#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4v s VAL 6 N 0.00 4.41 0.50 1.08 1.01 -1.26 -5.10 120.40 121.05 3h4v s VAL 6 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 3h4v s VAL 6 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 3h4v s VAL 6 CO 0.00 0.59 1.17 -2.16 0.00 0.00 0.00 175.10 174.70 3h4v s PRO 7 N -0.75 3.52 -0.14 2.72 0.04 -1.26 -4.82 135.00 134.31 3h4v s PRO 7 Ca 0.12 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.92 3h4v s PRO 7 Cb -0.12 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3h4v s PRO 7 CO 0.02 -0.74 -0.15 0.08 0.04 0.00 0.00 177.00 176.25 3h4v s VAL 8 N -1.60 2.74 -0.18 -0.36 1.01 -1.26 -0.38 120.40 120.36 3h4v s VAL 8 Ca 0.68 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3h4v s VAL 8 Cb -0.28 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3h4v s VAL 8 CO 0.33 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.92 3h4v s ALA 9 N 0.61 2.96 -0.21 5.51 0.00 0.28 0.03 121.76 130.93 3h4v s ALA 9 Ca -0.09 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3h4v s ALA 9 Cb -0.16 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3h4v s ALA 9 CO 0.03 0.02 0.46 -1.17 0.00 0.00 0.00 175.76 175.10 3h4v s LEU 10 N 0.71 4.14 -0.20 0.00 2.96 0.22 0.05 118.68 126.56 3h4v s LEU 10 Ca -0.02 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3h4v s LEU 10 Cb -0.14 -2.61 0.05 0.00 0.50 0.00 0.00 46.19 43.99 3h4v s LEU 10 CO 0.02 -0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.16 3h4v s VAL 11 N 1.54 1.41 0.41 1.68 1.01 -0.14 -0.88 120.40 125.43 3h4v s VAL 11 Ca 0.21 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3h4v s VAL 11 Cb -0.15 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 3h4v s VAL 11 CO 0.09 0.05 0.96 0.42 0.00 0.00 0.00 175.10 176.62 3h4v s THR 12 N 1.48 4.25 -1.43 3.92 -4.23 -1.00 -0.73 115.64 117.90 3h4v s THR 12 Ca -0.02 1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.91 3h4v s THR 12 Cb -0.17 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3h4v s THR 12 CO -0.07 -0.19 1.01 0.61 -0.54 0.00 0.00 174.62 175.44 3h4v n GLY 13 N -0.27 -0.48 0.00 3.99 0.00 -1.23 -2.94 105.19 104.26 3h4v n GLY 13 Ca 0.06 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.42 3h4v n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4v n ALA 14 N -4.70 2.30 0.01 4.61 0.00 -0.50 -4.20 120.51 118.04 3h4v n ALA 14 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 3h4v n ALA 14 Cb 0.57 -1.46 0.21 0.00 0.00 0.00 0.00 19.45 18.77 3h4v n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h4v h ALA 15 N 3.00 1.14 -3.73 0.00 0.00 -1.87 -2.67 119.26 115.14 3h4v h ALA 15 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 3h4v h ALA 15 Cb 0.47 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3h4v h ALA 15 CO 0.00 0.54 -0.18 1.63 0.00 0.00 0.00 179.25 181.24 3h4v n LYS 16 N -4.14 0.19 0.00 0.00 5.02 -1.26 -4.49 118.16 113.47 3h4v n LYS 16 Ca -0.00 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 3h4v n LYS 16 Cb 0.38 1.17 0.00 0.00 -0.02 0.00 0.00 35.03 36.56 3h4v n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h4v n ARG 17 N -0.27 0.00 0.13 1.97 1.74 -1.26 -0.97 116.66 118.00 3h4v n ARG 17 Ca 0.03 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3h4v n ARG 17 Cb 0.26 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.83 3h4v n ARG 17 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h4v h LEU 18 N 0.00 0.00 -1.03 0.55 3.38 -1.92 -2.71 115.31 113.58 3h4v h LEU 18 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3h4v h LEU 18 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h4v h LEU 18 CO 0.00 0.62 -0.04 1.23 0.09 0.00 0.00 178.44 180.33 3h4v h GLY 19 N 2.40 0.70 0.47 0.83 0.00 -1.64 -2.37 103.07 103.46 3h4v h GLY 19 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3h4v h GLY 19 CO 0.08 0.43 -0.05 -0.09 0.00 0.00 0.00 176.54 176.91 3h4v h ARG 20 N 0.61 -0.13 -0.59 4.80 2.43 -0.69 -1.58 114.38 119.24 3h4v h ARG 20 Ca 0.12 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.47 3h4v h ARG 20 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3h4v h ARG 20 CO 0.02 0.33 0.45 1.03 -1.51 0.00 0.00 179.97 180.30 3h4v h SER 21 N -0.66 0.00 0.00 -3.80 0.87 -1.48 0.32 113.55 108.80 3h4v h SER 21 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3h4v h SER 21 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3h4v h SER 21 CO 0.02 0.00 -0.00 0.40 -0.53 0.00 0.00 176.83 176.72 3h4v h ILE 22 N 0.00 1.66 -0.58 2.23 2.04 -1.23 -1.11 117.51 120.53 3h4v h ILE 22 Ca 0.28 -2.17 0.12 0.00 1.00 0.00 0.00 64.86 64.09 3h4v h ILE 22 Cb 1.18 3.10 -0.10 0.00 -0.74 0.00 0.00 36.82 40.27 3h4v h ILE 22 CO -0.00 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.70 3h4v h ALA 23 N -0.01 0.56 -0.35 1.87 0.00 -0.79 0.16 119.26 120.70 3h4v h ALA 23 Ca -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h4v h ALA 23 Cb 0.90 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3h4v h ALA 23 CO 0.00 -0.39 0.14 0.93 0.00 0.00 0.00 179.25 179.93 3h4v h GLU 24 N 0.12 0.52 -0.80 0.00 5.08 -0.43 0.45 114.58 119.52 3h4v h GLU 24 Ca 0.30 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3h4v h GLU 24 Cb 0.47 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3h4v h GLU 24 CO -0.49 0.51 0.44 0.78 -1.00 0.00 0.00 179.01 179.26 3h4v h GLY 25 N 0.42 1.19 0.76 -3.84 0.00 -0.97 -0.81 103.07 99.82 3h4v h GLY 25 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3h4v h GLY 25 CO -0.01 0.51 -0.04 1.41 0.00 0.00 0.00 176.54 178.42 3h4v h LEU 26 N 1.11 0.29 -0.82 3.11 3.38 -0.85 -3.15 115.31 118.37 3h4v h LEU 26 Ca 0.28 -0.37 0.17 0.00 0.09 0.00 0.00 57.88 58.05 3h4v h LEU 26 Cb 0.02 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 3h4v h LEU 26 CO -0.05 0.59 0.36 -0.74 0.09 0.00 0.00 178.44 178.69 3h4v h HIS 27 N -0.02 0.61 0.00 1.13 2.76 -0.75 -0.32 115.15 118.57 3h4v h HIS 27 Ca 0.04 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3h4v h HIS 27 Cb 0.46 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3h4v h HIS 27 CO 0.05 0.06 -0.01 0.00 -1.30 0.00 0.00 177.93 176.73 3h4v h ALA 28 N 1.60 1.03 -0.00 5.26 0.00 -1.11 -1.57 119.26 124.47 3h4v h ALA 28 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3h4v h ALA 28 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3h4v h ALA 28 CO -0.43 0.01 -0.34 0.39 0.00 0.00 0.00 179.25 178.87 3h4v n GLU 29 N -3.14 0.49 0.00 0.00 -0.58 -0.19 -4.94 120.64 112.28 3h4v n GLU 29 Ca -0.02 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3h4v n GLU 29 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3h4v n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h4v n GLY 30 N 1.40 0.81 3.77 0.62 0.00 -0.59 -5.11 105.19 106.09 3h4v n GLY 30 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3h4v n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h4v s TYR 31 N -2.00 3.05 0.21 1.61 1.51 -0.86 -4.51 117.35 116.36 3h4v s TYR 31 Ca 0.00 1.55 -0.23 0.00 -1.01 0.00 0.00 57.07 57.39 3h4v s TYR 31 Cb 0.00 -3.39 -0.08 0.00 -0.11 0.00 0.00 41.96 38.38 3h4v s TYR 31 CO 0.00 -1.32 0.77 0.00 -1.11 0.00 0.00 175.55 173.89 3h4v s ALA 32 N -1.43 3.41 -0.15 3.71 0.00 0.49 -4.30 121.76 123.49 3h4v s ALA 32 Ca 0.58 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3h4v s ALA 32 Cb -0.30 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3h4v s ALA 32 CO 0.38 0.30 -0.09 0.08 0.00 0.00 0.00 175.76 176.42 3h4v s VAL 33 N -1.36 1.32 -0.34 0.00 1.01 -0.57 -0.56 120.40 119.89 3h4v s VAL 33 Ca 0.40 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 3h4v s VAL 33 Cb -0.20 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3h4v s VAL 33 CO 0.23 0.29 0.91 0.00 0.00 0.00 0.00 175.10 176.54 3h4v s LEU 35 N 3.34 5.23 0.37 0.00 1.43 0.44 -0.97 118.68 128.52 3h4v s LEU 35 Ca 0.38 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 3h4v s LEU 35 Cb -0.13 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3h4v s LEU 35 CO 0.16 -0.66 0.75 -2.28 0.23 0.00 0.00 176.35 174.55 3h4v s HIS 36 N 2.00 3.44 0.19 0.29 5.65 0.09 -1.67 115.29 125.27 3h4v s HIS 36 Ca 0.09 1.09 -0.19 0.00 0.25 0.00 0.00 55.06 56.30 3h4v s HIS 36 Cb -0.21 -2.47 0.04 0.00 -1.18 0.00 0.00 32.58 28.76 3h4v s HIS 36 CO 0.10 -0.03 0.54 1.52 -0.65 0.00 0.00 174.74 176.22 3h4v s TYR 37 N -2.23 -0.22 0.02 3.88 -0.85 -0.88 -1.41 117.35 115.66 3h4v s TYR 37 Ca 0.52 -0.10 -0.02 0.00 -0.52 0.00 0.00 57.07 56.95 3h4v s TYR 37 Cb -0.10 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.67 3h4v s TYR 37 CO 0.26 -0.91 -0.04 1.58 -1.52 0.00 0.00 175.55 174.93 3h4v n HIS 38 N -0.35 0.00 -0.02 -3.49 -0.00 -1.26 -1.70 115.22 108.40 3h4v n HIS 38 Ca -0.12 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.64 3h4v n HIS 38 Cb 0.63 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.99 30.46 3h4v n HIS 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3h4v n ARG 39 N -3.08 0.73 -1.74 1.57 1.74 -1.26 -4.71 116.66 109.92 3h4v n ARG 39 Ca -0.02 -0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.64 3h4v n ARG 39 Cb 0.06 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3h4v n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h4v n SER 40 N -2.07 7.13 -0.15 0.55 7.64 -1.26 -4.74 113.62 120.73 3h4v n SER 40 Ca -0.06 -3.22 -0.03 0.00 1.01 0.00 0.00 58.87 56.57 3h4v n SER 40 Cb 0.47 -1.27 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 