#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s LEU 3 N 0.00 3.62 -0.07 0.00 2.96 -1.26 -1.50 118.68 122.42 3ab4 s LEU 3 Ca 0.00 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3ab4 s LEU 3 Cb 0.00 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.87 3ab4 s LEU 3 CO 0.00 0.29 0.08 0.54 -1.32 0.00 0.00 176.35 175.94 3ab4 s VAL 4 N -0.37 -0.12 -0.06 1.68 0.11 -0.74 -1.42 120.40 119.47 3ab4 s VAL 4 Ca 0.08 0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.30 3ab4 s VAL 4 Cb -0.12 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 3ab4 s VAL 4 CO 0.02 0.10 0.39 -0.69 -3.33 0.00 0.00 175.10 171.60 3ab4 s VAL 5 N 2.18 5.13 -0.12 2.04 1.01 -0.45 -2.42 120.40 127.77 3ab4 s VAL 5 Ca 0.04 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.82 3ab4 s VAL 5 Cb -0.13 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3ab4 s VAL 5 CO -0.04 0.48 -0.12 -1.10 0.00 0.00 0.00 175.10 174.32 3ab4 s GLN 6 N -0.37 1.97 -0.23 2.72 -0.21 -0.09 0.39 119.66 123.83 3ab4 s GLN 6 Ca 0.23 -0.44 -0.08 0.00 0.02 0.00 0.00 55.36 55.08 3ab4 s GLN 6 Cb -0.15 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 3ab4 s GLN 6 CO 0.11 -0.19 0.09 0.21 -2.12 0.00 0.00 175.29 173.38 3ab4 s LYS 7 N 1.39 3.80 -0.25 2.91 2.36 0.55 -0.47 119.74 130.04 3ab4 s LYS 7 Ca 0.01 -0.41 -0.08 0.00 -2.55 0.00 0.00 55.97 52.94 3ab4 s LYS 7 Cb -0.13 -3.34 -0.03 0.00 -1.05 0.00 0.00 37.83 33.27 3ab4 s LYS 7 CO -0.07 -0.04 0.10 0.71 1.55 0.00 0.00 175.35 177.60 3ab4 s TYR 8 N 1.23 3.13 1.14 4.03 2.02 0.16 -0.05 117.35 129.01 3ab4 s TYR 8 Ca 0.05 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.34 3ab4 s TYR 8 Cb -0.14 -2.26 0.26 0.00 -0.40 0.00 0.00 41.96 39.42 3ab4 s TYR 8 CO 0.04 -0.26 1.10 0.20 -1.57 0.00 0.00 175.55 175.06 3ab4 s GLY 9 N 1.52 1.57 0.32 0.71 0.00 -0.14 -1.79 107.32 109.51 3ab4 s GLY 9 Ca 0.06 -0.76 0.13 0.00 0.00 0.00 0.00 44.72 44.15 3ab4 s GLY 9 CO 0.05 0.04 1.69 -1.33 0.00 0.00 0.00 173.10 173.55 3ab4 h GLY 10 N -2.38 0.00 1.77 0.20 0.00 -1.83 -2.69 103.07 98.14 3ab4 h GLY 10 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 3ab4 h GLY 10 CO 0.42 0.00 -0.25 1.48 0.00 0.00 0.00 176.54 178.19 3ab4 h SER 11 N 0.00 0.27 1.02 0.19 4.64 -1.87 0.44 113.55 118.25 3ab4 h SER 11 Ca -0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3ab4 h SER 11 Cb 0.95 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3ab4 h SER 11 CO 0.07 0.53 0.00 0.28 -0.87 0.00 0.00 176.83 176.84 3ab4 h SER 12 N 0.25 0.00 -0.09 4.97 0.02 -1.78 -3.28 113.55 113.64 3ab4 h SER 12 Ca 0.04 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3ab4 h SER 12 Cb 0.58 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.91 3ab4 h SER 12 CO 0.04 0.00 -0.78 0.18 -1.14 0.00 0.00 176.83 175.13 3ab4 n LEU 13 N -2.32 2.13 0.06 5.07 4.77 -1.10 -4.33 117.00 121.28 3ab4 n LEU 13 Ca 0.03 -3.16 0.11 0.00 -0.03 0.00 0.00 56.01 52.96 3ab4 n LEU 13 Cb 0.31 -0.24 0.45 0.00 -2.33 0.00 0.00 43.42 41.60 3ab4 n LEU 13 CO 0.24 1.08 0.84 -1.84 -1.33 0.00 0.00 177.39 176.38 3ab4 n GLU 14 N -0.41 0.10 -3.83 3.23 0.28 -1.08 -4.14 120.64 114.79 3ab4 n GLU 14 Ca 0.15 0.24 -0.09 0.00 -0.16 0.00 0.00 57.16 57.30 3ab4 n GLU 14 Cb 0.90 -1.66 -0.04 0.00 1.43 0.00 0.00 31.44 32.06 3ab4 n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3ab4 s SER 15 N -3.64 -0.18 0.19 -1.84 1.04 -1.26 -4.74 113.70 103.27 3ab4 s SER 15 Ca 0.08 -0.63 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 3ab4 s SER 15 Cb 0.12 0.56 0.18 0.00 0.10 0.00 0.00 66.02 66.98 3ab4 s SER 15 CO 0.42 -1.06 1.67 0.00 0.98 0.00 0.00 173.24 175.25 3ab4 h ALA 16 N 2.26 0.42 -0.32 5.32 0.00 -1.99 0.49 119.26 125.43 3ab4 h ALA 16 Ca -0.28 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 16 Cb 1.25 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 3ab4 h ALA 16 CO 0.38 -0.41 -0.21 1.49 0.00 0.00 0.00 179.25 180.49 3ab4 h GLU 17 N 0.06 -0.17 -0.26 0.00 4.81 -1.99 -0.32 114.58 116.71 3ab4 h GLU 17 Ca 0.25 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3ab4 h GLU 17 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3ab4 h GLU 17 CO -0.47 -0.11 -0.21 0.00 -0.73 0.00 0.00 179.01 177.49 3ab4 h ARG 18 N -0.18 0.47 -0.07 1.92 2.47 -1.60 -1.09 114.38 116.30 3ab4 h ARG 18 Ca 0.16 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3ab4 h ARG 18 Cb 0.43 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3ab4 h ARG 18 CO -0.43 0.66 0.04 0.82 0.56 0.00 0.00 179.97 181.62 3ab4 h ILE 19 N 0.43 1.10 -0.68 2.04 2.04 -0.41 0.82 117.51 122.84 3ab4 h ILE 19 Ca 0.07 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3ab4 h ILE 19 Cb 0.60 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3ab4 h ILE 19 CO 0.04 0.08 0.44 0.03 0.00 0.00 0.00 178.15 178.74 3ab4 h ARG 20 N 0.01 0.86 -0.23 2.37 3.08 -0.88 -0.14 114.38 119.45 3ab4 h ARG 20 Ca 0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3ab4 h ARG 20 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3ab4 h ARG 20 CO -0.00 0.57 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.38 3ab4 h ASN 21 N 0.88 0.35 -0.24 7.04 -0.73 -1.02 -1.73 115.58 120.13 3ab4 h ASN 21 Ca 0.26 -0.08 -0.11 0.00 1.87 0.00 0.00 56.30 58.25 3ab4 h ASN 21 Cb -0.05 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.44 3ab4 h ASN 21 CO -0.08 0.50 -0.27 0.58 -0.37 0.00 0.00 177.43 177.79 3ab4 h VAL 22 N 0.34 1.32 -0.65 2.57 2.07 -0.22 -3.07 116.25 118.61 3ab4 h VAL 22 Ca 0.07 -1.45 0.11 0.00 0.82 0.00 0.00 66.70 66.25 3ab4 h VAL 22 Cb 0.41 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 3ab4 h VAL 22 CO 0.02 0.45 0.22 0.00 0.02 0.00 0.00 177.57 178.29 3ab4 h ALA 23 N 0.66 0.85 -0.91 1.67 0.00 -0.45 -0.15 119.26 120.94 3ab4 h ALA 23 Ca 0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ab4 h ALA 23 Cb 0.84 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3ab4 h ALA 23 CO 0.07 -0.22 0.60 1.49 0.00 0.00 0.00 179.25 181.18 3ab4 h GLU 24 N 0.38 1.17 -0.56 0.00 4.22 -1.39 0.13 114.58 118.53 3ab4 h GLU 24 Ca 0.34 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.63 3ab4 h GLU 24 Cb 0.47 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3ab4 h GLU 24 CO -0.36 0.77 0.04 -0.09 -2.18 0.00 0.00 179.01 177.20 3ab4 h ARG 25 N 1.20 0.92 0.45 1.92 2.43 -1.20 0.40 114.38 120.50 3ab4 h ARG 25 Ca 0.34 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3ab4 h ARG 25 Cb -0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3ab4 h ARG 25 CO -0.09 0.89 -0.22 0.82 -1.51 0.00 0.00 179.97 179.87 3ab4 h ILE 26 N 0.86 0.51 -0.33 1.20 2.04 -0.57 -1.11 117.51 120.12 3ab4 h ILE 26 Ca 0.17 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3ab4 h ILE 26 Cb 0.45 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ab4 h ILE 26 CO 0.02 0.06 0.14 0.58 0.00 0.00 0.00 178.15 178.94 3ab4 h VAL 27 N -0.83 1.13 -0.42 1.67 2.07 -0.68 -1.60 116.25 117.59 3ab4 h VAL 27 Ca -0.06 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 3ab4 h VAL 27 Cb 0.56 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3ab4 h VAL 27 CO 0.10 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.69 3ab4 h ALA 28 N 1.69 0.95 -0.20 1.67 0.00 -0.12 -2.13 119.26 121.13 3ab4 h ALA 28 Ca 0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ab4 h ALA 28 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ab4 h ALA 28 CO -0.01 0.61 -0.09 1.15 0.00 0.00 0.00 179.25 180.91 3ab4 h THR 29 N 0.69 1.18 0.08 0.00 2.02 -0.23 -2.31 112.91 114.34 3ab4 h THR 29 Ca 0.11 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 3ab4 h THR 29 Cb 0.64 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3ab4 h THR 29 CO 0.04 0.24 -0.04 0.50 0.37 0.00 0.00 175.52 176.64 3ab4 h LYS 30 N 0.30 -0.11 -0.62 6.66 3.64 -1.29 -3.17 116.57 121.98 3ab4 h LYS 30 Ca 0.06 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.63 3ab4 h LYS 30 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ab4 h LYS 30 CO 0.02 0.44 0.58 0.87 -2.27 0.00 0.00 179.45 179.09 3ab4 h LYS 31 N -0.80 0.00 -0.11 1.90 1.57 -1.29 0.51 116.57 118.35 3ab4 h LYS 31 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ab4 h LYS 31 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3ab4 h LYS 31 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3ab4 n ALA 32 N -2.44 2.28 -0.07 3.86 0.00 -0.88 -4.81 120.51 118.46 3ab4 n ALA 32 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ab4 n ALA 32 Cb 0.82 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3ab4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 33 N 0.27 0.76 3.87 0.00 0.00 0.17 -5.08 105.19 105.18 3ab4 n GLY 33 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ab4 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ab4 s ASN 34 N -2.49 6.11 0.00 1.61 0.01 -0.88 -4.71 114.94 114.60 3ab4 s ASN 34 Ca 0.00 0.19 -0.21 0.00 -0.71 0.00 0.00 52.86 52.13 3ab4 s ASN 34 Cb 0.00 -1.82 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 3ab4 s ASN 34 CO 0.00 0.18 0.61 -1.81 -1.51 0.00 0.00 177.10 174.57 3ab4 s ASP 35 N -2.43 7.00 -0.07 -1.22 -0.00 -0.57 -4.29 116.67 115.09 3ab4 s ASP 35 Ca 0.33 1.19 0.03 0.00 -0.00 0.00 0.00 52.55 54.10 3ab4 s ASP 35 Cb -0.13 -2.38 0.01 0.00 -0.00 0.00 0.00 42.92 40.42 3ab4 s ASP 35 CO 0.26 0.10 -0.17 0.68 -0.00 0.00 0.00 175.17 176.03 3ab4 s VAL 36 N -0.19 1.48 -0.08 -1.27 -7.23 -1.26 -1.80 120.40 110.04 3ab4 s VAL 36 Ca 0.32 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 3ab4 s VAL 36 Cb -0.18 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3ab4 s VAL 36 CO 0.18 0.43 -0.17 0.54 -0.31 0.00 0.00 175.10 175.77 3ab4 s VAL 37 N 0.47 2.77 -0.01 1.32 0.11 -1.02 -2.56 120.40 121.48 3ab4 s VAL 37 Ca -0.15 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.17 3ab4 s VAL 37 Cb -0.16 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.58 3ab4 s VAL 37 CO 0.05 0.56 -0.21 0.54 -3.33 0.00 0.00 175.10 172.71 3ab4 s VAL 38 N -0.13 1.65 -0.08 2.04 0.11 0.64 -0.91 120.40 123.71 3ab4 s VAL 38 Ca -0.02 -0.91 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3ab4 s VAL 38 Cb -0.14 -1.37 -0.00 0.00 -1.53 0.00 0.00 36.38 33.34 3ab4 s VAL 38 CO 0.04 0.45 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.34 3ab4 s VAL 39 N -0.51 1.92 -0.08 2.04 1.01 0.38 -1.79 120.40 123.37 3ab4 s VAL 39 Ca 0.08 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3ab4 s VAL 39 Cb -0.08 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3ab4 s VAL 39 CO -0.01 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.39 3ab4 s SER 41 N 0.18 3.05 0.70 0.00 0.01 -0.74 -4.86 113.70 112.04 3ab4 s SER 41 Ca -0.13 0.79 -0.11 0.00 1.31 0.00 0.00 55.95 57.81 3ab4 s SER 41 Cb -0.16 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.85 3ab4 s SER 41 CO 0.07 -2.82 1.06 0.00 0.41 0.00 0.00 173.24 171.96 3ab4 s ALA 42 N -3.34 2.65 0.02 1.44 0.00 -1.26 -4.71 121.76 116.56 3ab4 s ALA 42 Ca 0.67 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3ab4 s ALA 42 Cb -0.12 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 3ab4 s ALA 42 CO 0.54 -1.26 1.63 -1.64 0.00 0.00 0.00 175.76 175.03 3ab4 s MET 43 N -5.06 4.20 6.86 0.00 1.00 -1.26 -4.14 119.30 120.90 3ab4 s MET 43 Ca 0.58 2.24 0.00 0.00 0.00 0.00 0.00 55.69 58.51 3ab4 s MET 43 Cb -0.14 -3.75 0.00 0.00 0.00 0.00 0.00 34.83 30.94 3ab4 s MET 43 CO 0.55 -0.76 0.00 0.41 0.00 0.00 0.00 175.02 175.22 3ab4 n GLY 44 N 4.01 3.62 2.21 -0.03 0.00 0.15 -1.30 105.19 113.85 3ab4 n GLY 44 Ca 0.16 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3ab4 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ab4 n ASP 45 N 5.30 6.05 -0.11 1.61 8.00 -1.26 -4.58 116.55 131.55 3ab4 n ASP 45 Ca 0.00 -3.59 -0.12 0.00 0.71 0.00 0.00 54.79 51.78 3ab4 n ASP 45 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ab4 h THR 46 N 0.97 1.29 -0.01 -3.53 2.02 -1.47 -2.47 112.91 109.70 3ab4 h THR 46 Ca 0.57 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 3ab4 h THR 46 Cb 1.55 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3ab4 h THR 46 CO 1.29 0.44 0.00 0.71 0.37 0.00 0.00 175.52 178.33 3ab4 h THR 47 N 0.53 1.09 -0.49 3.16 1.35 -1.83 0.21 112.91 116.92 3ab4 h THR 47 Ca 0.07 -0.25 0.09 0.00 -0.55 0.00 0.00 66.41 65.77 3ab4 h THR 47 Cb 0.76 1.24 -0.07 0.00 -1.73 0.00 0.00 68.15 68.35 3ab4 h THR 47 CO 0.06 0.07 0.05 0.44 -0.25 0.00 0.00 175.52 175.89 3ab4 h ASP 48 N -0.09 -0.10 -0.46 5.36 3.32 -1.92 0.48 116.42 123.01 3ab4 h ASP 48 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3ab4 h ASP 48 Cb 0.11 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3ab4 h ASP 48 CO -0.00 -0.02 0.22 -0.33 -1.72 0.00 0.00 179.24 177.38 3ab4 h GLU 49 N 0.17 0.42 -0.69 3.56 5.08 -1.03 0.22 114.58 122.31 3ab4 h GLU 49 Ca 0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ab4 h GLU 49 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3ab4 h GLU 49 CO -0.36 0.28 0.45 -0.07 -1.00 0.00 0.00 179.01 178.30 3ab4 h LEU 50 N 0.43 0.80 -0.47 1.33 4.07 0.69 -1.62 115.31 120.54 3ab4 h LEU 50 Ca 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 3ab4 h LEU 50 Cb 0.13 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3ab4 h LEU 50 CO -0.16 0.59 0.16 -0.07 -1.08 0.00 0.00 178.44 177.89 3ab4 h LEU 51 N 0.94 0.66 -0.67 1.67 3.38 0.50 -0.52 115.31 121.27 3ab4 h LEU 51 Ca 0.25 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ab4 h LEU 51 Cb -0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3ab4 h LEU 51 CO -0.05 0.67 0.43 -0.08 0.09 0.00 0.00 178.44 179.50 3ab4 h GLU 52 N 0.61 0.83 -0.57 1.13 4.81 -0.35 -0.28 114.58 120.76 3ab4 h GLU 52 Ca 0.15 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3ab4 h GLU 52 Cb 0.