1.72 0.00 0.00 55.73 52.27 3fx4 s ARG 243 Cb -0.13 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.83 3fx4 s ARG 243 CO 0.78 -0.28 0.97 -1.54 -0.68 0.00 0.00 175.30 174.55 3fx4 s SER 244 N -3.38 6.73 0.35 0.23 1.04 -1.26 -4.44 113.70 112.97 3fx4 s SER 244 Ca 0.37 1.60 0.16 0.00 0.48 0.00 0.00 55.95 58.55 3fx4 s SER 244 Cb 0.08 -2.51 1.09 0.00 0.10 0.00 0.00 66.02 64.77 3fx4 s SER 244 CO 0.14 -0.50 1.68 -0.65 0.98 0.00 0.00 173.24 174.89 3fx4 h PRO 245 N 1.27 0.34 -0.55 4.02 0.11 -1.89 -2.02 132.00 133.27 3fx4 h PRO 245 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3fx4 h PRO 245 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3fx4 h PRO 245 CO 0.61 0.22 0.11 0.00 -0.21 0.00 0.00 178.00 178.74 3fx4 h ALA 246 N 1.79 0.73 -0.29 -0.75 0.00 -1.93 -2.45 119.26 116.36 3fx4 h ALA 246 Ca 0.72 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3fx4 h ALA 246 Cb 1.67 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3fx4 h ALA 246 CO -0.55 0.45 0.05 1.96 0.00 0.00 0.00 179.25 181.16 3fx4 h GLN 247 N 0.79 0.42 -0.24 0.00 4.20 -1.71 -1.70 115.11 116.88 3fx4 h GLN 247 Ca 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fx4 h GLN 247 Cb 0.38 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3fx4 h GLN 247 CO 0.01 0.42 0.05 0.82 -0.67 0.00 0.00 178.83 179.45 3fx4 h ILE 248 N 0.42 1.22 -0.44 2.54 1.08 -1.14 0.11 117.51 121.30 3fx4 h ILE 248 Ca 0.10 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3fx4 h ILE 248 Cb 0.21 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 3fx4 h ILE 248 CO 0.00 0.23 0.28 -0.07 -0.69 0.00 0.00 178.15 177.90 3fx4 h LEU 249 N 0.21 0.47 -0.42 1.44 3.38 -1.19 -1.60 115.31 117.59 3fx4 h LEU 249 Ca 0.07 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3fx4 h LEU 249 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3fx4 h LEU 249 CO 0.00 0.34 -0.43 -0.07 0.09 0.00 0.00 178.44 178.37 3fx4 h LEU 250 N 0.57 0.91 -0.24 1.67 3.38 -1.30 -3.16 115.31 117.14 3fx4 h LEU 250 Ca 0.17 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3fx4 h LEU 250 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3fx4 h LEU 250 CO -0.06 1.21 0.14 -0.09 0.09 0.00 0.00 178.44 179.74 3fx4 h ARG 251 N 0.68 0.33 -0.72 1.13 9.65 -0.77 -1.11 114.38 123.57 3fx4 h ARG 251 Ca 0.05 -0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.05 3fx4 h ARG 251 Cb 1.01 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.40 3fx4 h ARG 251 CO 0.10 0.28 0.02 2.35 2.80 0.00 0.00 179.97 185.52 3fx4 h TRP 252 N 0.30 -0.02 0.03 2.20 7.01 -1.33 0.19 115.95 124.33 3fx4 h TRP 252 Ca 0.09 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3fx4 h TRP 252 Cb 0.04 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 3fx4 h TRP 252 CO -0.04 -0.21 -0.02 1.96 -2.79 0.00 0.00 178.44 177.34 3fx4 h GLN 253 N 0.12 -0.04 0.00 2.65 1.08 -1.45 -2.73 115.11 114.73 3fx4 h GLN 253 Ca 0.39 