3h4v n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h4v h ALA 41 N 3.64 0.48 -0.17 -0.43 0.00 -1.95 -1.88 119.26 118.95 3h4v h ALA 41 Ca 0.52 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 3h4v h ALA 41 Cb 0.52 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h4v h ALA 41 CO 1.13 -0.36 0.09 0.00 0.00 0.00 0.00 179.25 180.11 3h4v h ALA 42 N 1.40 0.22 -0.33 0.00 0.00 -2.00 -0.95 119.26 117.60 3h4v h ALA 42 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3h4v h ALA 42 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3h4v h ALA 42 CO -0.36 -0.25 -0.16 0.93 0.00 0.00 0.00 179.25 179.42 3h4v h GLU 43 N 0.17 0.58 -0.09 0.00 3.07 -1.88 -2.03 114.58 114.40 3h4v h GLU 43 Ca 0.06 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 3h4v h GLU 43 Cb 0.08 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3h4v h GLU 43 CO -0.01 0.72 -0.09 0.00 -1.40 0.00 0.00 179.01 178.23 3h4v h ALA 44 N 1.30 0.13 -0.28 3.43 0.00 -1.14 -1.94 119.26 120.76 3h4v h ALA 44 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3h4v h ALA 44 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h4v h ALA 44 CO 0.04 -0.04 0.07 -0.91 0.00 0.00 0.00 179.25 178.40 3h4v h ASN 45 N -0.21 0.36 -0.35 0.00 2.35 -1.18 -0.19 115.58 116.36 3h4v h ASN 45 Ca 0.01 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 3h4v h ASN 45 Cb 0.60 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3h4v h ASN 45 CO 0.02 0.37 -0.33 0.00 -1.65 0.00 0.00 177.43 175.84 3h4v h ALA 46 N 1.69 0.51 -0.44 -0.83 0.00 -1.34 -1.83 119.26 117.02 3h4v h ALA 46 Ca 0.10 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3h4v h ALA 46 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h4v h ALA 46 CO -0.00 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 181.03 3h4v h LEU 47 N 0.63 0.79 -0.44 0.00 5.85 -0.94 -2.06 115.31 119.14 3h4v h LEU 47 Ca 0.06 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.52 3h4v h LEU 47 Cb 0.91 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3h4v h LEU 47 CO 0.08 0.93 0.11 -1.28 -0.34 0.00 0.00 178.44 177.94 3h4v h SER 48 N 0.64 0.05 -0.78 1.25 0.87 -1.01 -2.02 113.55 112.56 3h4v h SER 48 Ca 0.12 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3h4v h SER 48 Cb 0.54 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 3h4v h SER 48 CO 0.03 0.06 0.49 0.00 -0.53 0.00 0.00 176.83 176.87 3h4v h ALA 49 N 1.33 1.03 -0.61 6.23 0.00 -1.06 0.22 119.26 126.39 3h4v h ALA 49 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h4v h ALA 49 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3h4v h ALA 49 CO -0.27 0.27 0.30 1.15 0.00 0.00 0.00 179.25 180.70 3h4v h THR 50 N 0.93 1.21 -0.08 0.00 2.02 -1.05 0.32 112.91 116.28 3h4v h THR 50 Ca 0.32 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3h4v h THR 50 Cb 0.06 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3h4v h THR 50 CO -0.13 0.25 -0.34 -0.07 0.37 0.00 0.00 175.52 175.59 3h4v h LEU 51 N 0.84 0.44 -1.35 2.58 3.38 -0.61 -2.71 115.31 117.88 3h4v h LEU 51 Ca 0.21 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3h4v h LEU 51 Cb 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3h4v h LEU 51 CO -0.03 1.00 0.46 0.78 0.09 0.00 0.00 178.44 180.74 3h4v h ASN 52 N -0.11 0.74 -0.12 -0.43 2.35 -0.56 -0.29 115.58 117.18 3h4v h ASN 52 Ca -0.02 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3h4v h ASN 52 Cb 0.99 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3h4v h ASN 52 CO 0.07 0.52 -0.06 0.00 -1.65 0.00 0.00 177.43 176.31 3h4v h ALA 53 N 1.59 1.42 0.00 -0.83 0.00 -0.76 -1.97 119.26 118.71 3h4v h ALA 53 Ca 0.27 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3h4v h ALA 53 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h4v h ALA 53 CO -0.07 0.40 -1.03 0.00 0.00 0.00 0.00 179.25 178.55 3h4v h ARG 54 N 0.38 0.00 -1.44 0.00 3.08 -1.09 -3.43 114.38 111.88 3h4v h ARG 54 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3h4v h ARG 54 Cb 0.36 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.15 3h4v h ARG 54 CO 0.02 0.67 -0.40 0.50 -1.07 0.00 0.00 179.97 179.69 3h4v s ARG 55 N -2.79 0.46 0.30 0.04 3.52 -0.18 -5.11 118.95 115.20 3h4v s ARG 55 Ca 0.00 0.65 -0.28 0.00 -0.13 0.00 0.00 55.73 55.98 3h4v s ARG 55 Cb 0.09 0.00 -0.14 0.00 -1.56 0.00 0.00 34.95 33.35 3h4v s ARG 55 CO 0.80 -0.74 1.06 -2.30 -0.81 0.00 0.00 175.30 173.31 3h4v n PRO 56 N 5.39 1.49 -2.81 5.12 -0.02 -0.80 -2.60 135.00 140.77 3h4v n PRO 56 Ca -0.01 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 3h4v n PRO 56 Cb 0.51 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3h4v n PRO 56 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3h4v n ASN 57 N 1.11 -5.64 -0.85 2.55 5.15 -1.26 -4.89 115.26 111.43 3h4v n ASN 57 Ca 0.09 -0.17 0.07 0.00 -0.60 0.00 0.00 54.58 53.97 3h4v n ASN 57 Cb 0.33 -4.62 0.21 0.00 -0.53 0.00 0.00 39.78 35.17 3h4v n ASN 57 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3h4v n SER 58 N -2.28 3.44 -3.54 1.20 3.41 -1.07 -4.96 113.62 109.81 3h4v n SER 58 Ca -0.15 -2.32 -0.17 0.00 -0.26 0.00 0.00 58.87 55.98 3h4v n SER 58 Cb 0.63 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3h4v n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4v s ALA 59 N -1.57 -1.77 0.11 7.33 0.00 -1.26 -1.52 121.76 123.07 3h4v s ALA 59 Ca 0.33 1.47 -0.06 0.00 0.00 0.00 0.00 51.96 53.70 3h4v s ALA 59 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3h4v s ALA 59 CO 0.16 -0.36 0.14 0.96 0.00 0.00 0.00 175.76 176.66 3h4v s ILE 60 N -0.86 0.13 0.04 0.00 -4.36 -0.96 -4.91 121.20 110.29 3h4v s ILE 60 Ca -0.09 -1.49 0.09 0.00 -0.26 0.00 0.00 60.65 58.90 3h4v s ILE 60 Cb -0.01 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 3h4v s ILE 60 CO 0.08 -0.61 -0.25 0.42 0.24 0.00 0.00 174.94 174.82 3h4v s THR 61 N -3.93 2.05 -0.01 8.37 -4.23 -1.26 -0.42 115.64 116.20 3h4v s THR 61 Ca 0.12 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3h4v s THR 61 Cb 0.06 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.16 3h4v s THR 61 CO -0.06 0.34 -0.00 0.68 -0.54 0.00 0.00 174.62 175.04 3h4v s VAL 62 N -0.79 0.11 -0.13 2.29 -7.23 -0.67 -4.93 120.40 109.05 3h4v s VAL 62 Ca 0.11 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.27 3h4v s VAL 62 Cb -0.10 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 3h4v s VAL 62 CO 0.02 0.08 0.05 -1.58 -0.31 0.00 0.00 175.10 173.37 3h4v s GLN 63 N 0.55 3.47 -0.24 4.82 -0.44 -1.26 -2.06 119.66 124.50 3h4v s GLN 63 Ca -0.05 -0.32 -0.20 0.00 -2.50 0.00 0.00 55.36 52.29 3h4v s GLN 63 Cb -0.08 -3.04 0.06 0.00 -1.64 0.00 0.00 33.01 28.32 3h4v s GLN 63 CO -0.01 0.56 0.62 0.00 0.50 0.00 0.00 175.29 176.95 3h4v s ALA 64 N -0.44 -1.56 -0.34 1.58 0.00 -0.69 -4.96 121.76 115.36 3h4v s ALA 64 Ca 0.09 1.85 -0.29 0.00 0.00 0.00 0.00 51.96 53.61 3h4v s ALA 64 Cb -0.12 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3h4v s ALA 64 CO 0.02 -0.31 1.12 0.34 0.00 0.00 0.00 175.76 176.93 3h4v s ASP 65 N 0.64 6.86 -0.02 0.00 2.15 -1.26 -4.24 116.67 120.80 3h4v s ASP 65 Ca -0.02 1.00 0.15 0.00 0.43 0.00 0.00 52.55 54.10 3h4v s ASP 65 Cb -0.05 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.47 3h4v s ASP 65 CO -0.04 -0.96 1.36 0.18 -0.17 0.00 0.00 175.17 175.55 3h4v n LEU 66 N 7.10 2.78 -4.76 -1.34 4.77 -1.26 -4.93 117.00 119.37 3h4v n LEU 66 Ca 0.12 -1.39 -0.37 0.00 -0.03 0.00 0.00 56.01 54.34 3h4v n LEU 66 Cb 0.47 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3h4v n LEU 66 CO 0.61 0.64 0.87 -0.55 -1.33 0.00 0.00 177.39 177.64 3h4v s SER 67 N -0.95 5.51 -1.42 -1.43 0.15 -1.26 -2.97 113.70 111.32 3h4v s SER 67 Ca 0.33 2.45 -0.11 0.00 0.70 0.00 0.00 55.95 59.31 3h4v s SER 67 Cb 0.18 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 3h4v s SER 67 CO 0.21 -1.38 2.56 -3.20 1.20 0.00 0.00 173.24 172.63 3h4v n ASN 68 N -1.13 6.37 -4.17 5.45 5.15 -0.19 -4.78 115.26 121.96 3h4v n ASN 68 Ca 0.11 -2.62 -0.18 0.00 -0.60 0.00 0.00 54.58 51.29 3h4v n ASN 68 Cb 0.48 -1.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.12 3h4v n ASN 68 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3h4v s VAL 69 N 2.85 1.10 -0.07 3.44 -7.23 -1.26 -4.86 120.40 114.37 3h4v s VAL 69 Ca 0.58 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 3h4v s VAL 69 Cb 0.15 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 3h4v s VAL 69 CO -0.05 -0.25 0.96 0.00 -0.31 0.00 0.00 175.10 175.45 3h4v s ALA 70 N -1.36 3.32 0.74 1.32 0.00 -1.26 -3.47 121.76 121.04 3h4v s ALA 70 Ca -0.02 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 3h4v s ALA 70 Cb -0.10 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.79 3h4v s ALA 70 CO 0.02 -0.44 1.02 0.95 0.00 0.00 0.00 175.76 177.31 3h4v s THR 71 N 1.58 2.19 -0.21 0.00 -4.23 0.10 -4.81 115.64 110.25 3h4v s THR 71 Ca 0.48 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 3h4v s THR 71 Cb -0.19 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3h4v s THR 71 CO 0.21 0.00 0.35 0.00 -0.54 0.00 0.00 174.62 174.64 3h4v s ALA 72 N -3.22 3.57 0.35 3.99 0.00 -1.26 -0.06 121.76 125.13 3h4v s ALA 72 Ca 0.66 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3h4v s ALA 72 Cb -0.06 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3h4v s ALA 72 CO 0.45 -0.30 0.71 -0.35 0.00 0.00 0.00 175.76 176.26 3h4v n PRO 73 N 4.49 0.02 0.00 0.00 -0.04 -1.26 -4.85 135.00 133.35 3h4v n PRO 73 Ca -0.10 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3h4v