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3ab4 h GLU 52 CO -0.01 0.55 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.73 3ab4 h LEU 53 N 0.86 0.99 0.17 1.64 3.38 -1.05 -1.42 115.31 119.88 3ab4 h LEU 53 Ca 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ab4 h LEU 53 Cb -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3ab4 h LEU 53 CO -0.08 1.05 -0.09 0.00 0.09 0.00 0.00 178.44 179.41 3ab4 h ALA 54 N 1.05 -0.24 0.00 1.53 0.00 -0.83 -2.77 119.26 118.00 3ab4 h ALA 54 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 54 Cb 0.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ab4 h ALA 54 CO 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.65 3ab4 h ALA 55 N 0.59 1.00 0.00 0.00 0.00 -0.86 -0.46 119.26 119.53 3ab4 h ALA 55 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ab4 h ALA 55 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ab4 h ALA 55 CO 0.04 0.00 -0.82 0.00 0.00 0.00 0.00 179.25 178.47 3ab4 h ALA 56 N 2.08 0.52 0.00 0.00 0.00 -1.11 -3.37 119.26 117.37 3ab4 h ALA 56 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 3ab4 h ALA 56 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ab4 h ALA 56 CO 0.00 0.97 -1.93 0.28 0.00 0.00 0.00 179.25 178.58 3ab4 n VAL 57 N -3.27 0.87 -2.82 0.00 0.31 -0.28 -4.85 118.33 108.28 3ab4 n VAL 57 Ca -0.00 -0.69 0.01 0.00 -0.01 0.00 0.00 64.34 63.65 3ab4 n VAL 57 Cb 0.85 -0.40 0.01 0.00 -0.91 0.00 0.00 33.84 33.39 3ab4 n VAL 57 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3ab4 s ASN 58 N -5.27 -0.54 0.77 4.52 3.04 -0.59 -5.10 114.94 111.77 3ab4 s ASN 58 Ca -0.07 -0.33 -0.15 0.00 0.04 0.00 0.00 52.86 52.35 3ab4 s ASN 58 Cb 0.09 0.69 0.05 0.00 -1.54 0.00 0.00 41.25 40.54 3ab4 s ASN 58 CO 0.85 -0.05 1.15 -2.65 -3.04 0.00 0.00 177.10 173.36 3ab4 n PRO 59 N 3.63 0.40 -3.98 0.43 -0.02 -1.26 -2.49 135.00 131.70 3ab4 n PRO 59 Ca 0.08 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 3ab4 n PRO 59 Cb 0.62 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 3ab4 n PRO 59 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ab4 n VAL 60 N -2.90 -3.47 -1.98 -1.45 3.14 -1.26 -4.94 118.33 105.47 3ab4 n VAL 60 Ca 0.14 -0.69 -0.32 0.00 -2.96 0.00 0.00 64.34 60.51 3ab4 n VAL 60 Cb 0.50 -2.77 0.01 0.00 -1.06 0.00 0.00 33.84 30.51 3ab4 n VAL 60 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3ab4 s PRO 61 N -7.00 3.42 0.72 1.45 0.04 -1.04 -5.01 135.00 127.58 3ab4 s PRO 61 Ca 0.43 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 3ab4 s PRO 61 Cb -0.21 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.31 3ab4 s PRO 61 CO 0.94 -0.72 1.23 -2.14 0.04 0.00 0.00 177.00 176.35 3ab4 s PRO 62 N -4.49 2.17 0.26 0.56 0.02 -1.26 -4.87 135.00 127.38 3ab4 s PRO 62 Ca 0.60 1.83 0.11 0.00 0.02 0.00 0.00 61.00 63.56 3ab4 s PRO 62 Cb -0.13 -1.83 0.30 0.00 0.02 0.00 0.00 34.50 32.86 3ab4 s PRO 62 CO 0.43 -1.83 1.57 0.00 -0.33 0.00 0.00 177.00 176.84 3ab4 h ALA 63 N -0.17 0.89 -0.00 -1.55 0.00 -1.98 -1.49 119.26 114.96 3ab4 h ALA 63 Ca -0.48 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3ab4 h ALA 63 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ab4 h ALA 63 CO 0.50 0.81 -0.04 2.89 0.00 0.00 0.00 179.25 183.41 3ab4 n ARG 64 N -3.71 0.68 -0.04 0.00 1.85 -1.26 -0.02 116.66 114.15 3ab4 n ARG 64 Ca -0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 57.85 56.73 3ab4 n ARG 64 Cb 0.65 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.44 3ab4 n ARG 64 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3ab4 n GLU 65 N -1.07 1.04 0.05 2.89 -0.58 -1.15 -4.10 120.64 117.73 3ab4 n GLU 65 Ca 0.17 -0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 3ab4 n GLU 65 Cb 0.23 -1.39 -0.08 0.00 -0.57 0.00 0.00 31.44 29.63 3ab4 n GLU 65 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3ab4 h MET 66 N 0.00 0.58 -0.78 3.49 2.86 -1.03 -2.28 114.93 117.77 3ab4 h MET 66 Ca -0.23 -0.62 -0.02 0.00 -2.06 0.00 0.00 59.70 56.78 3ab4 h MET 66 Cb 1.40 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 33.20 3ab4 h MET 66 CO 0.01 1.23 0.42 -0.44 1.06 0.00 0.00 176.91 179.20 3ab4 h ASP 67 N 0.33 0.97 0.45 1.22 3.32 -0.68 -1.89 116.42 120.13 3ab4 h ASP 67 Ca -0.11 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.72 3ab4 h ASP 67 Cb 1.64 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 3ab4 h ASP 67 CO 0.19 0.78 -0.63 -0.03 -1.72 0.00 0.00 179.24 177.83 3ab4 h MET 68 N 1.09 0.17 -0.03 3.56 1.85 -1.70 -2.35 114.93 117.52 3ab4 h MET 68 Ca 0.27 -0.12 -0.13 0.00 -0.61 0.00 0.00 59.70 59.11 3ab4 h MET 68 Cb 0.03 0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.09 3ab4 h MET 68 CO -0.04 0.74 -0.51 1.25 -0.40 0.00 0.00 176.91 177.95 3ab4 h LEU 69 N 0.13 0.49 0.00 3.39 5.85 -1.15 -3.07 115.31 120.95 3ab4 h LEU 69 Ca -0.01 -0.73 -0.17 0.00 0.84 0.00 0.00 57.88 57.82 3ab4 h LEU 69 Cb 1.13 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3ab4 h LEU 69 CO 0.09 1.15 -0.91 -0.07 -0.34 0.00 0.00 178.44 178.37 3ab4 h LEU 70 N -0.12 0.00 -1.09 2.25 3.38 -1.42 -2.89 115.31 115.42 3ab4 h LEU 70 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ab4 h LEU 70 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3ab4 h LEU 70 CO 0.10 0.74 0.02 0.74 0.09 0.00 0.00 178.44 180.14 3ab4 h THR 71 N 0.00 1.22 -0.35 0.22 2.02 -1.55 -2.46 112.91 112.01 3ab4 h THR 71 Ca -0.05 -0.86 -0.14 0.00 0.77 0.00 0.00 66.41 66.13 3ab4 h THR 71 Cb 1.61 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3ab4 h THR 71 CO 0.09 0.30 -0.33 0.00 0.37 0.00 0.00 175.52 175.95 3ab4 h ALA 72 N 1.40 0.51 -0.58 6.16 0.00 -1.47 0.12 119.26 125.39 3ab4 h ALA 72 Ca 0.13 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ab4 h ALA 72 Cb 0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ab4 h ALA 72 CO 0.01 0.56 0.35 0.78 0.00 0.00 0.00 179.25 180.96 3ab4 h GLY 73 N 0.62 0.83 1.45 0.00 0.00 -1.47 -2.12 103.07 102.39 3ab4 h GLY 73 Ca 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3ab4 h GLY 73 CO 0.08 0.22 -0.06 0.83 0.00 0.00 0.00 176.54 177.62 3ab4 h GLU 74 N 0.69 0.66 -0.35 4.80 5.08 -1.26 -3.04 114.58 121.16 3ab4 h GLU 74 Ca 0.24 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ab4 h GLU 74 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3ab4 h GLU 74 CO -0.10 0.72 -0.01 0.00 -1.00 0.00 0.00 179.01 178.62 3ab4 h ARG 75 N 0.62 0.54 0.21 2.33 3.08 -0.11 -2.32 114.38 118.73 3ab4 h ARG 75 Ca 0.12 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ab4 h ARG 75 Cb 0.47 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3ab4 h ARG 75 CO 0.02 0.57 -0.30 0.82 -1.07 0.00 0.00 179.97 180.02 3ab4 h ILE 76 N 0.52 0.37 0.12 2.04 1.08 -1.31 -0.77 117.51 119.55 3ab4 h ILE 76 Ca 0.11 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.60 3ab4 h ILE 76 Cb 0.34 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 3ab4 h ILE 76 CO 0.01 0.00 -0.36 0.28 -0.69 0.00 0.00 178.15 177.39 3ab4 h SER 77 N -0.57 -1.06 -0.80 1.72 0.02 -1.57 -1.43 113.55 109.85 3ab4 h SER 77 Ca 0.01 0.12 0.19 0.00 -0.84 0.00 0.00 61.79 61.27 3ab4 h SER 77 Cb 0.56 0.40 -0.12 0.00 0.14 0.00 0.00 62.40 63.37 3ab4 h SER 77 CO -0.11 -0.45 0.20 -1.13 -1.14 0.00 0.00 176.83 174.21 3ab4 h ASN 78 N -0.60 0.01 -0.13 3.07 -0.73 -1.32 0.38 115.58 116.26 3ab4 h ASN 78 Ca 0.03 0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.35 3ab4 h ASN 78 Cb 0.63 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 3ab4 h ASN 78 CO -0.21 -0.08 0.01 0.00 -0.37 0.00 0.00 177.43 176.78 3ab4 h ALA 79 N 1.69 0.18 -0.05 1.57 0.00 -0.80 -1.76 119.26 120.08 3ab4 h ALA 79 Ca 0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ab4 h ALA 79 Cb 0.87 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ab4 h ALA 79 CO -0.57 -0.15 0.02 -0.07 0.00 0.00 0.00 179.25 178.48 3ab4 h LEU 80 N -0.02 0.07 -0.84 0.00 3.38 -0.33 -0.90 115.31 116.67 3ab4 h LEU 80 Ca 0.04 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3ab4 h LEU 80 Cb 0.32 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3ab4 h LEU 80 CO 0.00 0.21 0.50 0.58 0.09 0.00 0.00 178.44 179.82 3ab4 h VAL 81 N -0.08 0.97 -0.41 1.22 2.07 -0.32 -0.05 116.25 119.65 3ab4 h VAL 81 Ca 0.02 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ab4 h VAL 81 Cb 0.16 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3ab4 h VAL 81 CO -0.00 0.16 0.25 0.00 0.02 0.00 0.00 177.57 178.00 3ab4 h ALA 82 N 1.43 0.53 -1.00 1.67 0.00 -1.03 0.39 119.26 121.25 3ab4 h ALA 82 Ca 0.39 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ab4 h ALA 82 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3ab4 h ALA 82 CO -0.21 0.02 0.66 0.52 0.00 0.00 0.00 179.25 180.23 3ab4 h MET 83 N 0.54 1.28 -0.01 0.00 2.07 -0.66 -2.14 114.93 116.02 3ab4 h MET 83 Ca 0.15 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3ab4 h MET 83 Cb -0.00 -0.29 -0.00 0.00 -1.87 0.00 0.00 31.60 29.44 3ab4 h MET 83 CO -0.03 0.85 0.00 0.00 1.07 0.00 0.00 176.91 178.80 3ab4 h ALA 84 N 1.38 0.02 -0.66 6.32 0.00 -0.35 -2.08 119.26 123.90 3ab4 h ALA 84 Ca 0.38 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3ab4 h ALA 84 Cb -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3ab4 h ALA 84 CO -0.09 -0.37 0.36 0.82 0.00 0.00 0.00 179.25 179.96 3ab4 h ILE 85 N -0.20 0.95 -0.17 0.00 2.04 -0.87 -2.24 117.51 117.02 3ab4 h ILE 85 Ca 0.00 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3ab4 h ILE 85 Cb 0.23 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3ab4 h ILE 85 CO 0.00 0.12 -0.14 -0.33 0.00 0.00 0.00 178.15 177.80 3ab4 h GLU 86 N 0.65 0.28 0.00 2.37 5.08 -1.19 -0.68 114.58 121.09 3ab4 h GLU 86 Ca 0.30 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3ab4 h GLU 86 Cb 0.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ab4 h GLU 86 CO -0.19 0.43 -0.08 0.66 -1.00 0.00 0.00 179.01 178.82 3ab4 h SER 87 N 0.26 0.00 -0.33 1.42 4.64 -0.77 -2.30 113.55 116.47 3ab4 h SER 87 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ab4 h SER 87 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ab4 h SER 87 CO 0.02 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 3ab4 n LEU 88 N -3.44 2.13 -0.63 5.97 4.32 -0.28 -4.95 117.00 120.11 3ab4 n LEU 88 Ca -0.01 -1.00 -0.03 0.00 -0.02 0.00 0.00 56.01 54.94 3ab4 n LEU 88 Cb 0.23 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3ab4 n LEU 88 CO 0.28 0.50 -0.01 0.61 -1.22 0.00 0.00 177.39 177.55 3ab4 n GLY 89 N 1.18 0.44 3.47 -0.72 0.00 -0.86 -5.07 105.19 103.63 3ab4 n GLY 89 Ca 0.15 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3ab4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 90 N -2.54 2.69 -0.11 4.61 0.00 -1.17 -5.04 121.76 120.19 3ab4 s ALA 90 Ca 0.04 -1.