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.56 3fx4 h GLN 253 Cb 0.68 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3fx4 h GLN 253 CO -0.62 0.42 -0.19 -0.39 -0.95 0.00 0.00 178.83 177.09 3fx4 h VAL 254 N -0.52 0.59 -0.39 -0.54 -1.51 -0.86 0.36 116.25 113.38 3fx4 h VAL 254 Ca -0.00 -0.88 -0.09 0.00 -1.23 0.00 0.00 66.70 64.50 3fx4 h VAL 254 Cb 0.48 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 3fx4 h VAL 254 CO 0.01 0.19 -0.11 -0.61 -1.23 0.00 0.00 177.57 175.81 3fx4 h GLN 255 N 0.00 0.68 0.00 5.19 4.15 -0.64 -1.81 115.11 122.69 3fx4 h GLN 255 Ca -0.00 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3fx4 h GLN 255 Cb 0.57 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3fx4 h GLN 255 CO 0.02 0.78 0.00 0.54 -1.93 0.00 0.00 178.83 178.24 3fx4 n ARG 256 N -4.17 0.63 -2.84 1.69 1.74 -0.38 -4.90 116.66 108.43 3fx4 n ARG 256 Ca 0.01 0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 3fx4 n ARG 256 Cb 0.35 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3fx4 n ARG 256 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fx4 n LYS 257 N -1.11 -3.79 -3.78 5.56 4.76 -0.68 -5.02 118.16 114.10 3fx4 n LYS 257 Ca 0.16 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 55.96 3fx4 n LYS 257 Cb 0.13 -5.16 -0.10 0.00 -1.84 0.00 0.00 35.03 28.06 3fx4 n LYS 257 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fx4 s VAL 258 N -3.03 5.01 0.26 -0.18 1.01 -0.02 -4.78 120.40 118.65 3fx4 s VAL 258 Ca 0.23 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3fx4 s VAL 258 Cb -0.10 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 3fx4 s VAL 258 CO 0.29 0.37 1.31 -0.63 0.00 0.00 0.00 175.10 176.44 3fx4 s ILE 259 N 0.98 2.98 -0.02 2.22 1.01 -0.71 -3.54 121.20 124.11 3fx4 s ILE 259 Ca 0.06 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.64 3fx4 s ILE 259 Cb -0.14 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3fx4 s ILE 259 CO 0.03 0.16 -0.18 0.00 0.00 0.00 0.00 174.94 174.96 3fx4 n ILE 261 N 2.76 2.26 -2.06 0.00 -5.35 -1.13 -1.34 119.36 114.49 3fx4 n ILE 261 Ca -0.16 -5.24 -0.41 0.00 -0.27 0.00 0.00 62.75 56.67 3fx4 n ILE 261 Cb 0.54 -1.64 -0.02 0.00 -1.74 0.00 0.00 39.64 36.78 3fx4 n ILE 261 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3fx4 s PRO 262 N -2.82 4.31 -0.08 6.28 0.04 -1.18 -3.24 135.00 138.32 3fx4 s PRO 262 Ca 0.44 2.27 -0.14 0.00 0.04 0.00 0.00 61.00 63.60 3fx4 s PRO 262 Cb 0.22 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 3fx4 s PRO 262 CO -0.08 -0.30 0.37 0.21 0.04 0.00 0.00 177.00 177.24 3fx4 s LYS 263 N -1.29 4.04 0.02 4.56 2.36 -1.26 -1.91 119.74 126.26 3fx4 s LYS 263 Ca 0.53 0.28 -0.21 0.00 -2.55 0.00 0.00 55.97 54.02 3fx4 s LYS 263 Cb -0.41 -3.31 0.05 0.00 -1.05 0.00 0.00 37.83 33.11 3fx4 s LYS 263 CO 0.50 0.48 0.48 0.45 1.55 0.00 0.00 175.35 178.82 3fx4 s SER 264 N -0.35 -0.39 -0.00 1.43 0.15 -1.26 -4.94 113.70 