n PRO 73 Cb 0.51 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 3h4v n PRO 73 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3h4v n VAL 74 N -1.71 0.00 0.00 0.52 0.31 -1.26 -4.95 118.33 111.23 3h4v n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h4v n VAL 74 Cb 0.71 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 3h4v n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h4v n GLY 76 N 0.00 0.00 0.00 2.92 0.00 -1.26 -5.10 105.19 101.74 3h4v n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h4v n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4v n ALA 77 N 0.00 0.00 -0.06 4.61 0.00 -1.26 -5.11 120.51 118.70 3h4v n ALA 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3h4v n ALA 77 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3h4v n ALA 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3h4v h ASP 78 N 0.00 0.00 -2.86 0.00 3.58 -2.06 -3.41 116.42 111.67 3h4v h ASP 78 Ca 0.00 -0.03 -0.66 0.00 0.42 0.00 0.00 57.03 56.76 3h4v h ASP 78 Cb 0.00 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.67 3h4v h ASP 78 CO 0.00 0.57 -0.27 0.61 -2.88 0.00 0.00 179.24 177.27 3h4v n GLY 79 N 1.74 4.43 3.83 -0.78 0.00 -1.26 -5.02 105.19 108.14 3h4v n GLY 79 Ca -0.02 -2.66 0.04 0.00 0.00 0.00 0.00 46.02 43.38 3h4v n GLY 79 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h4v s SER 80 N -1.41 -0.01 0.04 1.61 0.15 -1.26 -5.12 113.70 107.71 3h4v s SER 80 Ca 0.31 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.96 3h4v s SER 80 Cb 0.02 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3h4v s SER 80 CO -0.08 -0.10 -0.16 0.00 1.20 0.00 0.00 173.24 174.11 3h4v s ALA 81 N -2.05 1.34 0.57 5.45 0.00 -1.26 -5.00 121.76 120.80 3h4v s ALA 81 Ca 0.25 -0.90 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 3h4v s ALA 81 Cb 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 3h4v s ALA 81 CO -0.04 0.27 1.05 -2.30 0.00 0.00 0.00 175.76 174.74 3h4v n PRO 82 N 1.84 1.12 -3.23 0.00 -0.02 -1.26 -4.41 135.00 129.03 3h4v n PRO 82 Ca -0.18 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 3h4v n PRO 82 Cb 0.54 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 3h4v n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h4v s VAL 83 N -1.43 5.05 0.70 -1.45 1.01 0.91 -4.86 120.40 120.33 3h4v s VAL 83 Ca 0.73 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 3h4v s VAL 83 Cb -0.44 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3h4v s VAL 83 CO 0.49 0.03 1.10 0.42 0.00 0.00 0.00 175.10 177.14 3h4v s THR 84 N 2.34 3.26 0.22 3.92 -4.23 -1.26 0.02 115.64 119.91 3h4v s THR 84 Ca 0.21 0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 3h4v s THR 84 Cb -0.16 -3.02 0.17 0.00 1.34 0.00 0.00 72.50 70.83 3h4v s THR 84 CO 0.10 -0.43 1.74 0.25 -0.54 0.00 0.00 174.62 175.74 3h4v h LEU 85 N -0.41 0.23 -0.56 4.79 5.85 -1.86 -2.00 115.31 121.36 3h4v h LEU 85 Ca -0.46 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.47 3h4v h LEU 85 Cb 1.24 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.24 3h4v h LEU 85 CO 0.53 0.12 -0.04 0.15 -0.34 0.00 0.00 178.44 178.86 3h4v h PHE 86 N 0.42 -0.11 -0.15 1.25 3.57 -1.92 -0.63 116.94 119.36 3h4v h PHE 86 Ca 0.33 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 3h4v h PHE 86 Cb 0.44 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3h4v h PHE 86 CO -0.17 -0.17 0.09 1.15 -2.23 0.00 0.00 178.31 176.98 3h4v h THR 87 N 0.08 1.07 -0.52 4.41 2.02 -1.83 0.93 112.91 119.07 3h4v h THR 87 Ca 0.28 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3h4v h THR 87 Cb 0.45 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3h4v h THR 87 CO -0.51 0.07 0.31 0.03 0.37 0.00 0.00 175.52 175.79 3h4v h ARG 88 N 0.17 0.70 -0.10 6.66 3.08 -0.83 0.05 114.38 124.11 3h4v h ARG 88 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3h4v h ARG 88 Cb 0.03 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3h4v h ARG 88 CO -0.01 0.50 -0.01 0.00 -1.07 0.00 0.00 179.97 179.38 3h4v h ALA 90 N 0.72 0.91 -0.20 0.00 0.00 -0.40 -2.29 119.26 118.01 3h4v h ALA 90 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h4v h ALA 90 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h4v h ALA 90 CO 0.01 -0.11 0.07 0.93 0.00 0.00 0.00 179.25 180.14 3h4v h GLU 91 N 0.52 0.27 0.05 0.00 5.08 -0.96 0.26 114.58 119.80 3h4v h GLU 91 Ca 0.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3h4v h GLU 91 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h4v h GLU 91 CO -0.29 0.24 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.87 3h4v h LEU 92 N 0.28 -0.06 -0.43 1.33 3.38 -0.84 0.83 115.31 119.80 3h4v h LEU 92 Ca 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3h4v h LEU 92 Cb 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3h4v h LEU 92 CO -0.01 0.09 -0.01 0.58 0.09 0.00 0.00 178.44 179.19 3h4v h VAL 93 N -0.21 1.26 -0.95 1.22 2.07 -1.25 -2.90 116.25 115.50 3h4v h VAL 93 Ca -0.01 -1.05 0.14 0.00 0.82 0.00 0.00 66.70 66.60 3h4v h VAL 93 Cb 0.18 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 3h4v h VAL 93 CO 0.01 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.53 3h4v h ALA 94 N 0.90 1.45 -0.80 1.67 0.00 -0.38 -1.25 119.26 120.86 3h4v h ALA 94 Ca 0.12 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3h4v h ALA 94 Cb 0.50 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3h4v h ALA 94 CO 0.02 0.09 0.53 0.00 0.00 0.00 0.00 179.25 179.89 3h4v h ALA 95 N 1.55 2.06 -0.11 0.00 0.00 -0.61 0.63 119.26 122.79 3h4v h ALA 95 Ca 0.49 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.21 3h4v h ALA 95 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h4v h ALA 95 CO -0.31 -0.28 -0.76 0.00 0.00 0.00 0.00 179.25 177.90 3h4v h TYR 97 N 0.41 0.87 -0.70 0.00 -1.99 -0.83 -1.19 116.97 113.54 3h4v h TYR 97 Ca -0.04 -0.46 0.12 0.00 2.00 0.00 0.00 58.73 60.34 3h4v h TYR 97 Cb 1.36 -0.10 -0.08 0.00 2.00 0.00 0.00 36.73 39.90 3h4v h TYR 97 CO 0.07 1.29 0.29 1.15 -0.00 0.00 0.00 178.16 180.96 3h4v h THR 98 N 0.20 0.73 0.13 -2.88 2.02 -1.07 0.52 112.91 112.56 3h4v h THR 98 Ca -0.10 -0.16 -0.35 0.00 0.77 0.00 0.00 66.41 66.57 3h4v h THR 98 Cb 1.51 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3h4v h THR 98 CO 0.17 0.09 -1.86 -0.74 0.37 0.00 0.00 175.52 173.54 3h4v h HIS 99 N 0.47 0.51 0.00 3.16 -0.00 -1.49 -3.41 115.15 114.38 3h4v h HIS 99 Ca 0.37 -0.37 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3h4v h HIS 99 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3h4v h HIS 99 CO -0.16 1.66 0.00 0.91 -0.00 0.00 0.00 177.93 180.34 3h4v n TRP 100 N -3.47 0.00 -1.01 5.26 8.01 -0.47 -5.01 117.44 120.75 3h4v n TRP 100 Ca -0.27 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 55.92 3h4v n TRP 100 Cb 1.06 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.36 3h4v n TRP 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h4v n GLY 101 N 0.23 0.45 3.68 6.99 0.00 0.18 -4.77 105.19 111.96 3h4v n GLY 101 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3h4v n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h4v s ARG 102 N -0.42 1.50 -0.26 1.61 1.70 -1.22 -4.87 118.95 116.99 3h4v s ARG 102 Ca 0.00 -0.74 -0.01 0.00 -0.47 0.00 0.00 55.73 54.51 3h4v s ARG 102 Cb 0.00 0.57 0.14 0.00 -0.57 0.00 0.00 34.95 35.09 3h4v s ARG 102 CO 0.00 -0.68 0.40 0.00 -1.08 0.00 0.00 175.30 173.94 3h4v n ASP 104 N 5.36 1.06 -4.11 0.00 8.00 0.10 -4.93 116.55 122.04 3h4v n ASP 104 Ca -0.02 -0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 3h4v n ASP 104 Cb 0.50 0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 41.61 3h4v n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h4v s VAL 105 N -2.52 1.49 -0.12 2.53 1.01 -0.36 -1.19 120.40 121.25 3h4v s VAL 105 Ca -0.21 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3h4v s VAL 105 Cb 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3h4v s VAL 105 CO 0.73 0.43 -0.21 -0.22 0.00 0.00 0.00 175.10 175.84 3h4v s LEU 106 N 0.44 2.01 -0.22 3.92 2.96 -0.48 -0.61 118.68 126.70 3h4v s LEU 106 Ca -0.14 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.21 3h4v s LEU 106 Cb -0.16 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3h4v s LEU 106 CO 0.05 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.38 3h4v s VAL 107 N 0.76 2.80 -0.84 1.68 1.01 -0.05 -0.08 120.40 125.67 3h4v s VAL 107 Ca -0.09 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 3h4v s VAL 107 Cb -0.16 -2.31 0.17 0.00 0.00 0.00 0.00 36.38 34.08 3h4v s VAL 107 CO 0.00 0.37 0.91 0.20 0.00 0.00 0.00 175.10 176.58 3h4v s ASN 108 N 1.36 6.63 -0.06 3.32 0.01 0.12 -2.37 114.94 123.95 3h4v s ASN 108 Ca 0.03 -2.25 0.04 0.00 -0.71 0.00 0.00 52.86 49.97 3h4v s ASN 108 Cb -0.15 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.14 3h4v s ASN 108 CO -0.07 -0.85 -0.00 -3.20 -1.51 0.00 0.00 177.10 171.47 3h4v n ASN 109 N 5.38 3.49 -4.68 -1.22 5.15 -1.26 -1.67 115.26 120.46 3h4v n ASN 109 Ca 0.15 -0.01 -0.44 0.00 -0.60 0.00 0.00 54.58 53.68 3h4v n ASN 109 Cb 0.47 0.46 -0.02 0.00 -0.53 0.00 0.00 39.78 40.16 3h4v n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h4v n ALA 110 N -2.35 1.11 -3.58 5.20 0.00 -1.15 -4.84 120.51 114.90 3h4v n ALA 110 Ca -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 3h4v n ALA 110 Cb 0.68 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 3h4v n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h4v