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.02 3ab4 s ALA 90 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3ab4 s ALA 90 CO 0.05 0.21 0.19 -1.21 0.00 0.00 0.00 175.76 175.00 3ab4 s GLU 91 N -3.55 3.65 -0.04 0.00 2.02 -1.26 -4.03 118.70 115.48 3ab4 s GLU 91 Ca 0.30 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 55.27 3ab4 s GLU 91 Cb -0.03 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.98 3ab4 s GLU 91 CO 0.14 0.68 -0.08 0.00 0.02 0.00 0.00 175.26 176.03 3ab4 s ALA 92 N -0.80 0.86 -0.16 5.21 0.00 -1.26 -0.62 121.76 124.99 3ab4 s ALA 92 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3ab4 s ALA 92 Cb -0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3ab4 s ALA 92 CO 0.05 0.07 -0.11 -1.14 0.00 0.00 0.00 175.76 174.62 3ab4 s GLN 93 N 0.64 3.35 0.63 0.00 0.74 -1.05 -4.97 119.66 119.00 3ab4 s GLN 93 Ca -0.10 -0.68 -0.09 0.00 0.05 0.00 0.00 55.36 54.54 3ab4 s GLN 93 Cb -0.13 -2.74 -0.01 0.00 1.10 0.00 0.00 33.01 31.23 3ab4 s GLN 93 CO 0.01 0.06 0.99 -1.12 -0.55 0.00 0.00 175.29 174.68 3ab4 s SER 94 N 0.76 5.81 0.03 6.67 0.01 -1.26 -2.43 113.70 123.29 3ab4 s SER 94 Ca -0.05 1.09 -0.10 0.00 1.31 0.00 0.00 55.95 58.21 3ab4 s SER 94 Cb -0.15 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.01 3ab4 s SER 94 CO 0.01 -1.04 0.20 -0.36 0.41 0.00 0.00 173.24 172.46 3ab4 s PHE 95 N -3.14 0.03 0.16 2.43 0.08 0.11 -4.89 117.98 112.76 3ab4 s PHE 95 Ca 0.55 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 57.45 3ab4 s PHE 95 Cb -0.11 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 3ab4 s PHE 95 CO 0.50 -0.41 -0.01 -0.08 -0.10 0.00 0.00 175.22 175.11 3ab4 s THR 96 N -2.35 3.72 0.37 0.64 -1.32 -1.26 -4.38 115.64 111.05 3ab4 s THR 96 Ca -0.07 -1.36 0.15 0.00 -1.21 0.00 0.00 61.69 59.21 3ab4 s THR 96 Cb -0.02 -2.84 0.36 0.00 -1.51 0.00 0.00 72.50 68.49 3ab4 s THR 96 CO -0.03 -0.06 1.74 1.23 -2.21 0.00 0.00 174.62 175.29 3ab4 h GLY 97 N 2.89 1.56 -0.64 6.08 0.00 -2.00 -1.89 103.07 109.06 3ab4 h GLY 97 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3ab4 h GLY 97 CO 0.58 -0.22 0.00 -1.26 0.00 0.00 0.00 176.54 175.63 3ab4 n SER 98 N -4.76 0.11 0.07 0.19 2.88 -1.26 -4.64 113.62 106.20 3ab4 n SER 98 Ca 0.27 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3ab4 n SER 98 Cb 0.87 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 3ab4 n SER 98 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3ab4 n VAL 116 N 0.09 0.00 -4.21 2.46 0.31 -0.71 -5.12 118.33 111.14 3ab4 n VAL 116 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3ab4 n VAL 116 Cb 0.03 -0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 3ab4 n VAL 116 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ab4 s THR 117 N -1.32 0.00 0.18 2.52 -4.23 -1.26 -5.04 115.64 106.49 3ab4 s THR 117 Ca 0.00 -1.89 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 3ab4 s THR 117 Cb 0.00 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.40 3ab4 s THR 117 CO 0.00 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.38 3ab4 h PRO 118 N 2.22 0.33 -0.04 3.99 0.13 -1.96 -3.17 132.00 133.51 3ab4 h PRO 118 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ab4 h PRO 118 Cb 1.24 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ab4 h PRO 118 CO 0.40 0.22 -0.05 0.78 -0.23 0.00 0.00 178.00 179.12 3ab4 h GLY 119 N 0.34 -1.80 2.00 1.56 0.00 -1.98 0.27 103.07 103.46 3ab4 h GLY 119 Ca 0.23 0.80 -0.05 0.00 0.00 0.00 0.00 47.33 48.31 3ab4 h GLY 119 CO -0.23 -0.66 -0.24 0.07 0.00 0.00 0.00 176.54 175.48 3ab4 h ARG 120 N -0.04 0.00 0.40 4.80 0.11 -1.98 -2.00 114.38 115.66 3ab4 h ARG 120 Ca 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 3ab4 h ARG 120 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 3ab4 h ARG 120 CO -0.06 0.24 -0.19 0.28 0.10 0.00 0.00 179.97 180.34 3ab4 h VAL 121 N 0.00 0.48 -0.46 0.08 2.07 -1.45 -2.88 116.25 114.09 3ab4 h VAL 121 Ca -0.00 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.06 3ab4 h VAL 121 Cb 0.49 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3ab4 h VAL 121 CO 0.03 0.08 0.32 -0.09 0.02 0.00 0.00 177.57 177.94 3ab4 h ARG 122 N -0.91 0.15 0.02 1.57 9.65 -0.24 0.12 114.38 124.74 3ab4 h ARG 122 Ca -0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3ab4 h ARG 122 Cb 0.55 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3ab4 h ARG 122 CO 0.09 0.10 -0.01 1.49 2.80 0.00 0.00 179.97 184.44 3ab4 h GLU 123 N 0.15 -0.03 -0.39 0.20 4.57 -1.41 -1.96 114.58 115.72 3ab4 h GLU 123 Ca 0.22 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3ab4 h GLU 123 Cb 0.66 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3ab4 h GLU 123 CO -0.03 0.13 -0.15 0.00 -1.18 0.00 0.00 179.01 177.78 3ab4 h ALA 124 N 0.78 1.01 -0.71 2.92 0.00 -0.77 -2.87 119.26 119.63 3ab4 h ALA 124 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ab4 h ALA 124 Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ab4 h ALA 124 CO 0.01 0.59 0.45 -0.07 0.00 0.00 0.00 179.25 180.23 3ab4 h LEU 125 N 0.64 0.75 -1.57 0.00 4.07 -0.82 -0.78 115.31 117.59 3ab4 h LEU 125 Ca 0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 3ab4 h LEU 125 Cb 0.62 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3ab4 h LEU 125 CO 0.04 0.53 -0.23 0.44 -1.08 0.00 0.00 178.44 178.14 3ab4 h ASP 126 N 0.89 0.00 0.30 -0.43 3.32 -1.14 0.10 116.42 119.46 3ab4 h ASP 126 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ab4 h ASP 126 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ab4 h ASP 126 CO -0.09 0.23 0.00 -0.62 -1.72 0.00 0.00 179.24 177.04 3ab4 n GLU 127 N -4.05 0.53 -1.70 3.56 1.02 -0.99 -4.89 120.64 114.12 3ab4 n GLU 127 Ca -0.02 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 3ab4 n GLU 127 Cb 0.30 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3ab4 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ab4 n GLY 128 N 0.76 0.38 3.77 0.62 0.00 0.35 -5.04 105.19 106.03 3ab4 n GLY 128 Ca 0.15 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3ab4 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s LYS 129 N -3.43 4.28 -0.13 1.61 1.02 -0.34 -4.66 119.74 118.09 3ab4 s LYS 129 Ca 0.00 0.71 -0.29 0.00 0.02 0.00 0.00 55.97 56.41 3ab4 s LYS 129 Cb 0.00 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3ab4 s LYS 129 CO 0.00 0.42 1.13 0.42 -0.92 0.00 0.00 175.35 176.39 3ab4 s ILE 130 N -0.34 4.50 -0.33 2.17 1.01 0.21 -4.10 121.20 124.32 3ab4 s ILE 130 Ca 0.30 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.64 3ab4 s ILE 130 Cb -0.18 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3ab4 s ILE 130 CO 0.17 -0.07 0.19 0.00 0.00 0.00 0.00 174.94 175.23 3ab4 s ILE 132 N 1.64 5.27 0.00 0.00 1.09 -1.02 -0.26 121.20 127.93 3ab4 s ILE 132 Ca 0.05 0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 3ab4 s ILE 132 Cb -0.17 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 3ab4 s ILE 132 CO 0.08 0.27 0.00 1.33 -0.10 0.00 0.00 174.94 176.51 3ab4 n VAL 133 N 4.63 0.00 -0.32 2.92 0.24 -0.74 0.08 118.33 125.14 3ab4 n VAL 133 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3ab4 n VAL 133 Cb 0.52 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 3ab4 n VAL 133 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ab4 n GLY 152 N 4.99 3.30 3.87 7.63 0.00 -1.26 -4.30 105.19 119.43 3ab4 n GLY 152 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3ab4 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ab4 s GLY 153 N 0.46 1.95 0.02 -0.02 0.00 -1.26 -4.94 107.32 103.53 3ab4 s GLY 153 Ca 0.21 -0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.49 3ab4 s GLY 153 CO 0.02 -0.01 1.43 1.48 0.00 0.00 0.00 173.10 176.02 3ab4 h SER 154 N 1.27 0.02 -0.79 1.64 4.64 -1.99 0.25 113.55 118.59 3ab4 h SER 154 Ca -0.47 -0.32 0.08 0.00 -0.47 0.00 0.00 61.79 60.60 3ab4 h SER 154 Cb 1.19 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 3ab4 h SER 154 CO 0.64 0.33 0.46 0.44 -0.87 0.00 0.00 176.83 177.83 3ab4 h ASP 155 N -0.30 0.69 0.16 4.97 3.45 -1.98 -1.55 116.42 121.86 3ab4 h ASP 155 Ca 0.00 0.03 -0.18 0.00 0.43 0.00 0.00 57.03 57.31 3ab4 h ASP 155 Cb 0.32 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3ab4 h ASP 155 CO 0.00 0.42 -0.70 0.74 -1.57 0.00 0.00 179.24 178.13 3ab4 h THR 156 N 0.81 1.35 -0.34 0.35 2.02 -1.87 -2.47 112.91 112.77 3ab4 h THR 156 Ca 0.36 -2.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 3ab4 h THR 156 Cb 0.26 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3ab4 h THR 156 CO -0.21 0.63 0.09 0.74 0.37 0.00 0.00 175.52 177.14 3ab4 h THR 157 N 0.34 1.22 -0.25 3.16 2.02 -0.17 0.15 112.91 119.39 3ab4 h THR 157 Ca -0.03 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3ab4 h THR 157 Cb 1.28 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3ab4 h THR 157 CO 0.13 0.25 0.14 0.00 0.37 0.00 0.00 175.52 176.40 3ab4 h ALA 158 N 0.93 0.30 -0.34 6.16 0.00 -1.24 0.54 119.26 125.61 3ab4 h ALA 158 Ca 0.11 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3ab4 h ALA 158 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ab4 h ALA 158 CO -0.00 -0.25 -0.40 0.28 0.00 0.00 0.00 179.25 178.88 3ab4 h VAL 159 N 0.29 1.28 -0.40 0.00 2.07 -1.36 -1.67 116.25 116.46 3ab4 h VAL 159 Ca 0.10 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.11 3ab4 h VAL 159 Cb -0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3ab4 h VAL 159 CO -0.04 0.52 0.03 0.00 0.02 0.00 0.00 177.57 178.10 3ab4 h ALA 160 N 0.85 0.40 0.70 1.67 0.00 -0.42 -1.20 119.26 121.26 3ab4 h ALA 160 Ca 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ab4 h ALA 160 Cb 0.97 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3ab4 h ALA 160 CO 0.09 -0.36 -0.33 -0.07 0.00 0.00 0.00 179.25 178.57 3ab4 h LEU 161 N 0.15 -0.79 -0.87 0.00 3.38 -0.62 -0.13 115.31 116.42 3ab4 h LEU 161 Ca 0.20 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.35 3ab4 h LEU 161 Cb 0.26 0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.05 3ab4 h LEU 161 CO -0.30 -0.50 -0.17 0.00 0.09 0.00 0.00 178.44 177.56 3ab4 h ALA 162 N -0.80 0.66 0.33 1.53 0.00 -1.25 0.39 119.26 120.12 3ab4 h ALA 162 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ab4 h ALA 162 Cb 0.74 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3ab4 h ALA 162 CO 0.16 -0.42 -0.41 0.00 0.00 0.00 0.00 179.25 178.58 3ab4 h ALA 163 N 1.87 -0.85 -0.04 0.00 0.00 -0.81 0.29 119.26 119.71 3ab4 h ALA 163 Ca 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ab4 h ALA 163 Cb 0.71 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ab4 h ALA 163 CO -0.88 -1.03 0.03 0.00 0.00 0.00 0.00 179.25 177.37 3ab4 h ALA 164 N -0.40 0.05 0.00 0.00 0.00 0.92 -1.52 119.26 118.32 3ab4 h ALA 164 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 164 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ab4 h ALA 164 CO -0.11 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 179.98 3ab4 n LEU 165 N -5.05 0.00 -2.92 0.00 7.99 0.11 -4.92 117.00 112.22 3ab4 n LEU 165 Ca -0.06 0.37 -0.13 0.00 -0.01 0.00 0.00 56.01 56.18 3ab4 n LEU 165 Cb 0.04 -0.37 0.07 0.00 -0.11 0.00 0.00 43.42 43.05 3ab4 n LEU 165 CO 0.33 -0.14 0.07 -0.46 -1.51 0.00 0.00 177.39 175.69 3ab4 n ASN 166 N -1.37 -2.77 -4.82 -1.43 0.23 0.78 -5.00 115.26 100.87 3ab4 n ASN 166 Ca 0.07 -0.51 -0.33 0.00 -0.53 0.00 0.00 54.58 53.29 3ab4 n ASN 166 Cb 0.18 -4.19 -0.03 0.00 -2.08 0.00 0.00 39.78 33.65 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ab4 s ALA 167 N -3.29 2.96 0.10 -2.53 0.00 0.18 -4.93 121.76 114.25 3ab4 s ALA 167 Ca 0.07 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 3ab4 s ALA 167 Cb -0.01 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 3ab4 s ALA 167 CO 0.58 -0.27 1.38 -0.44 0.00 0.00 0.00 175.76 177.01 3ab4 h ASP 168 N 1.20 0.87 -5.07 0.00 3.45 -1.59 -3.45 116.42 111.83 3ab4 h ASP 168 Ca -0.48 -0.54 -0.12 0.00 0.43 0.00 0.00 57.03 56.32 3ab4 h ASP 168 Cb 1.20 -0.25 -0.18 0.00 -0.56 0.00 0.00 39.33 39.54 3ab4 h ASP 168 CO 0.60 1.25 -0.47 0.68 -1.57 0.00 0.00 179.24 179.72 3ab4 s VAL 169 N -4.09 0.12 -0.26 -1.35 -7.23 -1.23 -4.30 120.40 102.05 3ab4 s VAL 169 Ca -0.11 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3ab4 s VAL 169 Cb 0.09 -0.84 0.05 0.00 0.56 0.00 0.00 36.38 36.24 3ab4 s VAL 169 CO 0.87 -0.54 -0.09 0.00 -0.31 0.00 0.00 175.10 175.03 3ab4 s GLU 171 N 1.18 4.22 -0.36 0.00 2.02 0.16 -2.02 118.70 123.91 3ab4 s GLU 171 Ca -0.06 0.26 -0.07 0.00 0.02 0.00 0.00 54.97 55.13 3ab4 s GLU 171 Cb -0.19 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.70 3ab4 s GLU 171 CO -0.05 0.28 0.14 0.42 0.02 0.00 0.00 175.26 176.08 3ab4 s ILE 172 N 0.28 3.82 -0.05 -1.63 -1.09 0.72 -0.33 121.20 122.92 3ab4 s ILE 172 Ca 0.21 -1.25 -0.06 0.00 -2.23 0.00 0.00 60.65 57.31 3ab4 s ILE 172 Cb -0.14 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3ab4 s ILE 172 CO 0.07 -0.28 0.20 -0.31 -1.23 0.00 0.00 174.94 173.40 3ab4 s TYR 173 N 1.39 3.59 0.00 3.97 2.02 0.92 -2.17 117.35 127.07 3ab4 s TYR 173 Ca -0.00 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 3ab4 s TYR 173 Cb -0.20 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 3ab4 s TYR 173 CO 0.02 0.68 0.00 -1.13 -1.57 0.00 0.00 175.55 173.55 3ab4 n SER 174 N 1.50 0.00 -0.92 2.29 3.41 -1.08 -0.96 113.62 117.86 3ab4 n SER 174 Ca -0.15 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.58 3ab4 n SER 174 Cb 0.54 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.72 3ab4 n SER 174 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ab4 n ASP 175 N 0.00 2.80 -4.56 4.04 3.85 -1.26 -1.56 116.55 119.85 3ab4 n ASP 175 Ca 0.00 -1.90 -0.34 0.00 -0.71 0.00 0.00 54.79 51.84 3ab4 n ASP 175 Cb 0.00 -0.11 -0.11 0.00 -1.35 0.00 0.00 41.12 39.55 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3ab4 s VAL 176 N -1.78 4.39 -1.71 2.12 -7.23 -1.26 -4.97 120.40 109.97 3ab4 s VAL 176 Ca 0.34 -0.17 0.06 0.00 -1.81 0.00 0.00 61.98 60.39 3ab4 s VAL 176 Cb 0.21 -2.97 0.19 0.00 0.56 0.00 0.00 36.38 34.37 3ab4 s VAL 176 CO 0.31 0.46 1.08 -0.90 -0.31 0.00 0.00 175.10 175.73 3ab4 n ASP 177 N 3.71 1.39 0.00 4.85 5.75 -1.26 -3.62 116.55 127.37 3ab4 n ASP 177 Ca -0.17 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 3ab4 n ASP 177 Cb 0.52 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3ab4 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ab4 n GLY 178 N 0.67 -0.90 3.76 6.12 0.00 -1.26 -3.87 105.19 109.71 3ab4 n GLY 178 Ca 0.07 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3ab4 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s VAL 179 N -2.00 5.04 0.33 1.61 0.11 -1.26 -4.99 120.40 119.24 3ab4 s VAL 179 Ca 0.00 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 3ab4 s VAL 179 Cb 0.00 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 3ab4 s VAL 179 CO 0.00 0.57 0.17 -0.31 -3.33 0.00 0.00 175.10 172.20 3ab4 s TYR 180 N -0.58 2.78 -0.78 1.54 2.02 -1.26 -0.40 117.35 120.67 3ab4 s TYR 180 Ca 0.11 -0.34 0.19 0.00 -0.37 0.00 0.00 57.07 56.67 3ab4 s TYR 180 Cb -0.12 -1.63 0.79 0.00 -0.40 0.00 0.00 41.96 40.60 3ab4 s TYR 180 CO 0.02 0.33 1.58 0.25 -1.57 0.00 0.00 175.55 176.17 3ab4 n THR 181 N -1.19 0.90 -3.72 -0.71 -2.24 0.20 -4.81 114.28 102.71 3ab4 n THR 181 Ca -0.03 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3ab4 n THR 181 Cb 0.61 -1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3ab4 n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ab4 s ALA 182 N -3.13 -2.06 -0.22 6.98 0.00 -1.26 -0.43 121.76 121.63 3ab4 s ALA 182 Ca 0.06 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 3ab4 s ALA 182 Cb 0.10 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3ab4 s ALA 182 CO 0.33 -1.06 1.90 0.34 0.00 0.00 0.00 175.76 177.27 3ab4 s ASP 183 N -3.10 5.96 0.54 0.00 3.68 -1.26 -4.89 116.67 117.60 3ab4 s ASP 183 Ca 0.16 1.74 0.20 0.00 2.13 0.00 0.00 52.55 56.78 3ab4 s ASP 183 Cb 0.02 -2.52 1.40 0.00 -1.45 0.00 0.00 42.92 40.37 3ab4 s ASP 183 CO -0.01 -1.58 2.16 -0.65 0.13 0.00 0.00 175.17 175.21 3ab4 h PRO 184 N 12.68 0.00 -0.53 4.34 0.11 -1.93 0.51 132.00 147.17 3ab4 h PRO 184 Ca -0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 3ab4 h PRO 184 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3ab4 h PRO 184 CO 0.99 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 178.94 3ab4 h ARG 185 N 0.00 0.79 0.00 1.05 -0.00 -1.94 -3.31 114.38 110.97 3ab4 h ARG 185 Ca 0.02 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.98 59.26 3ab4 h ARG 185 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 3ab4 h ARG 185 CO -0.00 0.70 -0.76 0.82 0.00 0.00 0.00 179.97 180.73 3ab4 h ILE 186 N 0.77 0.46 -3.71 2.04 2.04 -1.61 -3.43 117.51 114.07 3ab4 h ILE 186 Ca 0.18 -1.55 -0.68 0.00 1.00 0.00 0.00 64.86 63.81 3ab4 h ILE 186 Cb 0.24 1.07 -0.19 0.00 -0.74 0.00 0.00 36.82 37.20 3ab4 h ILE 186 CO -0.01 0.16 -0.49 -0.69 0.00 0.00 0.00 178.15 177.11 3ab4 s VAL 187 N -2.24 5.17 0.12 1.67 1.01 0.04 -4.92 120.40 121.24 3ab4 s VAL 187 Ca -0.20 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3ab4 s VAL 187 Cb 0.03 -3.64 -0.22 0.00 0.00 0.00 0.00 36.38 32.55 3ab4 s VAL 187 CO 0.38 0.01 1.27 1.55 0.00 0.00 0.00 175.10 178.31 3ab4 h PRO 188 N 8.46 0.07 -1.08 2.72 0.13 -1.84 -3.28 132.00 137.19 3ab4 h PRO 188 Ca -0.32 -0.11 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 3ab4 h PRO 188 Cb 1.16 0.04 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3ab4 h PRO 188 CO 0.63 1.03 0.69 0.27 -0.23 0.00 0.00 178.00 180.39 3ab4 n ASN 189 N -3.43 5.88 -4.73 1.44 2.04 -1.26 -4.96 115.26 110.24 3ab4 n ASN 189 Ca -0.02 -3.53 -0.41 0.00 -0.44 0.00 0.00 54.58 50.18 3ab4 n ASN 189 Cb 0.94 -0.92 -0.04 0.00 -2.53 0.00 0.00 39.78 37.23 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3ab4 s ALA 190 N -3.15 3.32 0.08 -2.53 0.00 -1.24 -4.42 121.76 113.82 3ab4 s ALA 190 Ca 0.54 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.25 3ab4 s ALA 190 Cb 0.43 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3ab4 s ALA 190 CO 0.03 -0.19 0.09 -0.65 0.00 0.00 0.00 175.76 175.04 3ab4 s GLN 191 N 0.09 2.91 0.18 0.00 -0.21 -1.26 -4.83 119.66 116.55 3ab4 s GLN 191 Ca 0.50 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 3ab4 s GLN 191 Cb -0.27 -2.75 -0.09 0.00 1.00 0.00 0.00 33.01 30.91 3ab4 s GLN 191 CO 0.32 0.57 1.32 0.21 -2.12 0.00 0.00 175.29 175.59 3ab4 s LYS 192 N -2.39 4.38 0.15 2.91 2.20 -1.26 -0.63 119.74 125.09 3ab4 s LYS 192 Ca 0.30 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 3ab4 s LYS 192 Cb -0.12 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 3ab4 s LYS 192 CO 0.22 -0.28 1.01 -0.51 -0.36 0.00 0.00 175.35 175.43 3ab4 s LEU 193 N 0.08 4.51 -0.01 5.43 2.01 0.47 -4.91 118.68 126.26 3ab4 s LEU 193 Ca 0.58 1.92 -0.25 0.00 0.01 0.00 0.00 54.13 56.39 3ab4 s LEU 193 Cb -0.36 -3.60 -0.19 0.00 0.01 0.00 0.00 46.19 42.05 3ab4 s LEU 193 CO 0.37 -0.10 1.29 1.05 1.01 0.00 0.00 176.35 179.97 3ab4 h GLU 194 N 5.27 -0.06 -3.62 1.70 -0.00 -1.88 -3.39 114.58 112.60 3ab4 h GLU 194 Ca -0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.86 3ab4 h GLU 194 Cb 1.21 0.01 -0.13 0.00 -0.00 0.00 0.00 28.75 29.85 3ab4 h GLU 194 CO 0.72 0.35 -0.21 -1.59 -0.00 0.00 0.00 179.01 178.28 3ab4 s LYS 195 N -4.47 1.05 -0.07 1.06 -2.85 -1.26 -1.43 119.74 111.77 3ab4 s LYS 195 Ca -0.15 -0.91 -0.23 0.00 -1.00 0.00 0.00 55.97 53.68 3ab4 s LYS 195 Cb 0.02 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.25 3ab4 s LYS 195 CO 0.65 -0.39 0.53 -1.17 0.10 0.00 0.00 175.35 175.06 3ab4 s LEU 196 N -2.86 -0.02 0.53 2.77 2.96 0.10 -4.91 118.68 117.25 3ab4 s LEU 196 Ca 0.07 0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 3ab4 s LEU 196 Cb 0.03 1.96 -0.05 0.00 0.50 0.00 0.00 46.19 48.64 3ab4 s LEU 196 CO -0.08 -0.46 0.90 -0.94 -1.32 0.00 0.00 176.35 174.45 3ab4 s SER 197 N -0.92 6.32 0.15 3.68 1.04 -1.26 -1.32 113.70 121.39 3ab4 s SER 197 Ca -0.10 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 57.33 3ab4 s SER 197 Cb -0.03 -2.37 0.02 0.00 0.10 0.00 0.00 66.02 63.74 3ab4 s SER 197 CO 0.06 -0.67 1.64 -0.26 0.98 0.00 0.00 173.24 174.99 3ab4 h PHE 198 N 0.23 -0.60 -0.12 5.02 0.04 -1.30 -0.65 116.94 119.57 3ab4 h PHE 198 Ca -0.46 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.22 3ab4 h PHE 198 Cb 1.19 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.63 3ab4 h PHE 198 CO 0.62 -0.30 -0.50 1.05 -0.60 0.00 0.00 178.31 178.58 3ab4 h GLU 199 N -0.24 0.31 -0.61 1.51 9.09 -1.94 0.10 114.58 122.80 3ab4 h GLU 199 Ca 0.13 -0.18 0.02 0.00 0.05 0.00 0.00 59.36 59.38 3ab4 h GLU 199 Cb 0.44 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.52 3ab4 h GLU 199 CO -0.37 0.74 0.39 0.93 0.05 0.00 0.00 179.01 180.76 3ab4 h GLU 200 N 0.25 0.76 -0.55 1.06 5.08 -1.79 0.30 114.58 119.69 3ab4 h GLU 200 Ca 0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3ab4 h GLU 200 Cb 0.97 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3ab4 h GLU 200 CO 0.08 0.51 0.08 1.98 -1.00 0.00 0.00 179.01 180.66 3ab4 h MET 201 N 0.79 0.93 -0.68 2.33 4.05 -0.72 -2.12 114.93 119.50 3ab4 h MET 201 Ca 0.24 -0.25 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3ab4 h MET 201 Cb -0.04 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3ab4 h MET 201 CO -0.08 0.90 0.43 1.25 0.23 0.00 0.00 176.91 179.64 3ab4 h LEU 202 N 0.82 0.71 -0.02 3.39 5.85 -0.27 -1.48 115.31 124.31 3ab4 h LEU 202 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ab4 h LEU 202 Cb 0.43 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3ab4 h LEU 202 CO 0.01 0.50 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.50 3ab4 h GLU 203 N 0.85 0.05 -0.48 1.25 4.57 -0.27 -1.85 114.58 118.70 3ab4 h GLU 203 Ca 0.27 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 3ab4 h GLU 203 Cb -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3ab4 h GLU 203 CO -0.10 0.57 0.08 -0.07 -1.18 0.00 0.00 179.01 178.31 3ab4 h LEU 204 N -0.46 -0.03 -2.01 1.64 3.38 -1.37 -1.62 115.31 114.84 3ab4 h LEU 204 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3ab4 h LEU 204 Cb 0.57 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3ab4 h LEU 204 CO 0.01 0.01 0.09 0.00 0.09 0.00 0.00 178.44 178.64 3ab4 h ALA 205 N 1.38 2.12 0.00 1.53 0.00 -1.10 -2.31 119.26 120.88 3ab4 h ALA 205 Ca 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ab4 h ALA 205 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ab4 h ALA 205 CO -0.33 -0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.60 3ab4 h ALA 206 N 1.93 1.06 0.00 0.00 0.00 -0.43 -3.34 119.26 118.49 3ab4 h ALA 206 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ab4 h ALA 206 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ab4 h ALA 206 CO -0.00 0.20 -0.23 1.33 0.00 0.00 0.00 179.25 180.55 3ab4 n VAL 207 N -3.37 1.31 0.00 0.00 0.24 -0.89 -4.97 118.33 110.65 3ab4 n VAL 207 Ca -0.00 -1.68 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 3ab4 n VAL 207 Cb 0.37 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ab4 n GLY 208 N -0.92 1.63 3.76 7.63 0.00 -1.16 -4.15 105.19 111.99 3ab4 n GLY 208 Ca 0.11 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3ab4 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ab4 s SER 209 N 0.00 5.89 -0.04 1.61 0.15 -1.07 -4.89 113.70 115.35 3ab4 s SER 209 Ca 0.00 2.75 0.15 0.00 0.70 0.00 0.00 55.95 59.55 3ab4 s SER 209 Cb 0.00 -2.64 0.28 0.00 -1.71 0.00 0.00 66.02 61.95 3ab4 s SER 209 CO 0.00 -1.15 1.12 0.29 1.20 0.00 0.00 173.24 174.70 3ab4 n LYS 210 N -0.32 0.37 0.12 5.44 5.02 -1.26 -4.48 118.16 123.05 3ab4 n LYS 210 Ca 0.06 -1.93 -0.05 0.00 -2.02 0.00 0.00 58.31 54.37 3ab4 n LYS 210 Cb 0.44 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.87 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ab4 h ILE 211 N 5.39 0.00 -3.07 -0.18 2.04 -1.97 -3.44 117.51 116.29 3ab4 h ILE 211 Ca -0.10 -0.27 -0.60 0.00 1.00 0.00 0.00 64.86 64.89 3ab4 h ILE 211 Cb 1.52 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3ab4 h ILE 211 CO 0.04 0.00 -0.36 -0.76 0.00 0.00 0.00 178.15 177.08 3ab4 s LEU 212 N -6.74 4.31 0.24 1.44 2.01 -1.26 -5.07 118.68 113.61 3ab4 s LEU 212 Ca -0.05 0.54 -0.30 0.00 0.01 0.00 0.00 54.13 54.33 3ab4 s LEU 212 Cb 0.01 -3.10 -0.09 0.00 0.01 0.00 0.00 46.19 43.01 3ab4 s LEU 212 CO 0.15 0.12 1.20 0.68 1.01 0.00 0.00 176.35 179.51 3ab4 s VAL 213 N -1.54 3.34 0.17 -1.59 -7.23 -1.26 -4.94 120.40 107.35 3ab4 s VAL 213 Ca 0.37 1.22 -0.15 0.00 -1.81 0.00 0.00 61.98 61.61 3ab4 s VAL 213 Cb -0.13 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 33.11 3ab4 s VAL 213 CO 0.23 0.24 1.72 -0.07 -0.31 0.00 0.00 175.10 176.91 3ab4 h LEU 214 N 4.49 -0.03 -1.74 1.32 3.38 -1.97 -2.20 115.31 118.57 3ab4 h LEU 214 Ca -0.46 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3ab4 h LEU 214 Cb 1.22 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3ab4 h LEU 214 CO 0.71 0.02 -0.16 0.08 0.09 0.00 0.00 178.44 179.18 3ab4 h ARG 215 N 0.19 0.00 -0.20 1.13 0.11 -1.99 -1.46 114.38 112.17 3ab4 h ARG 215 Ca 0.21 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.16 3ab4 h ARG 215 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3ab4 h ARG 215 CO -0.29 0.16 -0.37 0.66 0.10 0.00 0.00 179.97 180.23 3ab4 h SER 216 N 0.00 0.67 -0.82 0.08 4.64 -1.73 -1.03 113.55 115.36 3ab4 h SER 216 Ca -0.00 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.76 3ab4 h SER 216 Cb 0.41 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3ab4 h SER 216 CO 0.02 1.08 0.44 0.58 -0.87 0.00 0.00 176.83 178.08 3ab4 h VAL 217 N 0.28 1.25 -0.78 0.95 2.07 -1.26 -0.85 116.25 117.91 3ab4 h VAL 217 Ca 0.01 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3ab4 h VAL 217 Cb 0.96 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3ab4 h VAL 217 CO 0.08 0.28 0.30 -0.08 0.02 0.00 0.00 177.57 178.17 3ab4 h GLU 218 N 1.17 1.18 -0.54 1.57 4.57 -1.21 -0.55 114.58 120.78 3ab4 h GLU 218 Ca 0.29 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3ab4 h GLU 218 Cb 0.05 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 3ab4 h GLU 218 CO -0.04 0.96 0.33 1.88 -1.18 0.00 0.00 179.01 180.96 3ab4 h TYR 219 N 1.15 0.62 -0.69 0.92 -1.99 -0.61 -1.86 116.97 114.50 3ab4 h TYR 219 Ca 0.26 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3ab4 h TYR 219 Cb 0.24 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 3ab4 h TYR 219 CO 0.02 0.36 0.45 0.00 -0.00 0.00 0.00 178.16 178.99 3ab4 h ALA 220 N 1.23 0.87 -0.26 3.88 0.00 -0.58 -1.36 119.26 123.04 3ab4 h ALA 220 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 220 Cb -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3ab4 h ALA 220 CO -0.08 0.31 0.11 -0.09 0.00 0.00 0.00 179.25 179.50 3ab4 h ARG 221 N 0.93 0.23 -0.12 0.00 2.43 -0.77 0.54 114.38 117.63 3ab4 h ARG 221 Ca 0.25 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3ab4 h ARG 221 Cb -0.09 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3ab4 h ARG 221 CO -0.05 0.15 -0.07 0.00 -1.51 0.00 0.00 179.97 178.49 3ab4 h ALA 222 N 1.15 0.17 -0.44 2.80 0.00 -1.12 -3.02 119.26 118.79 3ab4 h ALA 222 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ab4 h ALA 222 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ab4 h ALA 222 CO -0.10 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.31 3ab4 n PHE 223 N -4.68 0.59 -3.75 0.00 3.01 -0.53 -4.95 117.46 107.14 3ab4 n PHE 223 Ca -0.06 -0.29 -0.23 0.00 1.01 0.00 0.00 57.45 57.88 3ab4 n PHE 223 Cb 0.30 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.79 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ab4 n ASN 224 N 