108.33 3fx4 s SER 264 Ca 0.21 0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.13 3fx4 s SER 264 Cb -0.15 0.45 -0.09 0.00 -1.71 0.00 0.00 66.02 64.52 3fx4 s SER 264 CO 0.09 -0.65 0.22 1.33 1.20 0.00 0.00 173.24 175.44 3fx4 n VAL 265 N 0.64 0.00 -2.43 4.45 0.24 -1.26 -4.90 118.33 115.07 3fx4 n VAL 265 Ca -0.19 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3fx4 n VAL 265 Cb 0.59 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 3fx4 n VAL 265 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3fx4 s THR 266 N -2.03 4.06 0.30 3.34 2.01 -1.26 -4.80 115.64 117.26 3fx4 s THR 266 Ca 0.00 1.14 0.06 0.00 0.31 0.00 0.00 61.69 63.20 3fx4 s THR 266 Cb 0.05 -4.26 0.30 0.00 0.01 0.00 0.00 72.50 68.60 3fx4 s THR 266 CO 0.28 -0.68 1.72 -0.65 -0.69 0.00 0.00 174.62 174.60 3fx4 h PRO 267 N 9.84 0.49 -0.68 4.92 0.11 -1.99 -0.67 132.00 144.03 3fx4 h PRO 267 Ca -0.26 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 3fx4 h PRO 267 Cb 1.09 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3fx4 h PRO 267 CO 1.07 0.33 0.14 0.66 -0.21 0.00 0.00 178.00 179.98 3fx4 h SER 268 N 0.51 1.06 -0.17 -2.05 4.64 -1.99 -1.49 113.55 114.05 3fx4 h SER 268 Ca 0.59 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3fx4 h SER 268 Cb 1.11 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3fx4 h SER 268 CO -0.49 1.03 -0.33 0.03 -0.87 0.00 0.00 176.83 176.20 3fx4 h ARG 269 N 1.04 0.52 -0.43 4.77 3.08 -1.78 -1.37 114.38 120.21 3fx4 h ARG 269 Ca 0.21 -0.34 0.09 0.00 0.07 0.00 0.00 59.98 60.01 3fx4 h ARG 269 Cb 0.41 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 3fx4 h ARG 269 CO 0.01 0.94 -0.29 0.82 -1.07 0.00 0.00 179.97 180.38 3fx4 h ILE 270 N 0.17 0.27 0.14 2.04 2.04 -1.04 0.13 117.51 121.26 3fx4 h ILE 270 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3fx4 h ILE 270 Cb 0.92 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3fx4 h ILE 270 CO 0.07 0.00 -0.12 0.25 0.00 0.00 0.00 178.15 178.35 3fx4 h LEU 271 N -0.21 -0.32 -1.40 1.44 5.85 -1.25 -2.98 115.31 116.44 3fx4 h LEU 271 Ca 0.19 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3fx4 h LEU 271 Cb 0.52 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3fx4 h LEU 271 CO -0.55 -0.19 -0.09 0.06 -0.34 0.00 0.00 178.44 177.33 3fx4 h GLN 272 N -0.28 0.29 0.00 1.25 3.07 -0.83 -2.87 115.11 115.74 3fx4 h GLN 272 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 3fx4 h GLN 272 Cb 0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.78 3fx4 h GLN 272 CO -0.03 0.39 -0.11 -0.91 0.09 0.00 0.00 178.83 178.27 3fx4 h ASN 273 N 0.27 0.00 0.41 0.06 -0.26 -0.58 -2.12 115.58 113.36 3fx4 h ASN 273 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3fx4 h ASN 273 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3fx4 h ASN 273 CO 0.02 0.11 -0.75 0.00 -1.06 0.00 0.00 177.43 175.74 3fx4 n ILE 274 N -3.85 0.07 -2.65 2.81 3.06 -1.09 -4.60 