s SER 111 N 0.03 -0.64 0.52 0.00 0.15 -1.26 -4.41 113.70 108.08 3h4v s SER 111 Ca 0.63 0.97 -0.08 0.00 0.70 0.00 0.00 55.95 58.17 3h4v s SER 111 Cb -0.62 1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 3h4v s SER 111 CO 0.55 -0.15 0.88 -0.94 1.20 0.00 0.00 173.24 174.78 3h4v s SER 112 N 1.82 6.31 -0.29 5.45 1.04 -1.26 -5.03 113.70 121.73 3h4v s SER 112 Ca -0.07 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.54 3h4v s SER 112 Cb -0.05 -2.35 0.20 0.00 0.10 0.00 0.00 66.02 63.92 3h4v s SER 112 CO -0.17 -0.65 0.67 0.12 0.98 0.00 0.00 173.24 174.20 3h4v s PHE 113 N -2.83 -1.60 0.12 5.02 5.36 -1.26 -4.91 117.98 117.89 3h4v s PHE 113 Ca 0.51 0.98 -0.24 0.00 -0.96 0.00 0.00 56.93 57.22 3h4v s PHE 113 Cb -0.10 0.29 0.08 0.00 -0.34 0.00 0.00 43.02 42.94 3h4v s PHE 113 CO 0.45 -0.93 0.66 1.52 -1.46 0.00 0.00 175.22 175.46 3h4v s TYR 114 N 2.86 -0.51 0.35 10.12 -0.85 -1.26 -5.16 117.35 122.90 3h4v s TYR 114 Ca 0.14 0.33 -0.29 0.00 -0.52 0.00 0.00 57.07 56.73 3h4v s TYR 114 Cb -0.09 0.55 -0.12 0.00 0.38 0.00 0.00 41.96 42.69 3h4v s TYR 114 CO -0.25 -0.78 1.46 -2.30 -1.52 0.00 0.00 175.55 172.16 3h4v n PRO 115 N -0.31 2.53 -3.57 -3.49 -0.02 -1.26 -4.75 135.00 124.13 3h4v n PRO 115 Ca -0.15 0.89 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 3h4v n PRO 115 Cb 0.64 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 3h4v n PRO 115 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3h4v n THR 116 N 0.81 0.49 -1.96 3.45 -2.24 0.18 -4.96 114.28 110.05 3h4v n THR 116 Ca 0.04 -4.33 -0.41 0.00 -2.27 0.00 0.00 64.05 57.08 3h4v n THR 116 Cb 0.37 -1.97 -0.01 0.00 -2.10 0.00 0.00 70.33 66.63 3h4v n THR 116 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3h4v s PRO 117 N -1.07 4.24 -0.03 -0.78 0.02 -1.17 -4.18 135.00 132.03 3h4v s PRO 117 Ca 0.31 2.39 -0.25 0.00 0.02 0.00 0.00 61.00 63.47 3h4v s PRO 117 Cb 0.04 -3.03 -0.20 0.00 0.02 0.00 0.00 34.50 31.33 3h4v s PRO 117 CO -0.15 -0.36 1.19 -0.07 -0.33 0.00 0.00 177.00 177.28 3h4v h LEU 118 N 3.38 0.09 -9.40 -5.54 3.38 -2.00 -3.44 115.31 101.78 3h4v h LEU 118 Ca -0.49 -0.58 -0.57 0.00 0.09 0.00 0.00 57.88 56.32 3h4v h LEU 118 Cb 1.23 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3h4v h LEU 118 CO 0.66 0.66 -0.04 -0.76 0.09 0.00 0.00 178.44 179.04 3h4v s LEU 119 N -9.00 4.33 0.00 1.67 1.43 -1.26 -5.24 118.68 110.61 3h4v s LEU 119 Ca -0.16 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3h4v s LEU 119 Cb 0.02 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3h4v s LEU 119 CO 0.70 0.00 0.00 -1.14 0.23 0.00 0.00 176.35 176.14 3h4v n ARG 120 N 3.42 3.74 -1.03 1.70 3.00 -1.26 -5.13 116.66 121.11 3h4v n ARG 120 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3h4v n ARG 120 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 3h4v n ARG 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3h4v n GLY 131 N 5.00 0.00 2.19 5.14 0.00 -1.26 -5.19 105.19 111.07 3h4v n GLY 131 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3h4v n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h4v n ASP 132 N -0.54 -5.96 0.00 1.61 -0.08 -1.26 -4.64 116.55 105.68 3h4v n ASP 132 Ca 0.00 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 3h4v n ASP 132 Cb 0.00 -2.73 0.00 0.00 2.34 0.00 0.00 41.12 40.73 3h4v n ASP 132 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3h4v n ARG 133 N -2.92 0.00 -0.16 -0.67 3.00 -1.26 -3.60 116.66 111.05 3h4v n ARG 133 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.77 3h4v n ARG 133 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 3h4v n ARG 133 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3h4v h GLU 134 N 0.00 0.72 -0.07 -0.14 3.07 -1.98 0.30 114.58 116.48 3h4v h GLU 134 Ca 0.00 -0.15 0.03 0.00 -0.50 0.00 0.00 59.36 58.74 3h4v h GLU 134 Cb 0.00 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 3h4v h GLU 134 CO 0.00 0.68 -0.12 0.00 -1.40 0.00 0.00 179.01 178.17 3h4v h ALA 135 N 1.00 -0.08 -0.14 3.43 0.00 -1.88 0.42 119.26 122.00 3h4v h ALA 135 Ca 0.15 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3h4v h ALA 135 Cb 0.26 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h4v h ALA 135 CO -0.01 -0.59 -0.64 1.98 0.00 0.00 0.00 179.25 179.99 3h4v h MET 136 N -0.18 0.69 -0.54 0.00 1.85 -1.83 -1.78 114.93 113.14 3h4v h MET 136 Ca 0.07 -0.55 -0.03 0.00 -0.61 0.00 0.00 59.70 58.58 3h4v h MET 136 Cb 0.27 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 3h4v h MET 136 CO -0.17 1.17 0.24 0.93 -0.40 0.00 0.00 176.91 178.67 3h4v h GLU 137 N 0.37 0.79 -0.05 0.39 4.39 -0.38 -2.58 114.58 117.52 3h4v h GLU 137 Ca -0.04 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 3h4v h GLU 137 Cb 1.28 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3h4v h GLU 137 CO 0.13 0.67 -0.58 1.79 -1.16 0.00 0.00 179.01 179.86 3h4v h THR 138 N 0.73 1.39 -0.37 1.13 1.35 -0.88 -2.89 112.91 113.36 3h4v h THR 138 Ca 0.18 -1.95 -0.13 0.00 -0.55 0.00 0.00 66.41 63.96 3h4v h THR 138 Cb 0.16 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3h4v h THR 138 CO -0.02 0.57 -0.28 0.00 -0.25 0.00 0.00 175.52 175.54 3h4v h ALA 139 N 1.27 0.54 0.06 6.62 0.00 -1.20 -1.36 119.26 125.19 3h4v h ALA 139 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h4v h ALA 139 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3h4v h ALA 139 CO 0.09 0.56 -0.03 1.15 0.00 0.00 0.00 179.25 181.02 3h4v h THR 140 N 0.65 1.09 -0.70 0.00 2.02 -1.43 0.14 112.91 114.67 3h4v h THR 140 Ca 0.07 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.79 3h4v h THR 140 Cb 0.85 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3h4v h THR 140 CO 0.07 0.12 0.45 0.00 0.37 0.00 0.00 175.52 176.54 3h4v h ALA 141 N 0.64 0.90 -0.07 6.16 0.00 -1.48 -0.91 119.26 124.51 3h4v h ALA 141 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3h4v h ALA 141 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h4v h ALA 141 CO 0.01 0.27 -0.19 0.22 0.00 0.00 0.00 179.25 179.56 3h4v h ASP 142 N 0.91 0.29 0.01 0.00 3.58 -1.18 0.23 116.42 120.26 3h4v h ASP 142 Ca 0.27 -0.60 -0.12 0.00 0.42 0.00 0.00 57.03 57.00 3h4v h ASP 142 Cb -0.05 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 40.92 3h4v h ASP 142 CO -0.08 0.84 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.58 3h4v h LEU 143 N -0.24 0.40 -0.98 2.28 3.38 -0.95 -2.06 115.31 117.14 3h4v h LEU 143 Ca -0.00 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 57.10 3h4v h LEU 143 Cb 0.80 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3h4v h LEU 143 CO 0.04 1.13 -0.08 -0.26 0.09 0.00 0.00 178.44 179.37 3h4v h PHE 144 N -0.30 0.70 0.42 1.13 0.04 -1.28 -2.69 116.94 114.96 3h4v h PHE 144 Ca -0.06 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 3h4v h PHE 144 Cb 1.21 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3h4v h PHE 144 CO 0.17 0.71 -0.20 0.78 -0.60 0.00 0.00 178.31 179.17 3h4v h GLY 145 N 0.95 -0.59 1.19 -1.45 0.00 -0.62 -0.10 103.07 102.45 3h4v h GLY 145 Ca 0.11 0.22 -0.20 0.00 0.00 0.00 0.00 47.33 47.46 3h4v h GLY 145 CO 0.03 -0.21 -0.66 1.48 0.00 0.00 0.00 176.54 177.17 3h4v h SER 146 N -0.67 0.95 1.30 0.19 4.64 -1.26 0.30 113.55 119.00 3h4v h SER 146 Ca -0.06 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 3h4v h SER 146 Cb 0.49 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3h4v h SER 146 CO 0.09 1.36 -0.49 0.78 -0.87 0.00 0.00 176.83 177.71 3h4v h ASN 147 N 0.60 0.00 0.00 4.97 2.35 -1.56 -3.41 115.58 118.54 3h4v h ASN 147 Ca -0.02 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3h4v h ASN 147 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3h4v h ASN 147 CO 0.14 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 3h4v n ALA 148 N -2.01 2.54 -0.06 -0.83 0.00 -0.67 -4.47 120.51 115.01 3h4v n ALA 148 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 3h4v n ALA 148 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3h4v n ALA 148 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3h4v h ILE 149 N 0.00 1.31 0.22 0.00 1.08 -0.84 -2.00 117.51 117.28 3h4v h ILE 149 Ca 0.00 -1.70 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 3h4v h ILE 149 Cb 0.00 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 3h4v h ILE 149 CO 0.00 0.53 -0.11 0.00 -0.69 0.00 0.00 178.15 177.89 3h4v h ALA 150 N 0.60 -0.30 -0.84 1.87 0.00 -0.63 -2.12 119.26 117.83 3h4v h ALA 150 Ca -0.00 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.02 3h4v h ALA 150 Cb 1.09 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 3h4v h ALA 150 CO 0.10 -0.62 0.28 -1.35 0.00 0.00 0.00 179.25 177.66 3h4v h PRO 151 N -0.38 0.30 -0.70 0.00 0.11 -1.74 0.15 132.00 129.74 3h4v h PRO 151 Ca -0.03 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3h4v h PRO 151 Cb 0.29 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.29 3h4v h PRO 151 CO 0.05 0.20 0.42 -0.92 -0.21 0.00 0.00 178.00 177.53 3h4v h TYR 152 N 0.31 0.77 -0.11 0.65 3.20 -0.73 0.13 116.97 121.19 3h4v h TYR 152 Ca 0.51 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 62.17 3h4v h TYR 152 Cb 0.97 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 39.00 3h4v h TYR 152 CO -0.21 0.41 -0.85 0.74 -1.64 0.00 0.00 178.16 176.61 3h4v h PHE 153 N 0.79 1.03 -0.34 -3.82 0.04 -0.48 -2.06 116.94 112.11 3h4v h PHE 153 Ca 0.29 -0.48 0.02 0.00 2.80 0.00 0.00 57.97 60.60 3h4v h PHE 153 Cb 0.10 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3h4v h PHE 