0.80 -1.19 -4.34 4.37 5.15 0.17 -4.92 115.26 115.30 3ab4 n ASN 224 Ca 0.15 -0.87 -0.42 0.00 -0.60 0.00 0.00 54.58 52.84 3ab4 n ASN 224 Cb 0.38 -3.80 -0.10 0.00 -0.53 0.00 0.00 39.78 35.73 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ab4 s VAL 225 N -3.73 4.66 0.22 3.44 1.01 0.20 -5.02 120.40 121.18 3ab4 s VAL 225 Ca 0.03 -1.11 -0.32 0.00 0.00 0.00 0.00 61.98 60.58 3ab4 s VAL 225 Cb -0.01 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 3ab4 s VAL 225 CO 0.83 -0.44 1.63 -2.65 0.00 0.00 0.00 175.10 174.48 3ab4 n PRO 226 N 5.03 2.54 -4.24 2.72 -0.02 -1.26 -4.78 135.00 134.99 3ab4 n PRO 226 Ca -0.11 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 61.97 3ab4 n PRO 226 Cb 0.44 -2.71 -0.09 0.00 -0.02 0.00 0.00 33.50 31.13 3ab4 n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ab4 s LEU 227 N 0.66 3.44 -0.23 2.45 1.43 0.03 -0.74 118.68 125.72 3ab4 s LEU 227 Ca 0.73 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3ab4 s LEU 227 Cb -0.56 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 43.65 3ab4 s LEU 227 CO 0.39 0.23 -0.06 -0.60 0.23 0.00 0.00 176.35 176.54 3ab4 s ARG 228 N -1.89 1.68 -0.30 1.70 6.06 -0.85 -0.11 118.95 125.23 3ab4 s ARG 228 Ca 0.22 -0.97 -0.23 0.00 -2.50 0.00 0.00 55.73 52.26 3ab4 s ARG 228 Cb -0.12 -2.56 -0.00 0.00 0.06 0.00 0.00 34.95 32.33 3ab4 s ARG 228 CO 0.14 -0.57 0.75 0.08 -2.50 0.00 0.00 175.30 173.19 3ab4 s VAL 229 N 1.40 4.83 0.17 7.11 1.01 -0.20 -0.20 120.40 134.52 3ab4 s VAL 229 Ca -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 3ab4 s VAL 229 Cb -0.18 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3ab4 s VAL 229 CO -0.06 -0.21 0.42 0.00 0.00 0.00 0.00 175.10 175.25 3ab4 s ARG 230 N 2.86 1.23 0.14 2.72 1.70 -0.92 -0.70 118.95 125.97 3ab4 s ARG 230 Ca 0.31 -0.90 -0.22 0.00 -0.47 0.00 0.00 55.73 54.45 3ab4 s ARG 230 Cb -0.14 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 3ab4 s ARG 230 CO 0.12 -0.49 0.67 0.45 -1.08 0.00 0.00 175.30 174.97 3ab4 s SER 231 N -2.88 7.18 0.00 -2.89 0.15 -1.24 -2.63 113.70 111.40 3ab4 s SER 231 Ca 0.09 1.43 0.24 0.00 0.70 0.00 0.00 55.95 58.42 3ab4 s SER 231 Cb 0.01 -2.42 0.93 0.00 -1.71 0.00 0.00 66.02 62.83 3ab4 s SER 231 CO -0.05 0.21 1.66 -1.54 1.20 0.00 0.00 173.24 174.72 3ab4 n SER 232 N 1.48 1.52 -0.62 5.45 3.41 -0.60 -3.93 113.62 120.31 3ab4 n SER 232 Ca -0.07 -1.59 0.08 0.00 -0.26 0.00 0.00 58.87 57.04 3ab4 n SER 232 Cb 0.50 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 3ab4 n SER 232 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ab4 n TYR 233 N 0.20 0.00 -3.72 7.33 4.02 -1.26 -4.92 117.16 118.80 3ab4 n TYR 233 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.04 3ab4 n TYR 233 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 3ab4 n TYR 233 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3ab4 n SER 234 N 0.79 -0.24 -0.39 7.72 2.88 -1.25 -5.06 113.62 118.06 3ab4 n SER 234 Ca 0.09 -1.37 0.04 0.00 -1.33 0.00 0.00 58.87 56.31 3ab4 n SER 234 Cb 0.41 0.46 0.06 0.00 -0.75 0.00 0.00 64.21 64.39 3ab4 n SER 234 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ab4 n ASN 235 N -2.14 1.99 -4.72 -3.46 6.94 -1.26 -4.84 115.26 107.77 3ab4 n ASN 235 Ca 0.00 -1.53 -0.42 0.00 -0.02 0.00 0.00 54.58 52.61 3ab4 n ASN 235 Cb 0.11 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 3ab4 n ASN 235 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3ab4 s ASP 236 N -0.80 6.41 0.00 0.53 3.68 -1.26 -4.87 116.67 120.36 3ab4 s ASP 236 Ca 0.12 2.83 0.13 0.00 2.13 0.00 0.00 52.55 57.76 3ab4 s ASP 236 Cb 0.08 -2.60 0.69 0.00 -1.45 0.00 0.00 42.92 39.64 3ab4 s ASP 236 CO 0.11 -0.96 1.26 -0.81 0.13 0.00 0.00 175.17 174.90 3ab4 n PRO 237 N 4.18 0.28 0.00 4.34 -0.04 -1.26 -4.49 135.00 138.01 3ab4 n PRO 237 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3ab4 n PRO 237 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3ab4 n PRO 237 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ab4 n GLY 238 N -0.21 0.63 3.13 0.55 0.00 -1.25 -4.80 105.19 103.24 3ab4 n GLY 238 Ca 0.08 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 3ab4 n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ab4 s THR 239 N 0.00 1.48 -0.21 2.61 2.01 0.13 -4.75 115.64 116.90 3ab4 s THR 239 Ca 0.00 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 3ab4 s THR 239 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 3ab4 s THR 239 CO 0.00 0.43 0.57 -0.22 -0.69 0.00 0.00 174.62 174.71 3ab4 s LEU 240 N 0.13 4.13 -0.48 4.42 2.96 -0.51 -1.03 118.68 128.30 3ab4 s LEU 240 Ca -0.06 0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 54.43 3ab4 s LEU 240 Cb -0.13 -2.79 0.10 0.00 0.50 0.00 0.00 46.19 43.87 3ab4 s LEU 240 CO 0.03 -0.24 0.40 -0.63 -1.32 0.00 0.00 176.35 174.58 3ab4 s ILE 241 N 1.88 4.94 0.03 6.68 1.09 0.85 0.02 121.20 136.69 3ab4 s ILE 241 Ca 0.26 -1.33 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 3ab4 s ILE 241 Cb -0.16 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 3ab4 s ILE 241 CO 0.10 -0.67 0.00 0.00 -0.10 0.00 0.00 174.94 174.26 3ab4 n ALA 242 N 5.14 3.00 -1.95 9.38 0.00 -0.44 -0.79 120.51 134.85 3ab4 n ALA 242 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3ab4 n ALA 242 Cb 0.42 0.03 0.18 0.00 0.00 0.00 0.00 19.45 20.08 3ab4 n ALA 242 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ab4 s GLY 243 N -3.48 1.79 -0.04 0.00 0.00 -1.26 -4.60 107.32 99.73 3ab4 s GLY 243 Ca 0.00 -1.37 -0.18 0.00 0.00 0.00 0.00 44.72 43.18 3ab4 s GLY 243 CO 0.00 -0.61 0.49 -0.45 0.00 0.00 0.00 173.10 172.53 3ab4 s SER 244 N -4.89 6.83 0.34 1.64 0.15 -1.26 -0.96 113.70 115.55 3ab4 s SER 244 Ca 0.74 0.98 0.24 0.00 0.70 0.00 0.00 55.95 58.61 3ab4 s SER 244 Cb -0.03 -2.30 1.24 0.00 -1.71 0.00 0.00 66.02 63.21 3ab4 s SER 244 CO 0.52 0.15 1.74 0.00 1.20 0.00 0.00 173.24 176.85 3ab4 h MET 245 N 5.64 0.00 -0.93 5.44 -0.00 -1.96 0.10 114.93 123.22 3ab4 h MET 245 Ca -0.46 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.31 3ab4 h MET 245 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.73 3ab4 h MET 245 CO 0.69 0.00 0.59 1.49 -0.00 0.00 0.00 176.91 179.67 3ab4 h GLU 246 N 0.00 1.02 -0.52 -0.10 4.81 -2.01 -3.05 114.58 114.73 3ab4 h GLU 246 Ca 0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ab4 h GLU 246 Cb 0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3ab4 h GLU 246 CO 0.00 0.67 0.03 -0.25 -0.73 0.00 0.00 179.01 178.73 3ab4 n ASP 247 N -4.58 5.20 -4.68 1.04 9.92 0.35 -4.86 116.55 118.94 3ab4 n ASP 247 Ca 0.14 -3.00 -0.41 0.00 -0.53 0.00 0.00 54.79 51.00 3ab4 n ASP 247 Cb 0.20 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 39.97 3ab4 n ASP 247 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ab4 s ILE 248 N -2.82 4.97 0.34 0.53 1.01 -1.15 -4.95 121.20 119.12 3ab4 s ILE 248 Ca 0.52 1.43 -0.29 0.00 0.00 0.00 0.00 60.65 62.31 3ab4 s ILE 248 Cb 0.40 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.72 3ab4 s ILE 248 CO 0.14 0.10 1.43 -2.16 0.00 0.00 0.00 174.94 174.46 3ab4 s PRO 249 N 1.78 4.21 0.39 2.79 0.04 -1.26 -4.80 135.00 138.15 3ab4 s PRO 249 Ca 0.35 2.43 0.22 0.00 0.04 0.00 0.00 61.00 64.03 3ab4 s PRO 249 Cb -0.16 -3.02 1.25 0.00 0.04 0.00 0.00 34.50 32.60 3ab4 s PRO 249 CO 0.13 -0.42 1.66 0.28 0.04 0.00 0.00 177.00 178.69 3ab4 h VAL 250 N 3.10 0.24 0.00 -0.36 2.07 -1.96 0.24 116.25 119.58 3ab4 h VAL 250 Ca -0.49 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3ab4 h VAL 250 Cb 1.23 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ab4 h VAL 250 CO 0.68 0.04 -0.61 -0.33 0.02 0.00 0.00 177.57 177.37 3ab4 h GLU 251 N 0.21 0.00 -0.00 1.57 3.07 -2.02 -2.92 114.58 114.48 3ab4 h GLU 251 Ca 0.75 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.61 3ab4 h GLU 251 Cb 2.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 3ab4 h GLU 251 CO -0.49 0.61 -0.37 0.39 -1.40 0.00 0.00 179.01 177.75 3ab4 n GLU 252 N -3.72 0.29 -2.33 2.33 1.02 0.77 -4.91 120.64 114.09 3ab4 n GLU 252 Ca -0.01 -0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.55 3ab4 n GLU 252 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 3ab4 n GLU 252 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ab4 s ALA 253 N -2.82 3.47 0.34 0.62 0.00 -0.73 -4.95 121.76 117.69 3ab4 s ALA 253 Ca 0.16 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3ab4 s ALA 253 Cb 0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 3ab4 s ALA 253 CO 0.62 -0.50 0.23 0.54 0.00 0.00 0.00 175.76 176.65 3ab4 s VAL 254 N 1.04 0.15 -0.00 0.00 0.11 -1.26 -4.40 120.40 116.04 3ab4 s VAL 254 Ca 0.61 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 57.48 3ab4 s VAL 254 Cb -0.32 -2.46 -0.06 0.00 -1.53 0.00 0.00 36.38 32.01 3ab4 s VAL 254 CO 0.30 0.00 0.49 -0.76 -3.33 0.00 0.00 175.10 171.79 3ab4 s LEU 255 N -3.41 4.45 -0.18 2.54 1.43 -1.26 -1.04 118.68 121.21 3ab4 s LEU 255 Ca 0.36 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 3ab4 s LEU 255 Cb 0.03 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 3ab4 s LEU 255 CO 0.23 0.23 -0.22 0.41 0.23 0.00 0.00 176.35 177.23 3ab4 n THR 256 N 2.22 0.96 -3.71 5.49 -1.04 0.03 -4.96 114.28 113.27 3ab4 n THR 256 Ca -0.11 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.05 61.56 3ab4 n THR 256 Cb 0.52 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 3ab4 n THR 256 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3ab4 s GLY 257 N -5.33 -0.22 -0.08 3.41 0.00 -1.01 -4.52 107.32 99.57 3ab4 s GLY 257 Ca -0.24 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.45 3ab4 s GLY 257 CO 0.31 -0.08 -0.24 0.14 0.00 0.00 0.00 173.10 173.24 3ab4 s VAL 258 N -3.86 1.98 0.12 1.40 1.01 0.42 -1.60 120.40 119.86 3ab4 s VAL 258 Ca 0.08 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3ab4 s VAL 258 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3ab4 s VAL 258 CO -0.01 0.55 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 3ab4 s ALA 259 N 0.11 1.50 -0.01 5.51 0.00 -0.69 -4.23 121.76 123.94 3ab4 s ALA 259 Ca -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3ab4 s ALA 259 Cb -0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3ab4 s ALA 259 CO 0.06 0.13 -0.06 0.99 0.00 0.00 0.00 175.76 176.88 3ab4 s THR 260 N -1.99 0.48 -0.04 0.00 2.01 -1.26 -0.72 115.64 114.12 3ab4 s THR 260 Ca 0.08 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 3ab4 s THR 260 Cb -0.06 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.06 3ab4 s THR 260 CO 0.03 0.15 0.05 -0.62 -0.69 0.00 0.00 174.62 173.54 3ab4 s ASP 261 N 0.02 0.90 -0.14 3.53 -1.08 0.22 -4.51 116.67 115.61 3ab4 s ASP 261 Ca 0.00 0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 3ab4 s ASP 261 Cb -0.04 -0.15 0.30 0.00 -1.46 0.00 0.00 42.92 41.57 3ab4 s ASP 261 CO -0.00 -0.21 1.16 0.29 0.52 0.00 0.00 175.17 176.92 3ab4 n LYS 262 N 4.99 1.29 -0.17 4.34 5.02 -1.26 -0.04 118.16 132.33 3ab4 n LYS 262 Ca -0.10 -2.63 0.09 0.00 -2.02 0.00 0.00 58.31 53.65 3ab4 n LYS 262 Cb 0.50 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.20 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ab4 n SER 263 N -1.39 3.16 -4.78 4.39 3.41 -1.26 -4.97 113.62 112.17 3ab4 n SER 263 Ca 0.16 -1.91 -0.29 0.00 -0.26 0.00 0.00 58.87 56.57 3ab4 n SER 263 Cb 0.65 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 3ab4 n SER 263 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 264 N -1.24 2.89 0.20 4.33 0.41 -1.26 -1.18 118.70 122.84 3ab4 s GLU 264 Ca 0.32 -0.75 0.07 0.00 -0.41 0.00 0.00 54.97 54.21 3ab4 s GLU 264 Cb 0.19 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.79 3ab4 s GLU 264 CO 0.26 0.54 0.03 0.00 -0.49 0.00 0.00 175.26 175.59 3ab4 s ALA 265 N -1.51 3.26 -0.19 5.21 0.00 0.14 -4.39 121.76 124.28 3ab4 s ALA 265 Ca 0.30 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3ab4 s ALA 265 Cb -0.11 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 3ab4 s ALA 265 CO 0.23 0.43 -0.10 0.21 0.00 0.00 0.00 175.76 176.52 3ab4 s LYS 266 N -3.16 3.29 -0.12 0.00 2.36 0.70 -1.03 119.74 121.78 3ab4 s LYS 266 Ca 0.29 -0.68 0.00 0.00 -2.55 0.00 0.00 55.97 53.03 3ab4 s LYS 266 Cb -0.09 -2.83 -0.02 0.00 -1.05 0.00 0.00 37.83 33.85 3ab4 s LYS 266 CO 0.20 -0.11 -0.13 0.08 1.55 0.00 0.00 175.35 176.94 3ab4 s VAL 267 N 1.20 3.09 -0.08 4.02 1.01 0.28 -1.53 120.40 128.39 3ab4 s VAL 267 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3ab4 s VAL 267 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3ab4 s VAL 267 CO -0.04 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 3ab4 s THR 268 N 0.16 1.72 -0.22 3.92 2.01 -0.73 -0.31 115.64 122.19 3ab4 s THR 268 Ca -0.07 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 3ab4 s THR 268 Cb -0.15 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 3ab4 s THR 268 CO 0.05 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 3ab4 s VAL 269 N 0.36 3.40 0.12 3.82 1.01 0.17 0.10 120.40 129.39 3ab4 s VAL 269 Ca -0.15 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3ab4 