119.36 113.11 3fx4 n ILE 274 Ca -0.02 -0.09 -0.43 0.00 -2.50 0.00 0.00 62.75 59.71 3fx4 n ILE 274 Cb 0.21 0.36 0.00 0.00 0.54 0.00 0.00 39.64 40.75 3fx4 n ILE 274 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fx4 n GLN 275 N -1.67 3.74 -0.22 9.51 6.02 -0.80 -4.46 117.38 129.50 3fx4 n GLN 275 Ca 0.04 -3.85 0.01 0.00 -0.01 0.00 0.00 57.00 53.19 3fx4 n GLN 275 Cb 0.37 -2.84 0.01 0.00 1.02 0.00 0.00 30.24 28.80 3fx4 n GLN 275 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3fx4 n VAL 276 N 3.15 0.22 -0.83 5.09 0.24 -1.26 -4.80 118.33 120.13 3fx4 n VAL 276 Ca 0.36 -0.25 0.08 0.00 -2.04 0.00 0.00 64.34 62.49 3fx4 n VAL 276 Cb 0.37 0.66 0.15 0.00 -1.47 0.00 0.00 33.84 33.55 3fx4 n VAL 276 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3fx4 n PHE 277 N -0.15 0.29 -0.08 6.34 3.01 -1.26 -4.59 117.46 121.01 3fx4 n PHE 277 Ca 0.01 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.61 3fx4 n PHE 277 Cb 0.58 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 3fx4 n PHE 277 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3fx4 n ASP 278 N -0.92 1.50 -4.03 4.37 5.75 -1.26 -5.02 116.55 116.94 3fx4 n ASP 278 Ca 0.15 -1.58 -0.08 0.00 -0.01 0.00 0.00 54.79 53.27 3fx4 n ASP 278 Cb 0.64 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.64 3fx4 n ASP 278 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3fx4 s PHE 279 N -0.58 0.47 -0.02 2.11 -0.71 -1.26 -5.17 117.98 112.81 3fx4 s PHE 279 Ca 0.00 -0.96 0.01 0.00 -1.04 0.00 0.00 56.93 54.95 3fx4 s PHE 279 Cb 0.00 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 3fx4 s PHE 279 CO 0.00 -0.45 -0.05 0.99 -1.34 0.00 0.00 175.22 174.37 3fx4 s THR 280 N -3.92 0.45 0.29 -4.49 2.01 -1.26 -5.06 115.64 103.65 3fx4 s THR 280 Ca 0.09 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.67 3fx4 s THR 280 Cb 0.07 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 3fx4 s THR 280 CO -0.08 0.16 0.88 -0.36 -0.69 0.00 0.00 174.62 174.52 3fx4 s PHE 281 N 0.28 3.70 0.94 4.92 2.99 -1.26 -5.07 117.98 124.48 3fx4 s PHE 281 Ca -0.03 1.67 -0.11 0.00 0.00 0.00 0.00 56.93 58.46 3fx4 s PHE 281 Cb -0.07 -2.84 0.15 0.00 0.00 0.00 0.00 43.02 40.27 3fx4 s PHE 281 CO -0.00 0.26 1.10 -1.54 -0.00 0.00 0.00 175.22 175.04 3fx4 s SER 282 N -1.60 2.97 0.34 1.36 1.04 -1.26 -4.79 113.70 111.77 3fx4 s SER 282 Ca 0.47 1.76 0.07 0.00 0.48 0.00 0.00 55.95 58.74 3fx4 s SER 282 Cb -0.18 -2.38 0.75 0.00 0.10 0.00 0.00 66.02 64.31 3fx4 s SER 282 CO 0.23 -3.00 1.89 -0.65 0.98 0.00 0.00 173.24 172.69 3fx4 h PRO 283 N -1.80 0.74 -0.57 4.02 0.11 -2.00 -1.85 132.00 130.66 3fx4 h PRO 283 Ca -0.49 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3fx4 h PRO 283 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3fx4 h PRO 283 CO 0.49 0.49 0.03 0.93 -0.21 0.00 0.00 178.00 179.74 3fx4 h GLU 284 N 0.77 0.95 -0.39 1.05 5.08 -1.99 -1.75 114.58 118.29 3fx4 h GLU 284 Ca 0.42 