153 CO -0.06 1.31 0.19 -0.07 -0.60 0.00 0.00 178.31 179.09 3h4v h LEU 154 N 0.48 0.30 -1.02 1.54 3.38 -0.42 0.14 115.31 119.70 3h4v h LEU 154 Ca -0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h4v h LEU 154 Cb 1.48 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 3h4v h LEU 154 CO 0.17 0.22 0.47 0.40 0.09 0.00 0.00 178.44 179.79 3h4v h ILE 155 N 0.39 1.24 0.36 1.22 2.04 -0.68 -0.87 117.51 121.21 3h4v h ILE 155 Ca 0.13 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3h4v h ILE 155 Cb 0.01 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3h4v h ILE 155 CO -0.07 0.26 -0.17 0.50 0.00 0.00 0.00 178.15 178.67 3h4v h LYS 156 N 1.16 -0.47 -0.25 2.37 3.64 -0.94 -0.97 116.57 121.11 3h4v h LYS 156 Ca 0.30 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3h4v h LYS 156 Cb 0.00 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3h4v h LYS 156 CO -0.05 -0.28 0.05 0.00 -2.27 0.00 0.00 179.45 176.90 3h4v h ALA 157 N 0.08 0.25 -0.72 5.00 0.00 -0.82 -0.29 119.26 122.77 3h4v h ALA 157 Ca -0.05 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3h4v h ALA 157 Cb 0.41 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 3h4v h ALA 157 CO 0.08 -0.37 0.29 0.35 0.00 0.00 0.00 179.25 179.60 3h4v h PHE 158 N 0.15 0.49 0.12 0.00 3.04 -1.15 -1.98 116.94 117.60 3h4v h PHE 158 Ca 0.11 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 3h4v h PHE 158 Cb 0.11 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3h4v h PHE 158 CO -0.16 0.08 -0.06 0.00 -2.02 0.00 0.00 178.31 176.16 3h4v h ALA 159 N 1.51 -0.16 -0.99 2.41 0.00 -0.54 -2.60 119.26 118.90 3h4v h ALA 159 Ca 0.39 -0.25 0.29 0.00 0.00 0.00 0.00 54.91 55.33 3h4v h ALA 159 Cb 0.55 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 3h4v h ALA 159 CO -0.37 -0.25 0.54 0.45 0.00 0.00 0.00 179.25 179.62 3h4v h HIS 160 N -0.84 0.89 0.00 0.00 3.86 -1.01 -0.10 115.15 117.95 3h4v h HIS 160 Ca -0.02 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 3h4v h HIS 160 Cb 0.56 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3h4v h HIS 160 CO 0.11 -0.11 -0.63 0.00 0.86 0.00 0.00 177.93 178.15 3h4v h ARG 161 N 0.38 0.00 -0.31 2.45 2.47 -1.26 -0.12 114.38 118.00 3h4v h ARG 161 Ca 0.69 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 59.25 3h4v h ARG 161 Cb 1.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.80 3h4v h ARG 161 CO -0.57 0.63 -0.43 0.28 0.56 0.00 0.00 179.97 180.43 3h4v h VAL 162 N 0.00 1.28 -0.52 2.04 2.07 -1.07 -2.87 116.25 117.18 3h4v h VAL 162 Ca -0.01 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 3h4v h VAL 162 Cb 1.47 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 3h4v h VAL 162 CO 0.08 0.53 0.28 0.00 0.02 0.00 0.00 177.57 178.48 3h4v h ALA 163 N 0.70 1.51 0.00 1.67 0.00 -0.77 -2.04 119.26 120.34 3h4v h ALA 163 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h4v h ALA 163 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h4v h ALA 163 CO 0.10 0.41 -0.22 0.41 0.00 0.00 0.00 179.25 179.94 3h4v n GLY 164 N -1.27 -1.59 3.66 0.00 0.00 -0.08 -4.76 105.19 101.15 3h4v n GLY 164 Ca 0.04 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3h4v n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h4v s THR 165 N -3.11 4.63 0.18 2.61 2.01 -0.77 -4.99 115.64 116.20 3h4v s THR 165 Ca 0.09 1.96 -0.33 0.00 0.31 0.00 0.00 61.69 63.72 3h4v s THR 165 Cb 0.13 -4.26 -0.15 0.00 0.01 0.00 0.00 72.50 68.23 3h4v s THR 165 CO 0.64 -0.14 1.36 -2.65 -0.69 0.00 0.00 174.62 173.13 3h4v n PRO 166 N 6.14 1.67 -0.46 4.92 -0.02 -1.26 -4.76 135.00 141.23 3h4v n PRO 166 Ca 0.12 0.60 0.38 0.00 -2.02 0.00 0.00 63.50 62.58 3h4v n PRO 166 Cb 0.46 -2.23 0.66 0.00 -0.02 0.00 0.00 33.50 32.38 3h4v n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h4v h ALA 167 N 4.33 2.81 -0.17 3.55 0.00 -1.93 -0.28 119.26 127.57 3h4v h ALA 167 Ca -0.45 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3h4v h ALA 167 Cb 1.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3h4v h ALA 167 CO 0.77 -1.44 -0.21 1.57 0.00 0.00 0.00 179.25 179.94 3h4v h LYS 168 N 0.07 0.30 -0.21 0.00 2.10 -2.02 -2.59 116.57 114.21 3h4v h LYS 168 Ca 0.83 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 59.39 3h4v h LYS 168 Cb 2.67 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.97 3h4v h LYS 168 CO -0.41 0.50 0.00 0.72 -2.00 0.00 0.00 179.45 178.26 3h4v n HIS 169 N -4.19 0.27 -1.94 0.07 8.25 -0.12 -5.00 115.22 112.56 3h4v n HIS 169 Ca -0.01 -0.13 -0.33 0.00 -0.26 0.00 0.00 57.72 56.99 3h4v n HIS 169 Cb 0.34 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.48 3h4v n HIS 169 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3h4v s ARG 170 N -1.73 3.09 0.97 -0.41 0.52 -0.98 -4.98 118.95 115.43 3h4v s ARG 170 Ca 0.34 1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 3h4v s ARG 170 Cb 0.20 -1.99 0.17 0.00 0.52 0.00 0.00 34.95 33.85 3h4v s ARG 170 CO 0.29 -1.01 1.09 0.20 0.02 0.00 0.00 175.30 175.89 3h4v s GLY 171 N -2.58 1.59 0.00 -3.53 0.00 -1.26 -5.00 107.32 96.54 3h4v s GLY 171 Ca 0.66 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 45.23 3h4v s GLY 171 CO 0.38 0.35 0.77 -1.30 0.00 0.00 0.00 173.10 173.30 3h4v n THR 172 N -4.12 0.08 -3.03 0.90 -2.24 -1.26 -4.78 114.28 99.83 3h4v n THR 172 Ca 0.06 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3h4v n THR 172 Cb 0.56 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3h4v n THR 172 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h4v n ASN 173 N 0.40 0.16 -4.69 3.42 5.15 -1.26 -5.09 115.26 113.35 3h4v n ASN 173 Ca 0.05 -3.11 -0.42 0.00 -0.60 0.00 0.00 54.58 50.50 3h4v n ASN 173 Cb 0.20 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 3h4v n ASN 173 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3h4v s TYR 174 N -1.87 2.79 -0.03 1.20 2.02 -1.26 -4.73 117.35 115.47 3h4v s TYR 174 Ca 0.35 0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 57.79 3h4v s TYR 174 Cb 0.35 -3.69 0.02 0.00 -0.40 0.00 0.00 41.96 38.24 3h4v s TYR 174 CO -0.06 -2.58 0.08 0.45 -1.57 0.00 0.00 175.55 171.87 3h4v s SER 175 N 1.98 -0.04 -0.12 2.29 0.15 -0.33 -2.43 113.70 115.20 3h4v s SER 175 Ca 0.65 0.15 0.02 0.00 0.70 0.00 0.00 55.95 57.46 3h4v s SER 175 Cb -0.32 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 3h4v s SER 175 CO 0.27 -0.09 -0.17 -0.63 1.20 0.00 0.00 173.24 173.82 3h4v s ILE 176 N 0.63 1.65 -0.12 6.45 1.01 -0.06 -1.38 121.20 129.38 3h4v s ILE 176 Ca -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3h4v s ILE 176 Cb -0.07 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3h4v s ILE 176 CO -0.02 0.47 -0.18 -0.63 0.00 0.00 0.00 174.94 174.58 3h4v s ILE 177 N 1.01 2.56 -0.20 2.92 -1.09 0.88 -1.49 121.20 125.80 3h4v s ILE 177 Ca -0.05 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 3h4v s ILE 177 Cb -0.15 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.68 3h4v s ILE 177 CO -0.03 0.54 -0.03 0.20 -1.23 0.00 0.00 174.94 174.39 3h4v s ASN 178 N 0.42 4.54 -0.55 3.58 0.01 0.17 0.14 114.94 123.25 3h4v s ASN 178 Ca -0.13 -0.29 -0.26 0.00 -0.71 0.00 0.00 52.86 51.47 3h4v s ASN 178 Cb -0.17 -1.77 0.03 0.00 0.41 0.00 0.00 41.25 39.76 3h4v s ASN 178 CO 0.06 0.04 1.04 -0.04 -1.51 0.00 0.00 177.10 176.70 3h4v s MET 179 N 1.11 3.44 0.00 -0.60 -1.94 -0.67 -1.80 119.30 118.85 3h4v s MET 179 Ca 0.02 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 3h4v s MET 179 Cb -0.15 -4.02 0.00 0.00 2.01 0.00 0.00 34.83 32.68 3h4v s MET 179 CO 0.00 -1.53 0.00 1.33 -0.01 0.00 0.00 175.02 174.82 3h4v n VAL 180 N 6.43 0.00 -3.68 -6.03 0.24 -0.17 -4.91 118.33 110.22 3h4v n VAL 180 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.22 3h4v n VAL 180 Cb 0.48 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.72 3h4v n VAL 180 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h4v s ASP 181 N -1.00 0.19 0.53 -1.34 -1.08 -1.26 -4.18 116.67 108.53 3h4v s ASP 181 Ca 0.00 0.61 0.28 0.00 -0.52 0.00 0.00 52.55 52.92 3h4v s ASP 181 Cb 0.00 0.68 1.49 0.00 -1.46 0.00 0.00 42.92 43.63 3h4v s ASP 181 CO 0.00 -0.22 2.09 0.00 0.52 0.00 0.00 175.17 177.55 3h4v h ALA 182 N 8.06 1.29 -0.43 3.66 0.00 -1.30 -3.31 119.26 127.23 3h4v h ALA 182 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h4v h ALA 182 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3h4v h ALA 182 CO 0.18 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 3h4v n MET 183 N -3.64 2.47 0.15 0.00 2.81 -1.26 -4.56 117.12 113.09 3h4v n MET 183 Ca -0.02 -2.24 0.13 0.00 -1.81 0.00 0.00 57.70 53.76 3h4v n MET 183 Cb 0.22 -1.51 0.28 0.00 -0.71 0.00 0.00 33.22 31.50 3h4v n MET 183 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3h4v h THR 184 N 4.24 0.00 0.00 2.03 1.35 -1.96 -1.95 112.91 116.62 3h4v h THR 184 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3h4v h THR 184 Cb 0.94 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3h4v h THR 184 CO 0.00 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.05 3h4v h ASN 185 N 0.00 0.00 -2.78 5.36 4.21 -1.88 -3.25 115.58 117.24 3h4v h ASN 185 Ca 0.00 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.86 3h4v h ASN 185 Cb 0.86 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 37.66 3h4v h ASN 185 CO 0.00 0.00 -0.36 0.00 -1.29 0.00 0.00 177.43 175.78 3h4v n GLN 186 N -2.71 2.51 -1.60 0.81 6.02 -0.73 -5.10 117.38 116.58 3h4v n GLN 186 Ca -0.00 -4.57 -0.35 0.00 -0.01 0.00 0.00 57.00 52.07 3h4v n GLN 