s VAL 269 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3ab4 s VAL 269 CO 0.06 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 175.01 3ab4 s LEU 270 N 1.42 4.06 -1.14 3.92 1.43 -0.76 -0.66 118.68 126.95 3ab4 s LEU 270 Ca 0.05 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3ab4 s LEU 270 Cb -0.14 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3ab4 s LEU 270 CO -0.03 0.10 0.96 0.61 0.23 0.00 0.00 176.35 178.22 3ab4 n GLY 271 N -0.13 -0.33 3.74 -3.19 0.00 -1.05 -2.20 105.19 102.05 3ab4 n GLY 271 Ca -0.07 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3ab4 n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ab4 s ILE 272 N -3.33 4.97 0.25 -0.61 1.01 0.85 -3.82 121.20 120.52 3ab4 s ILE 272 Ca 0.09 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3ab4 s ILE 272 Cb -0.04 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3ab4 s ILE 272 CO 0.68 0.36 1.22 -0.94 0.00 0.00 0.00 174.94 176.26 3ab4 s SER 273 N 0.17 7.03 -1.30 3.58 1.04 -1.26 -0.41 113.70 122.56 3ab4 s SER 273 Ca 0.32 2.37 -0.18 0.00 0.48 0.00 0.00 55.95 58.95 3ab4 s SER 273 Cb -0.18 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.36 3ab4 s SER 273 CO 0.17 -0.37 1.86 -0.67 0.98 0.00 0.00 173.24 175.21 3ab4 n ASP 274 N 1.80 4.45 -3.79 7.02 4.64 -1.21 -4.78 116.55 124.68 3ab4 n ASP 274 Ca 0.02 -2.87 -0.13 0.00 -1.38 0.00 0.00 54.79 50.43 3ab4 n ASP 274 Cb 0.44 -1.71 -0.09 0.00 -1.04 0.00 0.00 41.12 38.71 3ab4 n ASP 274 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3ab4 s LYS 275 N 4.32 0.59 0.27 -0.67 -0.14 -1.26 -5.05 119.74 117.80 3ab4 s LYS 275 Ca 0.54 -0.19 -0.30 0.00 -1.36 0.00 0.00 55.97 54.66 3ab4 s LYS 275 Cb 0.06 0.26 -0.13 0.00 -1.68 0.00 0.00 37.83 36.34 3ab4 s LYS 275 CO 0.06 -0.15 1.38 -2.30 -0.76 0.00 0.00 175.35 173.57 3ab4 n PRO 276 N 1.46 2.08 -0.01 -1.68 -0.02 -1.26 -2.72 135.00 132.85 3ab4 n PRO 276 Ca -0.21 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3ab4 n PRO 276 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3ab4 n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 277 N 1.77 0.81 0.15 -1.23 0.00 -1.26 -4.93 105.19 100.51 3ab4 n GLY 277 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3ab4 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 278 N 3.49 0.46 -0.95 1.61 4.39 -1.82 -2.99 114.58 118.77 3ab4 h GLU 278 Ca 0.00 -0.39 0.15 0.00 0.34 0.00 0.00 59.36 59.46 3ab4 h GLU 278 Cb 0.00 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.64 3ab4 h GLU 278 CO 0.00 1.03 0.57 0.00 -1.16 0.00 0.00 179.01 179.45 3ab4 h ALA 279 N 0.44 1.49 -0.82 3.43 0.00 -1.90 -2.66 119.26 119.24 3ab4 h ALA 279 Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ab4 h ALA 279 Cb 1.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3ab4 h ALA 279 CO 0.10 0.04 0.54 0.00 0.00 0.00 0.00 179.25 179.93 3ab4 h ALA 280 N 1.58 1.40 -0.31 0.00 0.00 -1.94 -2.56 119.26 117.44 3ab4 h ALA 280 Ca 0.51 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.41 3ab4 h ALA 280 Cb 0.67 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3ab4 h ALA 280 CO -0.33 0.55 0.04 0.87 0.00 0.00 0.00 179.25 180.38 3ab4 h LYS 281 N 1.12 0.14 -0.17 0.00 1.57 -1.34 -0.18 116.57 117.71 3ab4 h LYS 281 Ca 0.30 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3ab4 h LYS 281 Cb -0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3ab4 h LYS 281 CO -0.06 0.09 -0.10 0.28 -0.57 0.00 0.00 179.45 179.09 3ab4 h VAL 282 N 0.14 0.71 0.00 0.50 2.07 -1.50 -2.84 116.25 115.33 3ab4 h VAL 282 Ca 0.15 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.42 3ab4 h VAL 282 Cb 0.17 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ab4 h VAL 282 CO -0.21 0.00 -1.35 -0.26 0.02 0.00 0.00 177.57 175.76 3ab4 h PHE 283 N -0.09 0.00 -0.17 1.57 0.04 -1.39 -2.31 116.94 114.59 3ab4 h PHE 283 Ca 0.10 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3ab4 h PHE 283 Cb 0.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3ab4 h PHE 283 CO -0.24 0.99 0.04 -0.09 -0.60 0.00 0.00 178.31 178.41 3ab4 h ARG 284 N 0.00 0.11 -0.61 1.51 1.12 -1.07 0.35 114.38 115.78 3ab4 h ARG 284 Ca -0.15 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.69 3ab4 h ARG 284 Cb 1.89 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.79 3ab4 h ARG 284 CO 0.10 0.07 0.27 0.00 -3.11 0.00 0.00 179.97 177.30 3ab4 h ALA 285 N 1.12 1.33 -0.17 2.80 0.00 -1.49 0.63 119.26 123.49 3ab4 h ALA 285 Ca 0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3ab4 h ALA 285 Cb 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ab4 h ALA 285 CO -0.10 0.51 -0.56 -0.07 0.00 0.00 0.00 179.25 179.03 3ab4 h LEU 286 N 0.86 0.78 -0.44 0.00 3.38 -1.11 -3.10 115.31 115.69 3ab4 h LEU 286 Ca 0.21 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3ab4 h LEU 286 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ab4 h LEU 286 CO -0.02 1.25 0.08 0.00 0.09 0.00 0.00 178.44 179.83 3ab4 h ALA 287 N 0.55 0.58 -0.03 1.53 0.00 0.15 -0.78 119.26 121.26 3ab4 h ALA 287 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ab4 h ALA 287 Cb 1.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ab4 h ALA 287 CO 0.12 0.29 0.07 -0.44 0.00 0.00 0.00 179.25 179.29 3ab4 h ASP 288 N 0.58 0.00 -0.69 0.00 3.32 0.21 0.37 116.42 120.21 3ab4 h ASP 288 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ab4 h ASP 288 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3ab4 h ASP 288 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3ab4 n ALA 289 N -2.20 2.67 -3.06 3.45 0.00 -0.89 -4.96 120.51 115.52 3ab4 n ALA 289 Ca -0.02 -1.37 -0.22 0.00 0.00 0.00 0.00 53.44 51.83 3ab4 n ALA 289 Cb 0.15 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.63 3ab4 n ALA 289 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ab4 n GLU 290 N 1.40 -3.96 -2.94 0.00 -0.58 0.13 -4.94 120.64 109.75 3ab4 n GLU 290 Ca 0.24 0.73 -0.41 0.00 -0.42 0.00 0.00 57.16 57.31 3ab4 n GLU 290 Cb 0.71 -5.51 -0.04 0.00 -0.57 0.00 0.00 31.44 26.03 3ab4 n GLU 290 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3ab4 s ILE 291 N -3.03 4.92 -0.35 -3.67 1.01 -0.35 -5.00 121.20 114.73 3ab4 s ILE 291 Ca 0.30 1.55 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 3ab4 s ILE 291 Cb -0.14 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3ab4 s ILE 291 CO 0.36 0.07 1.42 0.20 0.00 0.00 0.00 174.94 177.00 3ab4 s ASN 292 N 1.11 6.43 -0.35 3.58 -0.87 -1.26 -4.58 114.94 119.00 3ab4 s ASN 292 Ca 0.37 1.07 -0.15 0.00 -1.57 0.00 0.00 52.86 52.58 3ab4 s ASN 292 Cb -0.17 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.52 3ab4 s ASN 292 CO 0.13 -1.31 0.37 -0.63 -2.57 0.00 0.00 177.10 173.09 3ab4 s ILE 293 N 5.13 5.16 0.24 0.60 -1.09 -1.26 -4.16 121.20 125.82 3ab4 s ILE 293 Ca 0.62 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 59.06 3ab4 s ILE 293 Cb -0.16 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 3ab4 s ILE 293 CO 0.29 -0.14 0.30 -0.62 -1.23 0.00 0.00 174.94 173.54 3ab4 s ASP 294 N 1.74 6.04 0.00 3.58 3.68 -0.86 -4.98 116.67 125.88 3ab4 s ASP 294 Ca 0.11 -0.04 0.00 0.00 2.13 0.00 0.00 52.55 54.76 3ab4 s ASP 294 Cb -0.17 -1.70 0.00 0.00 -1.45 0.00 0.00 42.92 39.60 3ab4 s ASP 294 CO 0.12 -0.05 0.00 0.80 0.13 0.00 0.00 175.17 176.16 3ab4 n MET 295 N -1.30 0.00 -4.55 4.34 0.00 -1.26 -3.13 117.12 111.22 3ab4 n MET 295 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.39 3ab4 n MET 295 Cb 0.57 -0.21 -0.14 0.00 0.00 0.00 0.00 33.22 33.43 3ab4 n MET 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3ab4 s VAL 296 N 0.00 1.22 -0.02 1.12 0.11 -1.26 -1.93 120.40 119.64 3ab4 s VAL 296 Ca 0.00 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 3ab4 s VAL 296 Cb 0.00 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 3ab4 s VAL 296 CO 0.00 0.18 0.01 -0.76 -3.33 0.00 0.00 175.10 171.21 3ab4 s LEU 297 N -0.78 1.28 -0.04 2.54 1.43 -0.31 -5.01 118.68 117.78 3ab4 s LEU 297 Ca 0.04 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3ab4 s LEU 297 Cb -0.07 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.06 3ab4 s LEU 297 CO 0.00 -0.09 0.07 -1.58 0.23 0.00 0.00 176.35 174.99 3ab4 s GLN 298 N 0.85 -0.02 0.36 1.70 0.74 -1.26 -1.60 119.66 120.42 3ab4 s GLN 298 Ca -0.08 0.32 0.07 0.00 0.05 0.00 0.00 55.36 55.73 3ab4 s GLN 298 Cb -0.11 -0.32 -0.02 0.00 1.10 0.00 0.00 33.01 33.67 3ab4 s GLN 298 CO -0.02 -0.23 0.39 1.21 -0.55 0.00 0.00 175.29 176.09 3ab4 s ASN 299 N 1.55 5.50 0.27 6.67 3.84 -1.26 -5.06 114.94 126.46 3ab4 s ASN 299 Ca -0.04 -0.43 -0.29 0.00 0.21 0.00 0.00 52.86 52.31 3ab4 s ASN 299 Cb -0.12 -0.95 -0.14 0.00 -0.55 0.00 0.00 41.25 39.48 3ab4 s ASN 299 CO -0.04 -0.47 1.03 0.55 -2.79 0.00 0.00 177.10 175.38 3ab4 n VAL 300 N -1.53 1.82 -1.73 -5.21 3.14 -1.26 -4.79 118.33 108.78 3ab4 n VAL 300 Ca 0.01 -0.46 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 3ab4 n VAL 300 Cb 0.59 -0.96 -0.01 0.00 -1.06 0.00 0.00 33.84 32.40 3ab4 n VAL 300 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 3ab4 n PHE 301 N 0.43 2.60 0.00 1.45 -1.74 -1.26 -5.00 117.46 113.94 3ab4 n PHE 301 Ca 0.11 0.41 0.00 0.00 -0.56 0.00 0.00 57.45 57.41 3ab4 n PHE 301 Cb 0.31 -2.51 0.00 0.00 1.52 0.00 0.00 39.48 38.80 3ab4 n PHE 301 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 3ab4 n SER 302 N 1.41 0.00 0.00 5.98 7.64 -1.26 -5.10 113.62 122.29 3ab4 n SER 302 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3ab4 n SER 302 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3ab4 n SER 302 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ab4 n ASP 305 N -0.27 0.00 -2.40 6.43 3.85 -1.26 -4.66 116.55 118.24 3ab4 n ASP 305 Ca 0.00 0.00 -0.18 0.00 -0.71 0.00 0.00 54.79 53.90 3ab4 n ASP 305 Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 3ab4 n ASP 305 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ab4 n GLY 306 N 0.00 3.19 3.19 6.12 0.00 -1.26 -4.82 105.19 111.61 3ab4 n GLY 306 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3ab4 n GLY 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab4 s THR 307 N 1.52 0.11 0.28 2.61 -4.23 -1.26 -3.32 115.64 111.34 3ab4 s THR 307 Ca 0.63 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 3ab4 s THR 307 Cb 0.26 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 3ab4 s THR 307 CO -0.02 -0.51 0.06 0.35 -0.54 0.00 0.00 174.62 173.96 3ab4 n THR 308 N 0.55 0.00 -4.12 3.99 -2.24 0.45 -4.31 114.28 108.60 3ab4 n THR 308 Ca -0.18 -1.50 -0.13 0.00 -2.27 0.00 0.00 64.05 59.97 3ab4 n THR 308 Cb 0.60 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 3ab4 n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ab4 s ASP 309 N -2.63 1.08 -0.05 3.42 1.01 -1.26 -0.10 116.67 118.13 3ab4 s ASP 309 Ca 0.08 -0.72 0.02 0.00 0.71 0.00 0.00 52.55 52.64 3ab4 s ASP 309 Cb 0.00 0.04 0.02 0.00 1.01 0.00 0.00 42.92 43.99 3ab4 s ASP 309 CO 0.06 -0.27 -0.07 -0.63 0.21 0.00 0.00 175.17 174.46 3ab4 s ILE 310 N -2.14 0.74 0.20 0.77 1.01 0.16 -4.40 121.20 117.55 3ab4 s ILE 310 Ca -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.49 3ab4 s ILE 310 Cb -0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3ab4 s ILE 310 CO -0.01 0.27 -0.13 0.42 0.00 0.00 0.00 174.94 175.48 3ab4 s THR 311 N 0.79 2.93 -0.03 2.92 -4.23 -0.63 0.42 115.64 117.82 3ab4 s THR 311 Ca -0.13 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 3ab4 s THR 311 Cb -0.15 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.28 3ab4 s THR 311 CO 0.02 -0.17 0.52 0.72 -0.54 0.00 0.00 174.62 175.17 3ab4 s PHE 312 N -1.84 -0.46 0.09 3.99 -0.12 0.58 -1.17 117.98 119.06 3ab4 s PHE 312 Ca 0.25 0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 57.85 3ab4 s PHE 312 Cb -0.08 0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 3ab4 s PHE 312 CO 0.14 -0.53 0.28 0.95 -0.05 0.00 0.00 175.22 176.02 3ab4 s THR 313 N -1.34 5.29 0.08 -4.49 -4.23 -0.81 -0.55 115.64 109.58 3ab4 s THR 313 Ca -0.12 -0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 3ab4 s THR 313 Cb -0.02 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 3ab4 s THR 313 CO 0.07 0.10 0.15 0.00 -0.54 0.00 0.00 174.62 174.39 3ab4 n PRO 315 N 0.01 1.33 0.00 0.00 -0.02 -1.26 0.26 135.00 135.33 3ab4 n PRO 315 Ca -0.15 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.00 3ab4 n PRO 315 Cb 0.62 -1.93 0.69 0.00 -0.02 0.00 0.00 33.50 32.86 3ab4 n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab4 h ARG 316 N 1.73 0.00 -0.52 -0.52 3.08 -1.42 -0.26 114.38 116.47 3ab4 h ARG 316 Ca -0.42 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.64 3ab4 h ARG 316 Cb 1.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 3ab4 h ARG 316 CO 0.58 0.00 0.35 0.77 -1.07 0.00 0.00 179.97 180.60 3ab4 h SER 317 N 0.00 0.58 0.91 7.04 0.02 -1.88 -2.86 113.55 117.37 3ab4 h SER 317 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3ab4 h SER 317 Cb 1.