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3fx4 h GLU 284 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3fx4 h GLU 284 CO -0.18 0.92 -0.27 0.93 -1.00 0.00 0.00 179.01 179.41 3fx4 h GLU 285 N 0.89 0.88 -0.72 2.33 5.08 -1.84 -1.68 114.58 119.52 3fx4 h GLU 285 Ca 0.17 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3fx4 h GLU 285 Cb 0.48 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3fx4 h GLU 285 CO 0.02 1.07 0.41 0.52 -1.00 0.00 0.00 179.01 180.03 3fx4 h MET 286 N 0.69 0.72 -0.76 2.33 2.86 -1.22 -2.30 114.93 117.25 3fx4 h MET 286 Ca 0.08 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3fx4 h MET 286 Cb 0.85 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 3fx4 h MET 286 CO 0.07 0.48 0.38 -0.22 1.06 0.00 0.00 176.91 178.69 3fx4 h LYS 287 N 0.74 1.08 -0.76 1.72 3.64 -1.10 0.69 116.57 122.59 3fx4 h LYS 287 Ca 0.32 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3fx4 h LYS 287 Cb 0.20 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 3fx4 h LYS 287 CO -0.19 0.83 0.42 1.96 -2.27 0.00 0.00 179.45 180.20 3fx4 h GLN 288 N 1.06 0.70 -0.01 1.90 4.20 -0.90 -1.38 115.11 120.69 3fx4 h GLN 288 Ca 0.26 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.71 3fx4 h GLN 288 Cb 0.09 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3fx4 h GLN 288 CO -0.04 0.46 -0.91 -0.07 -0.67 0.00 0.00 178.83 177.61 3fx4 h LEU 289 N 0.72 0.51 -1.52 1.46 3.38 -0.87 -3.09 115.31 115.91 3fx4 h LEU 289 Ca 0.36 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fx4 h LEU 289 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fx4 h LEU 289 CO -0.23 1.19 -0.22 0.44 0.09 0.00 0.00 178.44 179.71 3fx4 h ASP 290 N 0.23 0.02 0.81 -0.43 3.32 -0.70 -2.83 116.42 116.85 3fx4 h ASP 290 Ca -0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3fx4 h ASP 290 Cb 1.54 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3fx4 h ASP 290 CO 0.16 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 3fx4 h ALA 291 N 1.75 1.00 0.00 3.45 0.00 -1.17 -3.08 119.26 121.22 3fx4 h ALA 291 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fx4 h ALA 291 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fx4 h ALA 291 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3fx4 n LEU 292 N -2.33 0.37 -4.66 0.00 4.77 -1.07 -4.89 117.00 109.19 3fx4 n LEU 292 Ca 0.02 0.55 -0.47 0.00 -0.03 0.00 0.00 56.01 56.08 3fx4 n LEU 292 Cb 0.25 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3fx4 n LEU 292 CO 0.21 -0.18 1.19 -3.20 -1.33 0.00 0.00 177.39 174.08 3fx4 n ASN 293 N -1.87 2.93 -0.93 -1.43 5.15 -0.81 -4.37 115.26 113.94 3fx4 n ASN 293 Ca 0.05 1.07 -0.00 0.00 -0.60 0.00 0.00 54.58 55.10 3fx4 n ASN 293 Cb 0.33 -1.38 -0.01 0.00 -0.53 0.00 0.00 39.78 38.18 3fx4 n ASN 293 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3fx4 n LYS 294 N 3.73 0.00 -3.75 1.20 2.85 -0.12 -5.00 118.16 117.07 3fx4 n LYS 294 Ca 0.18 -1.12 -0.23 0.00 -1.05 0.00 0.00 58.31 56.09 3fx4 n LYS 294 Cb 0.27 -0.02 0.02 0.00 -0.65 0.00 0.00 35.03 34.65 3fx4 n LYS 294 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3fx4 n ASN 295 N 0.16 -1.34 -4.15 -5.58 5.15 -0.87 -4.95 115.26 103.67 3fx4 n ASN 295 Ca -0.04 -0.