186 Cb 0.19 -2.32 0.08 0.00 1.02 0.00 0.00 30.24 29.20 3h4v n GLN 186 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3h4v s PRO 187 N -1.96 2.40 -0.17 -1.09 0.02 -1.23 -4.93 135.00 128.03 3h4v s PRO 187 Ca 0.32 1.78 -0.21 0.00 0.02 0.00 0.00 61.00 62.91 3h4v s PRO 187 Cb 0.03 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3h4v s PRO 187 CO -0.08 -1.64 0.64 -1.17 -0.33 0.00 0.00 177.00 174.42 3h4v s LEU 188 N -4.83 4.18 -0.19 -5.54 2.96 -1.26 -4.97 118.68 109.03 3h4v s LEU 188 Ca 0.75 0.90 -0.31 0.00 -0.22 0.00 0.00 54.13 55.26 3h4v s LEU 188 Cb -0.30 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.39 3h4v s LEU 188 CO 0.42 -0.23 2.13 -0.11 -1.32 0.00 0.00 176.35 177.24 3h4v n LEU 189 N 4.75 3.18 0.00 -0.68 7.94 -1.26 -2.10 117.00 128.83 3h4v n LEU 189 Ca -0.02 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 3h4v n LEU 189 Cb 0.50 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3h4v n LEU 189 CO 0.45 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 3h4v n GLY 190 N 5.56 0.80 2.18 -3.96 0.00 -1.26 -5.00 105.19 103.52 3h4v n GLY 190 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 3h4v n GLY 190 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h4v n TYR 191 N -2.10 2.97 0.15 1.61 4.02 -0.89 0.51 117.16 123.42 3h4v n TYR 191 Ca 0.00 -2.56 -0.13 0.00 -0.01 0.00 0.00 57.90 55.20 3h4v n TYR 191 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 39.34 38.51 3h4v n TYR 191 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3h4v h THR 192 N 1.78 0.45 -0.15 -0.72 2.02 -1.82 -0.78 112.91 113.70 3h4v h THR 192 Ca 0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.66 3h4v h THR 192 Cb 1.20 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3h4v h THR 192 CO 1.08 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 177.36 3h4v h ILE 193 N -0.50 0.89 -0.49 3.11 1.08 -1.91 0.80 117.51 120.48 3h4v h ILE 193 Ca 0.01 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 3h4v h ILE 193 Cb 0.49 0.85 -0.10 0.00 -3.07 0.00 0.00 36.82 34.99 3h4v h ILE 193 CO -0.09 0.01 -0.21 0.22 -0.69 0.00 0.00 178.15 177.39 3h4v h TYR 194 N 0.04 -0.51 -0.65 1.37 3.20 -1.82 0.18 116.97 118.77 3h4v h TYR 194 Ca 0.07 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3h4v h TYR 194 Cb 0.09 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3h4v h TYR 194 CO -0.16 -0.29 0.14 1.15 -1.64 0.00 0.00 178.16 177.36 3h4v h THR 195 N -0.10 1.25 -0.24 1.81 2.02 -0.63 -0.90 112.91 116.12 3h4v h THR 195 Ca 0.23 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 3h4v h THR 195 Cb 0.46 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3h4v h THR 195 CO -0.56 0.36 -0.24 0.24 0.37 0.00 0.00 175.52 175.70 3h4v h MET 196 N 0.98 0.59 -0.52 6.66 2.86 -0.42 -1.58 114.93 123.51 3h4v h MET 196 Ca 0.20 -0.31 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3h4v h MET 196 Cb 0.37 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3h4v h MET 196 CO 0.00 0.90 0.20 0.00 1.06 0.00 0.00 176.91 179.07 3h4v h ALA 197 N 0.68 0.64 -0.55 6.32 0.00 -0.23 0.50 119.26 126.61 3h4v h ALA 197 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h4v h ALA 197 Cb 0.79 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3h4v h ALA 197 CO 0.06 -0.19 0.36 0.87 0.00 0.00 0.00 179.25 180.35 3h4v h LYS 198 N 0.38 0.59 -0.23 0.00 1.79 -1.17 0.14 116.57 118.06 3h4v h LYS 198 Ca 0.25 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.60 3h4v h LYS 198 Cb 0.25 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3h4v h LYS 198 CO -0.24 0.39 -0.19 0.78 -1.08 0.00 0.00 179.45 179.11 3h4v h GLY 199 N 0.60 0.59 -0.32 3.86 0.00 -0.05 0.33 103.07 108.08 3h4v h GLY 199 Ca 0.22 -0.58 0.14 0.00 0.00 0.00 0.00 47.33 47.12 3h4v h GLY 199 CO -0.06 0.52 -0.10 0.00 0.00 0.00 0.00 176.54 176.90 3h4v h ALA 200 N 0.68 0.56 -0.56 3.60 0.00 -0.73 -2.17 119.26 120.64 3h4v h ALA 200 Ca 0.04 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3h4v h ALA 200 Cb 0.73 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3h4v h ALA 200 CO 0.05 -0.42 0.22 1.25 0.00 0.00 0.00 179.25 180.35 3h4v h LEU 201 N 0.04 0.73 -0.86 0.00 5.85 -0.17 -1.66 115.31 119.23 3h4v h LEU 201 Ca 0.35 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3h4v h LEU 201 Cb 0.56 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3h4v h LEU 201 CO -0.67 0.66 0.04 -0.33 -0.34 0.00 0.00 178.44 177.80 3h4v h GLU 202 N 0.79 0.89 -0.83 1.25 5.08 -0.44 -1.77 114.58 119.55 3h4v h GLU 202 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3h4v h GLU 202 Cb 0.16 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3h4v h GLU 202 CO -0.02 0.86 0.48 0.78 -1.00 0.00 0.00 179.01 180.10 3h4v h GLY 203 N 1.00 1.22 0.84 -3.84 0.00 -0.86 -2.90 103.07 98.52 3h4v h GLY 203 Ca 0.16 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 47.00 3h4v h GLY 203 CO 0.02 0.51 0.45 -2.00 0.00 0.00 0.00 176.54 175.52 3h4v h LEU 204 N 1.15 0.73 -0.11 3.11 5.85 -0.97 0.64 115.31 125.71 3h4v h LEU 204 Ca 0.29 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3h4v h LEU 204 Cb -0.00 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3h4v h LEU 204 CO -0.05 0.50 -0.17 0.74 -0.34 0.00 0.00 178.44 179.12 3h4v h THR 205 N 0.87 0.56 0.41 1.05 2.02 -1.22 0.30 112.91 116.90 3h4v h THR 205 Ca 0.30 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 3h4v h THR 205 Cb 0.05 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3h4v h THR 205 CO -0.12 0.00 -0.20 0.03 0.37 0.00 0.00 175.52 175.60 3h4v h ARG 206 N -0.23 -0.53 -0.62 6.66 3.08 -1.28 -1.42 114.38 120.05 3h4v h ARG 206 Ca 0.09 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3h4v h ARG 206 Cb 0.35 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3h4v h ARG 206 CO -0.24 -0.23 0.34 1.03 -1.07 0.00 0.00 179.97 179.80 3h4v h SER 207 N -0.82 0.78 -0.03 7.04 0.87 -0.85 -1.75 113.55 118.78 3h4v h SER 207 Ca -0.06 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 3h4v h SER 207 Cb 0.54 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3h4v h SER 207 CO 0.09 0.65 -0.31 0.00 -0.53 0.00 0.00 176.83 176.74 3h4v h ALA 208 N 1.16 1.03 -0.51 6.23 0.00 -0.45 -1.59 119.26 125.12 3h4v h ALA 208 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3h4v h ALA 208 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h4v h ALA 208 CO -0.03 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.90 3h4v h ALA 209 N 1.25 1.22 0.06 0.00 0.00 -0.86 -0.24 119.26 120.69 3h4v h ALA 209 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h4v h ALA 209 Cb 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h4v h ALA 209 CO 0.06 0.53 -0.03 1.25 0.00 0.00 0.00 179.25 181.06 3h4v h LEU 210 N 0.76 -0.07 -0.72 0.00 5.85 -1.01 -2.79 115.31 117.33 3h4v h LEU 210 Ca 0.17 -0.51 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 3h4v h LEU 210 Cb 0.32 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3h4v h LEU 210 CO 0.00 0.50 -0.61 -0.08 -0.34 0.00 0.00 178.44 177.91 3h4v h GLU 211 N -0.67 0.10 -0.01 1.25 4.81 -1.15 -3.07 114.58 115.84 3h4v h GLU 211 Ca -0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3h4v h GLU 211 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3h4v h GLU 211 CO 0.01 0.68 -0.20 1.28 -0.73 0.00 0.00 179.01 180.05 3h4v n LEU 212 N -3.84 1.28 -0.32 1.64 4.77 -0.11 -4.30 117.00 116.11 3h4v n LEU 212 Ca -0.02 -0.38 0.11 0.00 -0.03 0.00 0.00 56.01 55.69 3h4v n LEU 212 Cb 0.61 -0.08 0.28 0.00 -2.33 0.00 0.00 43.42 41.90 3h4v n LEU 212 CO 0.43 0.23 1.14 0.00 -1.33 0.00 0.00 177.39 177.86 3h4v h ALA 213 N 3.89 1.48 0.00 -1.18 0.00 -1.39 -1.14 119.26 120.93 3h4v h ALA 213 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3h4v h ALA 213 Cb 0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h4v h ALA 213 CO 0.00 -0.09 -0.08 -1.35 0.00 0.00 0.00 179.25 177.73 3h4v h PRO 214 N 0.67 0.00 -0.01 0.00 0.11 -1.81 0.75 132.00 131.71 3h4v h PRO 214 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3h4v h PRO 214 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3h4v h PRO 214 CO -0.39 0.08 -0.11 1.28 -0.21 0.00 0.00 178.00 178.65 3h4v n LEU 215 N -3.53 1.19 -1.76 2.35 4.77 -0.49 -4.92 117.00 114.60 3h4v n LEU 215 Ca -0.02 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 3h4v n LEU 215 Cb 0.21 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3h4v n LEU 215 CO 0.28 0.21 -0.18 0.00 -1.33 0.00 0.00 177.39 176.36 3h4v n GLN 216 N -0.27 -1.34 -3.04 3.23 6.02 0.26 -4.99 117.38 117.24 3h4v n GLN 216 Ca 0.16 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 57.47 3h4v n GLN 216 Cb 0.34 -5.08 -0.06 0.00 1.02 0.00 0.00 30.24 26.46 3h4v n GLN 216 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3h4v s ILE 217 N -2.77 4.85 0.15 5.09 1.01 -0.85 -4.38 121.20 124.31 3h4v s ILE 217 Ca 0.01 0.88 -0.19 0.00 0.00 0.00 0.00 60.65 61.35 3h4v s ILE 217 Cb -0.01 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3h4v s ILE 217 CO 0.02 -0.26 0.65 -0.13 0.00 0.00 0.00 174.94 175.21 3h4v s ARG 218 N 2.81 4.23 -0.17 2.79 0.52 -1.02 -3.99 118.95 124.11 3h4v s ARG 218 Ca 0.28 0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 56.25 3h4v s ARG 218 Cb -0.14 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.33 3h4v s ARG 218 CO 0.14 0.51 0.05 0.08 0.02 0.00 0.00 175.30 176.09 3h4v s VAL 219 N -1.34 0.33 0.23 3.52 1.01 -1.26 -0.89 120.40 122.00 3h4v s VAL 219 Ca 0.37 