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3ab4 h SER 317 CO -0.00 0.42 -0.50 0.47 -1.14 0.00 0.00 176.83 176.07 3ab4 n ASP 318 N -4.46 0.67 -0.15 3.07 8.00 -0.13 -4.27 116.55 119.28 3ab4 n ASP 318 Ca 0.05 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.83 3ab4 n ASP 318 Cb 0.07 0.01 0.46 0.00 -0.02 0.00 0.00 41.12 41.64 3ab4 n ASP 318 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ab4 h GLY 319 N 4.58 0.76 0.36 0.44 0.00 -1.25 -0.69 103.07 107.27 3ab4 h GLY 319 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3ab4 h GLY 319 CO 0.00 0.11 -0.05 -0.09 0.00 0.00 0.00 176.54 176.51 3ab4 h ARG 320 N 0.50 -0.13 -0.94 4.80 1.12 -1.77 -2.23 114.38 115.73 3ab4 h ARG 320 Ca 0.33 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.27 3ab4 h ARG 320 Cb 0.61 0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.54 3ab4 h ARG 320 CO -0.11 0.37 0.61 -0.09 -3.11 0.00 0.00 179.97 177.64 3ab4 h ARG 321 N -0.78 1.05 -0.73 0.20 2.43 -1.76 -2.05 114.38 112.74 3ab4 h ARG 321 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3ab4 h ARG 321 Cb 0.57 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3ab4 h ARG 321 CO 0.02 0.70 0.33 0.00 -1.51 0.00 0.00 179.97 179.51 3ab4 h ALA 322 N 1.49 0.95 -0.37 2.80 0.00 -1.10 -1.93 119.26 121.11 3ab4 h ALA 322 Ca 0.40 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 322 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ab4 h ALA 322 CO -0.15 0.54 -0.30 0.52 0.00 0.00 0.00 179.25 179.86 3ab4 h MET 323 N 1.04 0.79 0.28 0.00 2.86 -1.08 -2.06 114.93 116.75 3ab4 h MET 323 Ca 0.25 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3ab4 h MET 323 Cb 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3ab4 h MET 323 CO -0.03 0.99 -0.13 0.93 1.06 0.00 0.00 176.91 179.73 3ab4 h GLU 324 N 0.67 -0.36 -0.19 1.72 5.08 -1.04 0.25 114.58 120.71 3ab4 h GLU 324 Ca 0.08 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3ab4 h GLU 324 Cb 0.84 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3ab4 h GLU 324 CO 0.07 -0.12 -0.20 0.82 -1.00 0.00 0.00 179.01 178.58 3ab4 h ILE 325 N -0.54 0.48 -0.46 3.13 1.08 -1.38 -2.10 117.51 117.71 3ab4 h ILE 325 Ca -0.04 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 3ab4 h ILE 325 Cb 0.40 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3ab4 h ILE 325 CO 0.06 0.00 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.24 3ab4 h LEU 326 N -0.23 0.98 -1.27 1.44 4.07 -1.28 -2.84 115.31 116.19 3ab4 h LEU 326 Ca 0.12 -0.40 -0.06 0.00 0.08 0.00 0.00 57.88 57.62 3ab4 h LEU 326 Cb 0.41 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3ab4 h LEU 326 CO -0.32 1.17 -0.17 0.11 -1.08 0.00 0.00 178.44 178.15 3ab4 h LYS 327 N 0.80 0.29 0.00 1.13 1.79 -0.27 -1.39 116.57 118.93 3ab4 h LYS 327 Ca 0.10 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3ab4 h LYS 327 Cb 0.79 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 3ab4 h LYS 327 CO 0.07 0.46 -0.32 0.36 -1.08 0.00 0.00 179.45 178.94 3ab4 n LYS 328 N -4.22 0.24 0.00 3.15 2.85 -0.81 -2.69 118.16 116.68 3ab4 n LYS 328 Ca -0.00 0.13 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 3ab4 n LYS 328 Cb 0.31 -1.71 0.35 0.00 -0.65 0.00 0.00 35.03 33.33 3ab4 n LYS 328 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3ab4 n LEU 329 N -2.10 0.75 -0.07 -5.58 4.77 -1.01 -3.98 117.00 109.79 3ab4 n LEU 329 Ca 0.05 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 3ab4 n LEU 329 Cb 0.42 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 3ab4 n LEU 329 CO 0.33 0.15 0.77 -0.61 -1.33 0.00 0.00 177.39 176.70 3ab4 h GLN 330 N 0.65 0.37 -6.65 3.23 4.15 -1.04 -3.32 115.11 112.49 3ab4 h GLN 330 Ca 0.00 -0.11 -0.57 0.00 0.77 0.00 0.00 58.65 58.74 3ab4 h GLN 330 Cb 0.49 -0.04 0.18 0.00 0.21 0.00 0.00 27.48 28.33 3ab4 h GLN 330 CO 0.00 0.55 -0.33 1.33 -1.93 0.00 0.00 178.83 178.45 3ab4 n VAL 331 N -4.69 2.10 -0.99 2.39 0.24 -1.24 -2.30 118.33 113.83 3ab4 n VAL 331 Ca -0.04 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3ab4 n VAL 331 Cb 0.22 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 3ab4 n VAL 331 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ab4 n GLN 332 N -0.67 -0.20 -0.96 7.34 6.02 -1.26 -4.36 117.38 123.29 3ab4 n GLN 332 Ca 0.11 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3ab4 n GLN 332 Cb 0.49 -3.15 0.00 0.00 1.02 0.00 0.00 30.24 28.60 3ab4 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ab4 n GLY 333 N -2.46 0.81 0.31 1.08 0.00 -0.97 -4.89 105.19 99.07 3ab4 n GLY 333 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 3ab4 n GLY 333 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ab4 h ASN 334 N 0.00 0.00 -3.60 1.61 2.35 -1.67 -3.45 115.58 110.82 3ab4 h ASN 334 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3ab4 h ASN 334 Cb 0.02 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.14 3ab4 h ASN 334 CO 0.00 0.01 0.57 -1.66 -1.65 0.00 0.00 177.43 174.70 3ab4 s TRP 335 N -3.97 -0.36 0.11 1.19 -2.14 -1.26 -4.60 118.94 107.92 3ab4 s TRP 335 Ca -0.02 0.72 0.32 0.00 2.66 0.00 0.00 56.10 59.78 3ab4 s TRP 335 Cb 0.11 0.43 1.29 0.00 -3.10 0.00 0.00 33.47 32.20 3ab4 s TRP 335 CO 0.48 -0.26 1.96 1.79 -2.66 0.00 0.00 176.95 178.26 3ab4 h THR 336 N 2.90 0.11 -1.76 0.66 1.35 -1.54 -3.44 112.91 111.18 3ab4 h THR 336 Ca -0.21 -0.62 0.26 0.00 -0.55 0.00 0.00 66.41 65.28 3ab4 h THR 336 Cb 1.17 1.55 -0.12 0.00 -1.73 0.00 0.00 68.15 69.02 3ab4 h THR 336 CO 0.23 0.04 0.70 0.21 -0.25 0.00 0.00 175.52 176.45 3ab4 s ASN 337 N -5.79 -0.13 -0.22 5.36 3.84 -1.25 -5.02 114.94 111.73 3ab4 s ASN 337 Ca 0.01 -0.17 -0.04 0.00 0.21 0.00 0.00 52.86 52.87 3ab4 s ASN 337 Cb 0.09 0.26 0.11 0.00 -0.55 0.00 0.00 41.25 41.17 3ab4 s ASN 337 CO 0.56 -0.48 0.32 0.54 -2.79 0.00 0.00 177.10 175.26 3ab4 s VAL 338 N -2.71 -0.50 0.25 -5.21 0.11 -1.26 -1.83 120.40 109.24 3ab4 s VAL 338 Ca 0.12 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 3ab4 s VAL 338 Cb 0.02 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 34.07 3ab4 s VAL 338 CO -0.03 -0.11 0.60 -0.76 -3.33 0.00 0.00 175.10 171.48 3ab4 s LEU 339 N 2.47 4.14 -0.03 2.54 1.43 0.11 -4.92 118.68 124.43 3ab4 s LEU 339 Ca 0.09 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 3ab4 s LEU 339 Cb -0.15 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3ab4 s LEU 339 CO -0.14 -0.11 -0.12 -0.47 0.23 0.00 0.00 176.35 175.75 3ab4 s TYR 340 N -1.85 1.18 -0.25 0.29 5.04 -1.26 -1.77 117.35 118.72 3ab4 s TYR 340 Ca 0.49 -0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 3ab4 s TYR 340 Cb -0.11 -0.82 0.13 0.00 0.35 0.00 0.00 41.96 41.51 3ab4 s TYR 340 CO 0.20 -0.11 0.31 0.34 -1.34 0.00 0.00 175.55 174.94 3ab4 s ASP 341 N 0.12 1.10 -0.37 4.32 3.68 -0.58 -5.01 116.67 119.93 3ab4 s ASP 341 Ca -0.03 -0.32 0.07 0.00 2.13 0.00 0.00 52.55 54.40 3ab4 s ASP 341 Cb -0.09 0.68 0.61 0.00 -1.45 0.00 0.00 42.92 42.67 3ab4 s ASP 341 CO 0.01 -0.35 1.71 -0.90 0.13 0.00 0.00 175.17 175.77 3ab4 n ASP 342 N 5.33 3.30 -1.37 -0.34 5.75 -1.26 -0.22 116.55 127.75 3ab4 n ASP 342 Ca -0.03 -3.64 -0.01 0.00 -0.01 0.00 0.00 54.79 51.10 3ab4 n ASP 342 Cb 0.48 -0.74 0.11 0.00 -1.03 0.00 0.00 41.12 39.94 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ab4 n GLN 343 N -1.05 1.58 -3.90 0.11 6.02 -1.26 -4.90 117.38 113.99 3ab4 n GLN 343 Ca 0.46 -3.16 -0.36 0.00 -0.01 0.00 0.00 57.00 53.94 3ab4 n GLN 343 Cb 1.37 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 31.23 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ab4 s VAL 344 N -2.73 5.29 0.13 5.09 0.11 -1.26 -1.51 120.40 125.52 3ab4 s VAL 344 Ca 0.38 0.13 0.10 0.00 -2.93 0.00 0.00 61.98 59.67 3ab4 s VAL 344 Cb 0.38 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 3ab4 s VAL 344 CO -0.07 0.55 -0.22 -0.83 -3.33 0.00 0.00 175.10 171.19 3ab4 s GLY 345 N -0.45 1.64 -0.15 6.54 0.00 -0.17 -4.51 107.32 110.22 3ab4 s GLY 345 Ca 0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 3ab4 s GLY 345 CO 0.02 -1.41 -0.11 1.25 0.00 0.00 0.00 173.10 172.84 3ab4 s LYS 346 N -2.15 3.39 -0.06 2.90 2.20 0.95 -0.98 119.74 125.98 3ab4 s LYS 346 Ca 0.16 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 3ab4 s LYS 346 Cb -0.10 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.53 3ab4 s LYS 346 CO 0.08 0.15 -0.11 0.54 -0.36 0.00 0.00 175.35 175.65 3ab4 s VAL 347 N 0.53 1.04 0.16 4.02 0.11 -0.70 -0.61 120.40 124.96 3ab4 s VAL 347 Ca -0.08 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 58.63 3ab4 s VAL 347 Cb -0.15 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 3ab4 s VAL 347 CO 0.04 0.34 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.55 3ab4 s SER 348 N 0.73 2.44 -0.10 3.54 0.01 0.10 -1.75 113.70 118.68 3ab4 s SER 348 Ca -0.14 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.26 3ab4 s SER 348 Cb -0.15 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 65.96 3ab4 s SER 348 CO 0.03 -0.11 -0.20 -0.22 0.41 0.00 0.00 173.24 173.15 3ab4 s LEU 349 N -2.82 1.94 0.14 2.44 2.96 0.04 -1.71 118.68 121.68 3ab4 s LEU 349 Ca 0.16 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3ab4 s LEU 349 Cb -0.04 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3ab4 s LEU 349 CO 0.05 0.10 -0.22 0.54 -1.32 0.00 0.00 176.35 175.50 3ab4 s VAL 350 N 0.58 1.95 0.00 1.68 0.11 -0.63 -1.48 120.40 122.62 3ab4 s VAL 350 Ca -0.14 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 3ab4 s VAL 350 Cb -0.17 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 3ab4 s VAL 350 CO 0.05 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 3ab4 n GLY 351 N 0.71 2.61 0.42 6.54 0.00 -0.58 -0.79 105.19 114.10 3ab4 n GLY 351 Ca -0.16 0.19 0.22 0.00 0.00 0.00 0.00 46.02 46.26 3ab4 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 h ALA 352 N 0.00 2.27 -1.01 4.61 0.00 -1.78 -1.95 119.26 121.40 3ab4 h ALA 352 Ca 0.00 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.13 3ab4 h ALA 352 Cb 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3ab4 h ALA 352 CO 0.00 -0.91 0.64 0.78 0.00 0.00 0.00 179.25 179.76 3ab4 h GLY 353 N 0.00 1.43 2.00 0.00 0.00 -1.29 -1.83 103.07 103.38 3ab4 h GLY 353 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ab4 h GLY 353 CO -0.00 -0.13 0.00 1.15 0.00 0.00 0.00 176.54 177.55 3ab4 n MET 354 N -4.69 0.25 -0.05 4.80 3.85 -0.73 -3.58 117.12 116.96 3ab4 n MET 354 Ca 0.25 0.24 -0.08 0.00 -1.00 0.00 0.00 57.70 57.11 3ab4 n MET 354 Cb 0.78 -1.81 -0.02 0.00 -1.05 0.00 0.00 33.22 31.12 3ab4 n MET 354 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3ab4 h LYS 355 N 0.00 0.03 -0.29 3.17 3.64 -1.49 -3.12 116.57 118.51 3ab4 h LYS 355 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ab4 h LYS 355 Cb 0.69 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3ab4 h LYS 355 CO 0.00 0.02 0.00 0.43 -2.27 0.00 0.00 179.45 177.63 3ab4 n SER 356 N -5.18 3.05 -4.17 4.20 7.64 -1.25 -4.93 113.62 112.99 3ab4 n SER 356 Ca -0.02 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.63 3ab4 n SER 356 Cb 0.13 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 3ab4 n SER 356 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3ab4 s HIS 357 N -1.31 3.18 0.62 1.43 3.76 -1.18 -5.01 115.29 116.78 3ab4 s HIS 357 Ca 0.30 -1.82 0.34 0.00 -0.15 0.00 0.00 55.06 53.73 3ab4 s HIS 357 Cb 0.18 -2.06 1.92 0.00 1.11 0.00 0.00 32.58 33.73 3ab4 s HIS 357 CO 0.25 -0.79 2.19 -1.35 -0.85 0.00 0.00 174.74 174.19 3ab4 h PRO 358 N 7.97 0.00 -0.00 8.40 0.11 -1.91 -3.33 132.00 143.23 3ab4 h PRO 358 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ab4 h PRO 358 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ab4 h PRO 358 CO 0.54 0.00 -0.13 0.41 -0.21 0.00 0.00 178.00 178.61 3ab4 n GLY 359 N -1.27 -1.16 0.08 -0.55 0.00 -1.26 -4.60 105.19 96.44 3ab4 n GLY 359 Ca -0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 3ab4 n GLY 359 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ab4 h VAL 360 N 0.28 1.65 -0.75 1.61 3.04 -1.94 -2.58 116.25 117.57 3ab4 h VAL 360 Ca 0.00 -2.14 0.16 0.00 -1.01 0.00 0.00 66.70 63.70 3ab4 h VAL 360 Cb 0.40 3.07 -0.11 0.00 -2.01 0.00 0.00 31.29 32.64 3ab4 h VAL 360 CO 0.00 0.57 0.22 0.74 -1.01 0.00 0.00 177.57 178.09 3ab4 h THR 361 N -0.71 0.55 0.11 3.17 2.02 -1.89 -0.42 112.91 115.73 3ab4 h THR 361 Ca -0.03 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.06 3ab4 h THR 361 Cb 1.04 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3ab4 h THR 361 CO 0.04 0.06 -0.34 0.00 0.37 0.00 0.00 175.52 175.64 3ab4 h ALA 362 N 1.60 -0.58 -0.47 6.16 0.00 -1.82 0.34 119.26 124.49 3ab4 h ALA 362 Ca 0.42 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.35 3ab4 h ALA 362 Cb 0.71 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3ab4 h ALA 362 CO -0.48 -0.89 0.15 0.93 0.00 0.00 0.00 179.25 178.95 3ab4 h GLU 363 N -0.56 0.30 0.21 0.00 5.08 -1.08 0.06 114.58 118.58 3ab4 h GLU 363 Ca 0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3ab4 h GLU 363 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3ab4 h GLU 363 CO -0.21 0.20 -0.26 0.35 -1.00 0.00 0.00 179.01 178.08 3ab4 