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.70 3fx4 n ASN 295 Cb 0.80 -3.79 -0.13 0.00 -0.53 0.00 0.00 39.78 36.14 3fx4 n ASN 295 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3fx4 s LEU 296 N -6.70 4.63 -0.26 1.20 2.96 -1.06 -5.03 118.68 114.41 3fx4 s LEU 296 Ca 0.04 -1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 52.17 3fx4 s LEU 296 Cb -0.01 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3fx4 s LEU 296 CO 0.83 -0.41 0.28 -0.60 -1.32 0.00 0.00 176.35 175.13 3fx4 s ARG 297 N 1.21 4.01 -0.03 1.98 3.52 -1.26 -4.23 118.95 124.14 3fx4 s ARG 297 Ca 0.02 -0.13 0.13 0.00 -0.13 0.00 0.00 55.73 55.63 3fx4 s ARG 297 Cb -0.21 -3.63 -0.22 0.00 -1.56 0.00 0.00 34.95 29.33 3fx4 s ARG 297 CO -0.02 -0.18 0.69 1.19 -0.81 0.00 0.00 175.30 176.17 3fx4 n PHE 298 N 5.03 1.01 -3.39 5.12 0.99 -1.26 -4.77 117.46 120.19 3fx4 n PHE 298 Ca -0.11 0.36 -0.44 0.00 -0.00 0.00 0.00 57.45 57.26 3fx4 n PHE 298 Cb 0.51 -1.18 -0.06 0.00 -1.00 0.00 0.00 39.48 37.76 3fx4 n PHE 298 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3fx4 s ILE 299 N -2.64 4.88 -0.09 4.37 -1.09 -1.26 -5.01 121.20 120.36 3fx4 s ILE 299 Ca -0.04 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 56.80 3fx4 s ILE 299 Cb 0.08 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 3fx4 s ILE 299 CO 0.82 -0.83 -0.07 -0.69 -1.23 0.00 0.00 174.94 172.94 3fx4 s VAL 300 N 1.52 0.93 0.22 2.92 1.01 -1.26 -5.06 120.40 120.69 3fx4 s VAL 300 Ca 0.04 -0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3fx4 s VAL 300 Cb -0.29 -0.94 -0.12 0.00 0.00 0.00 0.00 36.38 35.03 3fx4 s VAL 300 CO 0.02 0.34 1.68 -2.65 0.00 0.00 0.00 175.10 174.49 3fx4 n PRO 301 N 4.66 2.70 -4.38 2.72 -0.02 -1.26 -4.92 135.00 134.50 3fx4 n PRO 301 Ca -0.15 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 3fx4 n PRO 301 Cb 0.50 -2.80 -0.11 0.00 -0.02 0.00 0.00 33.50 31.08 3fx4 n PRO 301 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3fx4 s MET 302 N 0.75 1.41 0.03 -0.52 -1.94 -1.26 -0.16 119.30 117.62 3fx4 s MET 302 Ca 0.73 -1.55 -0.02 0.00 -1.71 0.00 0.00 55.69 53.14 3fx4 s MET 302 Cb -0.52 -1.45 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 3fx4 s MET 302 CO 0.37 0.28 0.00 -0.51 -0.01 0.00 0.00 175.02 175.15 3fx4 s LEU 303 N -3.01 2.20 -0.43 -0.03 1.43 0.25 -4.54 118.68 114.55 3fx4 s LEU 303 Ca 0.21 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3fx4 s LEU 303 Cb -0.05 0.26 0.03 0.00 0.03 0.00 0.00 46.19 46.46 3fx4 s LEU 303 CO 0.09 -0.44 0.36 0.42 0.23 0.00 0.00 176.35 177.01 3fx4 s THR 304 N -2.44 5.20 -0.14 5.49 -4.23 -1.26 0.40 115.64 