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3h4v s VAL 219 Cb -0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3h4v s VAL 219 CO 0.21 -0.16 -0.02 0.20 0.00 0.00 0.00 175.10 175.33 3h4v s ASN 220 N 1.95 1.90 0.19 3.32 0.01 -0.56 -0.49 114.94 121.28 3h4v s ASN 220 Ca 0.01 -1.19 0.09 0.00 -0.71 0.00 0.00 52.86 51.05 3h4v s ASN 220 Cb -0.16 -0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 3h4v s ASN 220 CO -0.08 -0.48 -0.08 -0.83 -1.51 0.00 0.00 177.10 174.12 3h4v s GLY 221 N -3.30 1.72 -0.08 0.66 0.00 0.16 -0.66 107.32 105.83 3h4v s GLY 221 Ca 0.27 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 3h4v s GLY 221 CO 0.08 -1.52 -0.05 0.14 0.00 0.00 0.00 173.10 171.75 3h4v s VAL 222 N -1.79 0.69 -0.33 1.40 1.01 -0.74 -1.67 120.40 118.97 3h4v s VAL 222 Ca 0.26 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3h4v s VAL 222 Cb -0.08 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.64 3h4v s VAL 222 CO 0.16 0.29 0.04 -0.83 0.00 0.00 0.00 175.10 174.76 3h4v s GLY 223 N 1.47 1.88 0.70 4.51 0.00 0.04 -1.00 107.32 114.93 3h4v s GLY 223 Ca -0.01 -2.35 -0.16 0.00 0.00 0.00 0.00 44.72 42.20 3h4v s GLY 223 CO -0.04 0.88 1.19 -4.14 0.00 0.00 0.00 173.10 170.99 3h4v s PRO 224 N 0.99 2.37 0.00 2.90 0.02 -1.26 -0.09 135.00 139.93 3h4v s PRO 224 Ca 0.06 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3h4v s PRO 224 Cb -0.20 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3h4v s PRO 224 CO -0.07 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 3h4v n GLY 225 N 0.29 0.64 3.26 0.52 0.00 -0.81 -1.39 105.19 107.70 3h4v n GLY 225 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3h4v n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h4v s LEU 226 N 0.00 2.89 -0.02 0.99 1.43 -1.26 -4.89 118.68 117.82 3h4v s LEU 226 Ca 0.00 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3h4v s LEU 226 Cb 0.00 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3h4v s LEU 226 CO 0.00 -0.05 -0.02 -0.44 0.23 0.00 0.00 176.35 176.07 3h4v s SER 227 N 1.43 0.48 -1.29 2.29 0.01 -1.26 -0.41 113.70 114.94 3h4v s SER 227 Ca 0.05 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 57.00 3h4v s SER 227 Cb -0.15 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 65.94 3h4v s SER 227 CO -0.05 -0.03 0.54 1.33 0.41 0.00 0.00 173.24 175.44 3h4v n VAL 228 N 3.62 -2.66 -1.70 3.43 0.24 0.10 -4.76 118.33 116.60 3h4v n VAL 228 Ca -0.21 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.06 3h4v n VAL 228 Cb 0.54 -2.22 -0.03 0.00 -1.47 0.00 0.00 33.84 30.66 3h4v n VAL 228 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h4v s LEU 229 N -7.35 4.40 0.25 1.34 2.96 -1.26 -4.93 118.68 114.09 3h4v s LEU 229 Ca 0.37 2.76 -0.30 0.00 -0.22 0.00 0.00 54.13 56.74 3h4v s LEU 229 Cb -0.20 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.83 3h4v s LEU 229 CO 0.97 -1.01 1.45 -0.69 -1.32 0.00 0.00 176.35 175.74 3h4v s VAL 230 N 2.89 2.62 -0.31 1.68 1.01 -1.26 -4.91 120.40 122.12 3h4v s VAL 230 Ca 0.82 0.53 0.08 0.00 0.00 0.00 0.00 61.98 63.40 3h4v s VAL 230 Cb -0.46 -3.34 0.49 0.00 0.00 0.00 0.00 36.38 33.08 3h4v s VAL 230 CO 0.37 0.08 1.46 -0.90 0.00 0.00 0.00 175.10 176.11 3h4v n ASP 231 N 2.30 3.05 -2.97 3.32 5.68 -1.26 -4.84 116.55 121.83 3h4v n ASP 231 Ca 0.07 -3.80 -0.32 0.00 -0.50 0.00 0.00 54.79 50.24 3h4v n ASP 231 Cb 0.40 -0.62 -0.06 0.00 -1.14 0.00 0.00 41.12 39.70 3h4v n ASP 231 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h4v n ASP 232 N -1.06 7.55 -3.68 -1.12 5.75 -1.26 -4.87 116.55 117.85 3h4v n ASP 232 Ca 0.36 -2.78 -0.06 0.00 -0.01 0.00 0.00 54.79 52.31 3h4v n ASP 232 Cb 0.99 -1.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 3h4v n ASP 232 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h4v s MET 233 N 0.58 1.58 0.22 0.11 0.23 -1.26 -5.12 119.30 115.63 3h4v s MET 233 Ca 0.64 -0.90 -0.32 0.00 -1.03 0.00 0.00 55.69 54.08 3h4v s MET 233 Cb 0.24 0.52 -0.13 0.00 -1.53 0.00 0.00 34.83 33.93 3h4v s MET 233 CO -0.08 -0.73 1.60 -2.30 -2.03 0.00 0.00 175.02 171.49 3h4v n PRO 234 N -0.49 2.47 -0.35 3.16 -0.02 -1.26 -4.74 135.00 133.77 3h4v n PRO 234 Ca -0.05 0.89 0.09 0.00 -2.02 0.00 0.00 63.50 62.40 3h4v n PRO 234 Cb 0.60 -2.66 0.26 0.00 -0.02 0.00 0.00 33.50 31.67 3h4v n PRO 234 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h4v h PRO 235 N 5.64 0.85 -0.63 0.52 0.11 -1.97 0.29 132.00 136.82 3h4v h PRO 235 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h4v h PRO 235 Cb 1.23 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3h4v h PRO 235 CO 0.87 0.57 0.31 0.00 -0.21 0.00 0.00 178.00 179.53 3h4v h ALA 236 N 1.57 1.36 0.31 -0.75 0.00 -1.97 1.82 119.26 121.61 3h4v h ALA 236 Ca 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3h4v h ALA 236 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h4v h ALA 236 CO -0.31 0.50 -0.15 0.28 0.00 0.00 0.00 179.25 179.57 3h4v h VAL 237 N 0.88 0.56 -0.85 0.00 2.07 -1.04 -0.65 116.25 117.22 3h4v h VAL 237 Ca 0.22 -0.76 0.21 0.00 0.82 0.00 0.00 66.70 67.19 3h4v h VAL 237 Cb 0.08 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.60 3h4v h VAL 237 CO -0.03 0.12 0.31 -0.25 0.02 0.00 0.00 177.57 177.74 3h4v h TRP 238 N -0.91 0.50 -0.54 1.57 7.01 -0.38 -0.69 115.95 122.50 3h4v h TRP 238 Ca -0.04 0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 3h4v h TRP 238 Cb 0.52 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 3h4v h TRP 238 CO 0.04 -0.08 -0.11 1.49 -2.79 0.00 0.00 178.44 176.99 3h4v h GLU 239 N 0.33 1.01 -0.13 2.65 4.22 0.28 -2.86 114.58 120.08 3h4v h GLU 239 Ca 0.52 -0.37 -0.15 0.00 0.08 0.00 0.00 59.36 59.44 3h4v h GLU 239 Cb 0.97 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3h4v h GLU 239 CO -0.55 1.05 -0.56 0.78 -2.18 0.00 0.00 179.01 177.56 3h4v h GLY 240 N 0.94 0.43 0.45 1.92 0.00 0.12 -2.01 103.07 104.93 3h4v h GLY 240 Ca 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3h4v h GLY 240 CO 0.05 0.46 -0.27 0.45 0.00 0.00 0.00 176.54 177.23 3h4v h HIS 241 N 0.30 -0.71 -0.71 5.60 3.86 -1.09 -3.11 115.15 119.30 3h4v h HIS 241 Ca 0.00 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 3h4v h HIS 241 Cb 1.08 0.25 -0.13 0.00 1.06 0.00 0.00 27.41 29.67 3h4v h HIS 241 CO 0.03 -0.40 -0.21 0.54 0.86 0.00 0.00 177.93 178.75 3h4v n ARG 242 N -3.99 -0.10 0.30 2.45 1.74 -1.09 -2.51 116.66 113.47 3h4v n ARG 242 Ca -0.08 1.11 0.20 0.00 -0.77 0.00 0.00 57.85 58.31 3h4v n ARG 242 Cb 0.28 -1.65 0.99 0.00 -1.02 0.00 0.00 32.46 31.05 3h4v n ARG 242 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3h4v h SER 243 N 0.00 0.00 0.16 0.55 4.64 -1.28 -2.25 113.55 115.37 3h4v h SER 243 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3h4v h SER 243 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3h4v h SER 243 CO -0.73 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 175.51 3h4v n LYS 244 N -2.97 0.90 -2.53 4.77 4.76 -1.04 -4.65 118.16 117.39 3h4v n LYS 244 Ca -0.02 -0.11 -0.43 0.00 -2.87 0.00 0.00 58.31 54.88 3h4v n LYS 244 Cb 0.14 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 3h4v n LYS 244 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h4v s VAL 245 N -2.18 4.36 0.25 -0.18 1.01 -0.88 -4.85 120.40 117.93 3h4v s VAL 245 Ca 0.41 1.58 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 3h4v s VAL 245 Cb 0.21 -4.25 0.22 0.00 0.00 0.00 0.00 36.38 32.57 3h4v s VAL 245 CO 0.40 -0.39 1.81 -0.65 0.00 0.00 0.00 175.10 176.27 3h4v h PRO 246 N 8.46 0.80 -5.93 2.72 0.11 -1.83 -2.32 132.00 134.01 3h4v h PRO 246 Ca -0.23 -0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.22 3h4v h PRO 246 Cb 1.08 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.90 3h4v h PRO 246 CO 1.02 0.53 0.46 -1.17 -0.21 0.00 0.00 178.00 178.62 3h4v s LEU 247 N -10.27 4.12 0.00 2.35 2.96 -0.58 -3.80 118.68 113.46 3h4v s LEU 247 Ca -0.12 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3h4v s LEU 247 Cb 0.20 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3h4v s LEU 247 CO 0.78 -0.91 0.00 -1.22 -1.32 0.00 0.00 176.35 173.69 3h4v n TYR 248 N 6.79 0.00 -3.98 5.38 4.01 -1.26 -4.04 117.16 124.06 3h4v n TYR 248 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 3h4v n TYR 248 Cb 0.48 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 3h4v n TYR 248 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3h4v n GLN 249 N -2.00 -3.49 -3.61 -0.72 3.00 -0.87 -4.96 117.38 104.72 3h4v n GLN 249 Ca 0.00 0.42 -0.10 0.00 -0.01 0.00 0.00 57.00 57.31 3h4v n GLN 249 Cb 0.00 -4.71 -0.03 0.00 0.00 0.00 0.00 30.24 25.49 3h4v n GLN 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3h4v s ARG 250 N -6.59 1.32 0.69 -1.09 1.70 -1.02 -3.84 118.95 110.12 3h4v s ARG 250 Ca 0.17 -0.70 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 3h4v s ARG 250 Cb -0.09 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 3h4v s ARG 250 CO 0.89 -0.57 1.06 0.16 -1.08 0.00 0.00 175.30 175.76 3h4v s ASP 251 N -2.82 5.37 0.67 -2.89 -4.77 -1.26 -4.82 116.67 106.15 3h4v s ASP 251 Ca 0.05 1.66 -0.11 0.00 -3.30 0.00 0.00 52.55 50.85 3h4v s ASP 251 Cb -0.01 -2.50 -0.01 0.00 -1.09 0.00 0.00 42.92 39.31 3h4v s ASP 251 CO -0.07 -1.45 1.05 -0.94 0.70 0.00 0.00 175.17 174.45 3h4v s SER 252 N -3.63 5.62 0.86 2.11 1.04 0.45 -4.78 113.70 115.37 3h4v s SER 252 Ca 0.59 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 3h4v s SER 252 Cb -0.15 -2.49 0.11 0.00 0.10 0.00 0.00 66.02 63.59 