h PHE 364 N 0.30 -0.70 -0.32 4.33 3.57 -0.76 0.47 116.94 123.84 3ab4 h PHE 364 Ca 0.23 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3ab4 h PHE 364 Cb 0.26 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3ab4 h PHE 364 CO -0.18 -0.38 0.17 0.52 -2.23 0.00 0.00 178.31 176.21 3ab4 h MET 365 N -0.53 0.45 -0.87 1.11 2.86 -0.80 -2.66 114.93 114.49 3ab4 h MET 365 Ca 0.01 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3ab4 h MET 365 Cb 0.51 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 3ab4 h MET 365 CO -0.09 0.39 0.55 0.93 1.06 0.00 0.00 176.91 179.75 3ab4 h GLU 366 N 0.39 1.02 -0.48 1.72 5.08 -0.72 -0.75 114.58 120.83 3ab4 h GLU 366 Ca 0.11 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3ab4 h GLU 366 Cb 0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3ab4 h GLU 366 CO -0.02 0.68 0.29 0.00 -1.00 0.00 0.00 179.01 178.96 3ab4 h ALA 367 N 1.38 0.62 -0.28 3.43 0.00 0.27 -2.01 119.26 122.66 3ab4 h ALA 367 Ca 0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3ab4 h ALA 367 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ab4 h ALA 367 CO -0.14 -0.02 -0.42 -0.07 0.00 0.00 0.00 179.25 178.61 3ab4 h LEU 368 N 0.58 0.74 -1.58 0.00 4.07 -1.19 -2.66 115.31 115.26 3ab4 h LEU 368 Ca 0.19 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 3ab4 h LEU 368 Cb 0.02 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3ab4 h LEU 368 CO -0.09 1.06 0.02 0.08 -1.08 0.00 0.00 178.44 178.43 3ab4 h ARG 369 N 0.56 0.28 0.00 1.13 0.11 -0.89 -2.50 114.38 113.07 3ab4 h ARG 369 Ca 0.04 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 3ab4 h ARG 369 Cb 0.96 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 3ab4 h ARG 369 CO 0.09 0.29 -0.74 -0.44 0.10 0.00 0.00 179.97 179.27 3ab4 h ASP 370 N 0.28 0.00 -3.27 0.08 3.32 -1.02 -3.37 116.42 112.44 3ab4 h ASP 370 Ca 0.07 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.66 3ab4 h ASP 370 Cb 0.16 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.77 3ab4 h ASP 370 CO 0.00 0.36 0.11 -0.69 -1.72 0.00 0.00 179.24 177.30 3ab4 s VAL 371 N -3.06 2.78 -0.84 -1.35 1.01 -1.14 -5.02 120.40 112.79 3ab4 s VAL 371 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3ab4 s VAL 371 Cb 0.08 -3.12 0.35 0.00 0.00 0.00 0.00 36.38 33.69 3ab4 s VAL 371 CO 0.76 -0.11 1.81 0.59 0.00 0.00 0.00 175.10 178.15 3ab4 n ASN 372 N -2.61 7.00 -4.60 3.32 3.02 -1.25 -4.72 115.26 115.42 3ab4 n ASN 372 Ca 0.07 -3.78 -0.34 0.00 -0.03 0.00 0.00 54.58 50.50 3ab4 n ASN 372 Cb 0.59 -1.00 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 3ab4 n ASN 372 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ab4 s VAL 373 N -4.90 4.27 -0.06 2.41 0.11 -0.95 -5.04 120.40 116.24 3ab4 s VAL 373 Ca 0.48 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 59.15 3ab4 s VAL 373 Cb 0.36 -2.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 3ab4 s VAL 373 CO -0.30 0.53 0.36 0.21 -3.33 0.00 0.00 175.10 172.57 3ab4 s ASN 374 N -0.11 6.67 -0.36 3.54 2.47 -1.26 -4.24 114.94 121.65 3ab4 s ASN 374 Ca 0.04 0.80 -0.23 0.00 0.42 0.00 0.00 52.86 53.89 3ab4 s ASN 374 Cb -0.13 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.46 3ab4 s ASN 374 CO 0.02 0.25 0.78 -0.63 -3.72 0.00 0.00 177.10 173.80 3ab4 s ILE 375 N -0.58 4.74 -0.13 -5.21 -1.09 -1.26 -4.70 121.20 112.97 3ab4 s ILE 375 Ca 0.22 0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 59.42 3ab4 s ILE 375 Cb -0.15 -4.21 -0.26 0.00 -1.58 0.00 0.00 42.46 36.26 3ab4 s ILE 375 CO 0.10 -0.43 0.36 -0.62 -1.23 0.00 0.00 174.94 173.12 3ab4 n GLU 376 N 6.41 0.74 -3.97 2.79 1.02 -0.68 -4.97 120.64 121.98 3ab4 n GLU 376 Ca 0.03 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 3ab4 n GLU 376 Cb 0.48 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 3ab4 n GLU 376 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ab4 s LEU 377 N -7.16 2.13 -0.02 -4.62 0.20 -1.18 -4.96 118.68 103.07 3ab4 s LEU 377 Ca -0.23 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.12 3ab4 s LEU 377 Cb 0.06 0.21 0.01 0.00 -0.43 0.00 0.00 46.19 46.04 3ab4 s LEU 377 CO 0.75 -0.34 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.78 3ab4 s ILE 378 N -1.64 0.54 0.11 6.68 1.01 -1.26 -2.09 121.20 124.55 3ab4 s ILE 378 Ca -0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 3ab4 s ILE 378 Cb -0.08 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 3ab4 s ILE 378 CO -0.01 0.18 0.07 -0.94 0.00 0.00 0.00 174.94 174.24 3ab4 s SER 379 N 0.24 0.31 0.14 3.58 1.04 -0.56 -5.02 113.70 113.43 3ab4 s SER 379 Ca -0.03 -1.07 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 3ab4 s SER 379 Cb -0.07 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3ab4 s SER 379 CO -0.00 -0.71 0.28 0.42 0.98 0.00 0.00 173.24 174.21 3ab4 s THR 380 N -3.99 0.08 0.38 2.02 -4.23 -1.26 -1.31 115.64 107.33 3ab4 s THR 380 Ca 0.17 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 3ab4 s THR 380 Cb 0.07 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 3ab4 s THR 380 CO -0.03 -0.38 0.08 -0.94 -0.54 0.00 0.00 174.62 172.82 3ab4 s SER 381 N -2.93 2.74 0.42 3.99 1.04 -0.64 -4.99 113.70 113.32 3ab4 s SER 381 Ca 0.13 -1.53 0.21 0.00 0.48 0.00 0.00 55.95 55.23 3ab4 s SER 381 Cb 0.03 0.23 1.17 0.00 0.10 0.00 0.00 66.02 67.55 3ab4 s SER 381 CO -0.04 -0.77 1.78 -0.08 0.98 0.00 0.00 173.24 175.11 3ab4 h GLU 382 N 1.90 0.32 0.00 4.02 4.81 -2.01 -2.46 114.58 121.16 3ab4 h GLU 382 Ca -0.39 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3ab4 h GLU 382 Cb 1.26 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 3ab4 h GLU 382 CO 0.64 0.21 -0.54 0.44 -0.73 0.00 0.00 179.01 179.04 3ab4 n ILE 383 N -4.57 1.51 -3.72 2.32 -5.35 -1.26 -4.17 119.36 104.13 3ab4 n ILE 383 Ca 0.25 -2.37 -0.12 0.00 -0.27 0.00 0.00 62.75 60.25 3ab4 n ILE 383 Cb 0.93 0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.81 3ab4 n ILE 383 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 384 N -2.23 0.44 -0.18 6.28 3.52 -0.93 -1.52 118.95 124.33 3ab4 s ARG 384 Ca 0.34 0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 56.57 3ab4 s ARG 384 Cb 0.34 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.83 3ab4 s ARG 384 CO -0.07 -0.10 -0.04 0.42 -0.81 0.00 0.00 175.30 174.69 3ab4 s ILE 385 N 0.73 3.63 0.03 4.11 1.01 -0.55 -1.62 121.20 128.54 3ab4 s ILE 385 Ca -0.04 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.26 3ab4 s ILE 385 Cb -0.05 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3ab4 s ILE 385 CO -0.05 0.46 -0.26 -0.44 0.00 0.00 0.00 174.94 174.65 3ab4 s SER 386 N 0.82 3.20 -0.02 3.58 0.01 -0.43 -0.78 113.70 120.08 3ab4 s SER 386 Ca -0.01 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 3ab4 s SER 386 Cb -0.15 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.76 3ab4 s SER 386 CO 0.02 0.27 0.06 -0.69 0.41 0.00 0.00 173.24 173.30 3ab4 s VAL 387 N -0.77 0.02 -0.13 3.43 1.01 -0.72 -1.50 120.40 121.73 3ab4 s VAL 387 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3ab4 s VAL 387 Cb -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3ab4 s VAL 387 CO 0.02 -0.09 0.26 -0.76 0.00 0.00 0.00 175.10 174.53 3ab4 s LEU 388 N -0.24 4.31 0.31 3.92 1.43 -0.89 -1.71 118.68 125.80 3ab4 s LEU 388 Ca -0.03 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3ab4 s LEU 388 Cb -0.02 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3ab4 s LEU 388 CO 0.00 0.21 0.33 0.27 0.23 0.00 0.00 176.35 177.40 3ab4 s ILE 389 N -0.12 0.00 0.24 -0.59 -0.00 -0.15 -1.68 121.20 118.90 3ab4 s ILE 389 Ca 0.16 -1.83 -0.30 0.00 -0.00 0.00 0.00 60.65 58.68 3ab4 s ILE 389 Cb -0.13 -2.53 -0.10 0.00 -0.00 0.00 0.00 42.46 39.70 3ab4 s ILE 389 CO 0.05 0.00 1.44 -0.13 -0.00 0.00 0.00 174.94 176.29 3ab4 s ARG 390 N -3.45 4.27 0.46 0.37 1.81 -1.26 -1.00 118.95 120.15 3ab4 s ARG 390 Ca 0.36 2.29 0.22 0.00 -1.72 0.00 0.00 55.73 56.88 3ab4 s ARG 390 Cb 0.02 -3.11 1.21 0.00 -0.45 0.00 0.00 34.95 32.62 3ab4 s ARG 390 CO 0.22 -0.42 1.88 1.49 -0.68 0.00 0.00 175.30 177.79 3ab4 h GLU 391 N 5.08 0.26 -0.19 3.54 4.81 -1.53 -0.02 114.58 126.52 3ab4 h GLU 391 Ca -0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3ab4 h GLU 391 Cb 1.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3ab4 h GLU 391 CO 0.78 0.17 0.08 -0.44 -0.73 0.00 0.00 179.01 178.87 3ab4 h ASP 392 N 0.26 0.23 0.01 1.04 3.32 -1.90 -2.32 116.42 117.06 3ab4 h ASP 392 Ca 0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ab4 h ASP 392 Cb 1.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3ab4 h ASP 392 CO -0.11 0.20 -0.01 0.47 -1.72 0.00 0.00 179.24 178.07 3ab4 n ASP 393 N -4.47 1.06 0.14 6.45 10.43 -0.03 -4.61 116.55 125.53 3ab4 n ASP 393 Ca -0.00 -1.33 -0.13 0.00 2.57 0.00 0.00 54.79 55.90 3ab4 n ASP 393 Cb 0.11 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 42.99 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3ab4 h LEU 394 N 1.65 -0.31 -0.29 0.64 5.85 -1.34 -1.22 115.31 120.30 3ab4 h LEU 394 Ca 0.00 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3ab4 h LEU 394 Cb 0.36 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3ab4 h LEU 394 CO 0.00 0.05 -0.04 0.44 -0.34 0.00 0.00 178.44 178.55 3ab4 h ASP 395 N -0.70 -0.20 0.05 1.25 3.32 -1.81 -1.36 116.42 116.97 3ab4 h ASP 395 Ca -0.04 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3ab4 h ASP 395 Cb 0.48 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3ab4 h ASP 395 CO 0.06 -0.06 -0.17 0.00 -1.72 0.00 0.00 179.24 177.35 3ab4 h ALA 396 N 1.27 1.44 -0.29 3.45 0.00 -1.86 -1.33 119.26 121.94 3ab4 h ALA 396 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ab4 h ALA 396 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ab4 h ALA 396 CO -0.27 0.39 0.07 0.00 0.00 0.00 0.00 179.25 179.45 3ab4 h ALA 397 N 1.60 0.39 -0.69 0.00 0.00 -0.44 0.96 119.26 121.09 3ab4 h ALA 397 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ab4 h ALA 397 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ab4 h ALA 397 CO 0.03 0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.48 3ab4 h ALA 398 N 0.90 0.98 0.06 0.00 0.00 -0.96 0.26 119.26 120.50 3ab4 h ALA 398 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ab4 h ALA 398 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ab4 h ALA 398 CO 0.00 0.66 -0.03 -0.09 0.00 0.00 0.00 179.25 179.79 3ab4 h ARG 399 N 1.04 -0.07 0.00 0.00 9.65 -1.08 0.37 114.38 124.29 3ab4 h ARG 399 Ca 0.22 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 3ab4 h ARG 399 Cb 0.38 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.94 3ab4 h ARG 399 CO 0.00 0.10 -0.19 0.00 2.80 0.00 0.00 179.97 182.68 3ab4 h ALA 400 N 0.70 -0.23 -0.04 2.80 0.00 -0.62 -2.36 119.26 119.51 3ab4 h ALA 400 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ab4 h ALA 400 Cb 0.20 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ab4 h ALA 400 CO 0.01 -0.68 -0.09 -0.07 0.00 0.00 0.00 179.25 178.43 3ab4 h LEU 401 N -0.30 -0.26 -0.61 0.00 -0.00 -0.81 -1.75 115.31 111.58 3ab4 h LEU 401 Ca 0.06 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.10 3ab4 h LEU 401 Cb 0.38 0.12 -0.10 0.00 -0.00 0.00 0.00 40.66 41.06 3ab4 h LEU 401 CO -0.17 -0.12 0.06 -0.74 -0.00 0.00 0.00 178.44 177.46 3ab4 h HIS 402 N -0.13 0.07 -0.02 1.13 2.76 -0.83 -2.06 115.15 116.08 3ab4 h HIS 402 Ca 0.05 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.05 3ab4 h HIS 402 Cb 0.19 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 3ab4 h HIS 402 CO -0.17 -0.11 -0.89 1.49 -1.30 0.00 0.00 177.93 176.95 3ab4 h GLU 403 N 0.18 0.38 -0.45 5.26 4.81 -1.28 -0.40 114.58 123.08 3ab4 h GLU 403 Ca 0.32 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3ab4 h GLU 403 Cb 0.51 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3ab4 h GLU 403 CO -0.47 1.06 0.06 0.37 -0.73 0.00 0.00 179.01 179.29 3ab4 h GLN 404 N 0.22 0.69 -0.58 1.92 5.75 -0.83 -1.31 115.11 120.97 3ab4 h GLN 404 Ca -0.06 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3ab4 h GLN 404 Cb 1.51 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.96 3ab4 h GLN 404 CO 0.15 0.67 0.00 1.19 -2.65 0.00 0.00 178.83 178.19 3ab4 n PHE 405 N -4.27 0.77 -4.06 3.99 3.72 -0.82 -4.96 117.46 111.84 3ab4 n PHE 405 Ca 0.03 -0.39 -0.29 0.00 -0.05 0.00 0.00 57.45 56.76 3ab4 n PHE 405 Cb 0.24 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.74 3ab4 n PHE 405 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ab4 n GLN 406 N 1.24 -2.28 0.00 -1.08 6.02 -0.50 -4.81 117.38 115.98 3ab4 n GLN 406 Ca 0.20 0.29 0.09 0.00 -0.01 0.00 0.00 57.00 57.57 3ab4 n GLN 406 Cb 0.51 -4.10 0.40 0.00 1.02 0.00 0.00 30.24 28.06 3ab4 n GLN 406 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ab4 n LEU 407 N -4.48 0.00 0.00 1.08 4.77 -0.24 -5.02 117.00 113.11 3ab4 n LEU 407 Ca -0.30 0.48 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3ab4 n LEU 407 Cb 0.68 -0.48 0.83 0.00 -2.33 0.00 0.00 43.42 42.12 3ab4 n LEU 407 CO 0.78 -0.18 1.00 0.61 -1.33 0.00 0.00 177.39 178.27