118.66 3fx4 s THR 304 Ca -0.07 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 3fx4 s THR 304 Cb -0.03 -4.00 0.04 0.00 1.34 0.00 0.00 72.50 69.85 3fx4 s THR 304 CO -0.04 -0.40 -0.03 0.54 -0.54 0.00 0.00 174.62 174.14 3fx4 s VAL 305 N 1.82 0.85 -1.38 2.29 0.11 -0.47 -4.84 120.40 118.78 3fx4 s VAL 305 Ca 0.07 -0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 3fx4 s VAL 305 Cb -0.19 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.65 3fx4 s VAL 305 CO 0.10 0.16 1.02 0.47 -3.33 0.00 0.00 175.10 173.52 3fx4 n ASP 306 N 4.97 -4.37 0.00 3.54 8.00 -1.26 -2.69 116.55 124.75 3fx4 n ASP 306 Ca -0.11 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3fx4 n ASP 306 Cb 0.49 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 3fx4 n ASP 306 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fx4 n GLY 307 N -1.70 2.09 3.49 0.44 0.00 -1.26 -5.02 105.19 103.22 3fx4 n GLY 307 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3fx4 n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fx4 s LYS 308 N -0.40 1.87 -0.28 1.61 1.02 -1.09 -5.10 119.74 117.36 3fx4 s LYS 308 Ca 0.00 -1.12 -0.18 0.00 0.02 0.00 0.00 55.97 54.69 3fx4 s LYS 308 Cb 0.00 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3fx4 s LYS 308 CO 0.00 0.50 0.51 0.50 -0.92 0.00 0.00 175.35 175.93 3fx4 s ARG 309 N -1.98 3.95 0.08 1.68 3.52 -1.26 -1.37 118.95 123.56 3fx4 s ARG 309 Ca 0.17 0.18 0.06 0.00 -0.13 0.00 0.00 55.73 56.02 3fx4 s ARG 309 Cb -0.11 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3fx4 s ARG 309 CO 0.09 -0.42 -0.17 0.08 -0.81 0.00 0.00 175.30 174.07 3fx4 s VAL 310 N 2.32 1.33 -0.16 7.11 1.01 0.16 -4.94 120.40 127.23 3fx4 s VAL 310 Ca 0.20 -1.36 -0.41 0.00 0.00 0.00 0.00 61.98 60.41 3fx4 s VAL 310 Cb -0.16 -1.24 -0.18 0.00 0.00 0.00 0.00 36.38 34.81 3fx4 s VAL 310 CO 0.10 -0.14 1.45 -2.65 0.00 0.00 0.00 175.10 173.86 3fx4 n PRO 311 N 1.27 0.63 0.06 2.72 -0.02 -1.26 0.85 135.00 139.26 3fx4 n PRO 311 Ca -0.20 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 3fx4 n PRO 311 Cb 0.54 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 3fx4 n PRO 311 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fx4 h ARG 312 N 5.02 -0.09 0.00 -0.52 2.43 -0.79 -3.41 114.38 117.02 3fx4 h ARG 312 Ca -0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3fx4 h ARG 312 Cb 1.36 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3fx4 h ARG 312 CO 0.84 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 179.12 3fx4 n ASP 313 N -5.07 0.70 0.24 -3.80 8.00 -1.26 -4.77 116.55 110.59 3fx4 n ASP 313 Ca -0.08 -1.09 0.18 0.00 0.71 0.00 0.00 54.79 54.51 3fx4 n ASP 313 Cb 0.12 0.00 0.87 0.00 -0.02 0.00 0.00 41.12 42.10 3fx4 n ASP 313 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fx4 h ALA 314 N 0.00 1.63 0.00 2.24 0.00 -1.88 0.02 119.26 121.27 3fx4 h ALA 314 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fx4 