3h4v s SER 252 CO 0.53 -1.28 1.18 -0.94 0.98 0.00 0.00 173.24 173.70 3h4v s SER 253 N -3.87 4.05 0.09 7.02 1.04 -1.26 -0.72 113.70 120.05 3h4v s SER 253 Ca 0.57 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.62 3h4v s SER 253 Cb -0.13 -1.27 -0.08 0.00 0.10 0.00 0.00 66.02 64.64 3h4v s SER 253 CO 0.54 -2.20 1.46 0.00 0.98 0.00 0.00 173.24 174.03 3h4v h ALA 254 N -1.26 0.38 -0.55 5.32 0.00 -1.96 -3.07 119.26 118.12 3h4v h ALA 254 Ca -0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3h4v h ALA 254 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3h4v h ALA 254 CO 0.62 0.23 0.31 0.00 0.00 0.00 0.00 179.25 180.41 3h4v h ALA 255 N 0.75 1.51 0.00 0.00 0.00 -1.94 0.12 119.26 119.70 3h4v h ALA 255 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h4v h ALA 255 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h4v h ALA 255 CO 0.03 0.41 -0.00 0.93 0.00 0.00 0.00 179.25 180.63 3h4v h GLU 256 N 0.76 0.00 0.00 0.00 5.08 -1.93 -0.42 114.58 118.08 3h4v h GLU 256 Ca 0.20 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.26 3h4v h GLU 256 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3h4v h GLU 256 CO -0.03 0.00 -1.65 0.28 -1.00 0.00 0.00 179.01 176.61 3h4v n VAL 257 N -3.48 1.53 0.29 3.13 0.31 -0.63 -4.52 118.33 114.95 3h4v n VAL 257 Ca -0.03 -0.13 0.14 0.00 -0.01 0.00 0.00 64.34 64.31 3h4v n VAL 257 Cb 0.08 -2.01 0.86 0.00 -0.91 0.00 0.00 33.84 31.87 3h4v n VAL 257 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3h4v h SER 258 N -1.00 0.00 0.37 4.52 4.64 -0.53 -2.41 113.55 119.14 3h4v h SER 258 Ca -0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 3h4v h SER 258 Cb 1.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3h4v h SER 258 CO -0.27 0.03 -0.39 0.44 -0.87 0.00 0.00 176.83 175.77 3h4v h ASP 259 N 0.00 0.03 -0.12 4.97 3.32 -1.31 -1.23 116.42 122.08 3h4v h ASP 259 Ca -0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3h4v h ASP 259 Cb 0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3h4v h ASP 259 CO 0.00 0.42 -0.28 0.58 -1.72 0.00 0.00 179.24 178.24 3h4v h VAL 260 N 0.03 1.38 -0.22 -1.35 2.07 -1.67 -1.69 116.25 114.79 3h4v h VAL 260 Ca -0.00 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 65.99 3h4v h VAL 260 Cb 0.70 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 3h4v h VAL 260 CO 0.05 0.46 -0.06 0.58 0.02 0.00 0.00 177.57 178.63 3h4v h VAL 261 N -0.01 0.77 -0.46 2.57 2.07 -1.39 -1.23 116.25 118.58 3h4v h VAL 261 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3h4v h VAL 261 Cb 0.88 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3h4v h VAL 261 CO 0.06 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.26 3h4v h ILE 262 N -0.00 0.91 0.00 4.57 5.03 -1.21 -2.12 117.51 124.70 3h4v h ILE 262 Ca 0.11 -0.14 0.02 0.00 -0.12 0.00 0.00 64.86 64.73 3h4v h ILE 262 Cb 0.17 0.47 -0.02 0.00 -3.03 0.00 0.00 36.82 34.40 3h4v h ILE 262 CO -0.23 0.07 -0.11 0.15 -0.68 0.00 0.00 178.15 177.36 3h4v h PHE 263 N 0.41 -0.27 -0.47 1.37 3.57 -0.88 -1.80 116.94 118.86 3h4v h PHE 263 Ca 0.21 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.86 3h4v h PHE 263 Cb 0.16 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3h4v h PHE 263 CO -0.13 -0.16 0.37 -0.07 -2.23 0.00 0.00 178.31 176.09 3h4v h LEU 264 N -0.18 0.00 0.00 0.59 3.38 -0.88 0.19 115.31 118.41 3h4v h LEU 264 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h4v h LEU 264 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h4v h LEU 264 CO -0.10 0.00 -0.51 0.00 0.09 0.00 0.00 178.44 177.91 3h4v s SER 266 N -4.46 6.16 0.47 0.00 1.04 0.68 -4.91 113.70 112.68 3h4v s SER 266 Ca 0.07 1.90 0.32 0.00 0.48 0.00 0.00 55.95 58.71 3h4v s SER 266 Cb 0.12 -2.55 1.64 0.00 0.10 0.00 0.00 66.02 65.33 3h4v s SER 266 CO 0.70 -0.91 1.97 0.77 0.98 0.00 0.00 173.24 176.76 3h4v h SER 267 N 1.21 0.00 0.64 7.02 4.64 -1.91 0.30 113.55 125.45 3h4v h SER 267 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h4v h SER 267 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h4v h SER 267 CO 0.58 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 176.64 3h4v h LYS 268 N 0.00 0.00 -0.53 4.77 1.57 -1.91 -3.06 116.57 117.41 3h4v h LYS 268 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3h4v h LYS 268 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3h4v h LYS 268 CO 0.00 0.01 0.02 0.00 -0.57 0.00 0.00 179.45 178.92 3h4v n ALA 269 N -2.10 3.81 1.54 3.86 0.00 0.11 -4.72 120.51 122.99 3h4v n ALA 269 Ca -0.01 -2.04 0.13 0.00 0.00 0.00 0.00 53.44 51.52 3h4v n ALA 269 Cb 0.23 -1.06 0.74 0.00 0.00 0.00 0.00 19.45 19.35 3h4v n ALA 269 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3h4v n LYS 270 N 0.35 0.74 0.00 0.00 2.85 -1.16 -1.95 118.16 118.99 3h4v n LYS 270 Ca 0.28 0.01 0.10 0.00 -1.05 0.00 0.00 58.31 57.65 3h4v n LYS 270 Cb 1.17 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 3h4v n LYS 270 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 3h4v n TYR 271 N -1.04 0.00 -3.40 5.58 9.36 -1.26 -4.93 117.16 121.47 3h4v n TYR 271 Ca 0.18 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 61.02 3h4v n TYR 271 Cb 0.10 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.74 3h4v n TYR 271 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3h4v s ILE 272 N -2.24 5.21 0.04 2.97 1.01 -0.82 -5.05 121.20 122.31 3h4v s ILE 272 Ca 0.17 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.25 3h4v s ILE 272 Cb 0.16 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.98 3h4v s ILE 272 CO 0.49 0.26 0.57 0.28 0.00 0.00 0.00 174.94 176.54 3h4v s THR 273 N 1.27 0.02 -0.34 2.92 -1.32 -1.26 -4.66 115.64 112.27 3h4v s THR 273 Ca 0.18 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3h4v s THR 273 Cb -0.15 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 3h4v s THR 273 CO 0.08 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3h4v n GLY 274 N 0.45 0.62 3.49 6.08 0.00 0.36 -4.95 105.19 111.24 3h4v n GLY 274 Ca -0.18 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3h4v n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h4v s THR 275 N -1.99 1.66 0.11 2.61 -4.23 -1.26 -4.68 115.64 107.87 3h4v s THR 275 Ca 0.00 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 58.54 3h4v s THR 275 Cb 0.00 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3h4v s THR 275 CO 0.00 -0.13 -0.22 0.00 -0.54 0.00 0.00 174.62 173.72 3h4v s VAL 277 N -1.07 1.35 0.23 0.00 1.01 -0.67 -4.92 120.40 116.33 3h4v s VAL 277 Ca 0.16 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3h4v s VAL 277 Cb -0.10 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3h4v s VAL 277 CO 0.08 0.36 1.10 -0.54 0.00 0.00 0.00 175.10 176.09 3h4v s LYS 278 N 1.56 4.62 -0.51 2.72 1.02 -1.26 -0.78 119.74 127.12 3h4v s LYS 278 Ca 0.04 1.76 0.03 0.00 0.02 0.00 0.00 55.97 57.83 3h4v s LYS 278 Cb -0.13 -3.23 0.14 0.00 -0.52 0.00 0.00 37.83 34.09 3h4v s LYS 278 CO -0.09 0.15 0.29 0.08 -0.92 0.00 0.00 175.35 174.86 3h4v s VAL 279 N -0.71 2.00 0.00 3.17 1.01 0.87 -4.87 120.40 121.86 3h4v s VAL 279 Ca 0.47 -3.12 0.00 0.00 0.00 0.00 0.00 61.98 59.33 3h4v s VAL 279 Cb -0.31 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3h4v s VAL 279 CO 0.38 -0.90 0.22 -0.90 0.00 0.00 0.00 175.10 173.89 3h4v n ASP 280 N 3.09 0.00 -2.17 3.32 5.75 -1.26 -1.93 116.55 123.34 3h4v n ASP 280 Ca 0.11 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.69 3h4v n ASP 280 Cb 0.35 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 3h4v n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h4v n GLY 281 N 0.00 -0.24 2.40 6.12 0.00 -1.26 -1.24 105.19 110.97 3h4v n GLY 281 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3h4v n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4v n GLY 282 N -0.98 0.32 0.33 -0.02 0.00 -1.26 -1.53 105.19 102.05 3h4v n GLY 282 Ca -0.23 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3h4v n GLY 282 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h4v h TYR 283 N 0.00 0.90 0.00 1.61 3.20 -1.50 -1.26 116.97 119.91 3h4v h TYR 283 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3h4v h TYR 283 Cb 0.41 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3h4v h TYR 283 CO 0.26 0.19 0.00 0.66 -1.64 0.00 0.00 178.16 177.63 3h4v h SER 284 N 0.67 0.00 0.45 -2.11 4.64 -1.88 -1.72 113.55 113.61 3h4v h SER 284 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3h4v h SER 284 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3h4v h SER 284 CO -0.39 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.75 3h4v n LEU 285 N -2.83 0.00 -4.94 5.97 4.77 -0.48 -4.89 117.00 114.60 3h4v n LEU 285 Ca -0.01 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.06 3h4v n LEU 285 Cb 0.14 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3h4v n LEU 285 CO 0.20 -0.10 0.35 0.42 -1.33 0.00 0.00 177.39 176.92 3h4v s THR 286 N -2.66 3.98 0.07 -5.08 -4.23 -0.65 -5.11 115.64 101.97 3h4v s THR 286 Ca 0.18 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.31 3h4v s THR 286 Cb 0.14 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 3h4v s THR 286 CO 0.33 -0.40 0.04 0.00 -0.54 0.00 0.00 174.62 174.05 3h4v s ARG 287 N -4.66 0.70 0.00 3.99 1.70 -1.26 -5.12 118.95 114.29 3h4v s ARG 287 Ca 0.49 -1.17 0.21 0.00 -0.47 0.00 0.00 55.73 54.80 3h4v s ARG 287 Cb -0.10 0.25 1.25 0.00 -0.57 0.00 0.00 34.95 35.78 3h4v s ARG 287 CO 0.40 -0.16 1.63 0.00 -1.08 0.00 0.00 175.30 176.09