h ALA 314 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fx4 h ALA 314 CO 0.00 -0.30 -0.41 0.41 0.00 0.00 0.00 179.25 178.95 3fx4 n GLY 315 N -1.33 -1.30 3.74 0.00 0.00 -1.26 -4.91 105.19 100.12 3fx4 n GLY 315 Ca 0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3fx4 n GLY 315 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fx4 s HIS 316 N -3.00 2.87 0.55 1.61 5.04 -0.01 -4.90 115.29 117.45 3fx4 s HIS 316 Ca 0.11 0.66 0.29 0.00 -1.54 0.00 0.00 55.06 54.57 3fx4 s HIS 316 Cb 0.18 -4.04 1.45 0.00 0.04 0.00 0.00 32.58 30.21 3fx4 s HIS 316 CO 0.67 -3.68 1.94 -1.35 -2.34 0.00 0.00 174.74 169.98 3fx4 h PRO 317 N 5.74 0.00 -0.45 2.88 0.11 -1.92 -1.86 132.00 136.50 3fx4 h PRO 317 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fx4 h PRO 317 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fx4 h PRO 317 CO 0.86 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.93 3fx4 n LEU 318 N -4.20 2.92 -4.69 2.35 4.77 -1.26 -4.96 117.00 111.92 3fx4 n LEU 318 Ca 0.13 -1.37 -0.43 0.00 -0.03 0.00 0.00 56.01 54.31 3fx4 n LEU 318 Cb 0.75 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3fx4 n LEU 318 CO 0.36 0.68 1.43 0.00 -1.33 0.00 0.00 177.39 178.53 3fx4 n TYR 319 N 1.11 2.57 0.20 -1.77 4.19 -0.70 -4.60 117.16 118.16 3fx4 n TYR 319 Ca 0.19 -0.06 0.05 0.00 3.31 0.00 0.00 57.90 61.39 3fx4 n TYR 319 Cb 0.49 -2.69 0.42 0.00 0.49 0.00 0.00 39.34 38.05 3fx4 n TYR 319 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 3fx4 h PRO 320 N 8.02 0.00 -0.08 2.98 0.13 -1.91 -3.33 132.00 137.81 3fx4 h PRO 320 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3fx4 h PRO 320 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3fx4 h PRO 320 CO 0.94 0.33 0.00 1.19 -0.23 0.00 0.00 178.00 180.23 3fx4 n PHE 321 N -3.85 0.09 0.04 1.56 3.72 -1.26 -3.99 117.46 113.77 3fx4 n PHE 321 Ca -0.01 -0.04 -0.20 0.00 -0.05 0.00 0.00 57.45 57.14 3fx4 n PHE 321 Cb 0.40 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.83 3fx4 n PHE 321 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3fx4 h ASN 322 N 2.19 0.79 -4.18 4.37 2.35 -1.95 -3.45 115.58 115.70 3fx4 h ASN 322 Ca 0.00 -0.77 -0.51 0.00 -0.55 0.00 0.00 56.30 54.47 3fx4 h ASN 322 Cb 0.47 -0.24 0.20 0.00 0.05 0.00 0.00 38.32 38.80 3fx4 h ASN 322 CO 0.00 1.46 0.20 0.47 -1.65 0.00 0.00 177.43 177.91 3fx4 n ASP 323 N -3.95 0.15 -0.19 5.81 8.00 -1.26 -4.91 116.55 120.20 3fx4 n ASP 323 Ca -0.11 0.37 0.05 0.00 0.71 0.00 0.00 54.79 55.80 3fx4 n ASP 323 Cb 0.84 -1.46 0.32 0.00 -0.02 0.00 0.00 41.12 40.80 3fx4 n ASP 323 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3fx4 h PRO 324 N -1.98 0.81 0.00 -0.24 0.11 -1.93 -3.52 132.00 125.25 3fx4 h PRO 324 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fx4 h PRO 324 Cb 1.28 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fx4 h PRO 324 CO 0.42 0.53 0.00 2.48 -0.21 0.00 0.00 178.00 181.22