#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 3.39 -0.04 0.00 0.20 -1.26 0.84 118.68 121.81 3ab4 s LEU 3 Ca 0.00 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.70 3ab4 s LEU 3 Cb 0.00 -1.86 0.01 0.00 -0.43 0.00 0.00 46.19 43.91 3ab4 s LEU 3 CO 0.00 0.08 -0.09 0.54 -0.29 0.00 0.00 176.35 176.58 3ab4 s VAL 4 N 0.93 0.86 -0.01 1.68 0.11 -0.45 -0.47 120.40 123.05 3ab4 s VAL 4 Ca 0.02 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3ab4 s VAL 4 Cb -0.14 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3ab4 s VAL 4 CO 0.02 0.28 0.12 -0.69 -3.33 0.00 0.00 175.10 171.50 3ab4 s VAL 5 N 0.50 5.02 -0.03 2.04 1.01 -0.93 -2.13 120.40 125.87 3ab4 s VAL 5 Ca -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3ab4 s VAL 5 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3ab4 s VAL 5 CO 0.02 0.35 -0.10 -1.10 0.00 0.00 0.00 175.10 174.27 3ab4 s GLN 6 N -1.79 1.10 -0.10 2.72 -0.21 0.20 -0.38 119.66 121.19 3ab4 s GLN 6 Ca 0.24 -0.33 0.01 0.00 0.02 0.00 0.00 55.36 55.30 3ab4 s GLN 6 Cb -0.12 -1.00 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 3ab4 s GLN 6 CO 0.15 0.11 -0.13 0.21 -2.12 0.00 0.00 175.29 173.51 3ab4 s LYS 7 N 0.26 3.09 -0.16 2.91 2.36 0.78 0.54 119.74 129.52 3ab4 s LYS 7 Ca -0.05 -0.68 0.02 0.00 -2.55 0.00 0.00 55.97 52.71 3ab4 s LYS 7 Cb -0.10 -2.56 0.01 0.00 -1.05 0.00 0.00 37.83 34.14 3ab4 s LYS 7 CO 0.01 0.36 -0.20 0.71 1.55 0.00 0.00 175.35 177.78 3ab4 s TYR 8 N -0.04 2.73 1.07 4.03 2.02 -0.41 0.00 117.35 126.75 3ab4 s TYR 8 Ca -0.03 -1.46 -0.18 0.00 -0.37 0.00 0.00 57.07 55.03 3ab4 s TYR 8 Cb -0.14 -1.87 0.24 0.00 -0.40 0.00 0.00 41.96 39.79 3ab4 s TYR 8 CO 0.04 -0.70 1.23 0.20 -1.57 0.00 0.00 175.55 174.75 3ab4 s GLY 9 N 1.05 1.70 0.20 0.71 0.00 -0.96 -0.94 107.32 109.07 3ab4 s GLY 9 Ca -0.01 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 3ab4 s GLY 9 CO -0.07 -0.28 1.68 -1.33 0.00 0.00 0.00 173.10 173.10 3ab4 h GLY 10 N -2.07 1.15 0.24 0.20 0.00 -1.87 -2.91 103.07 97.81 3ab4 h GLY 10 Ca -0.44 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 46.15 3ab4 h GLY 10 CO 0.36 0.74 -0.18 1.48 0.00 0.00 0.00 176.54 178.93 3ab4 h SER 11 N 0.99 -0.59 -0.06 0.19 4.64 -1.94 -1.16 113.55 115.62 3ab4 h SER 11 Ca 0.19 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.64 3ab4 h SER 11 Cb 0.49 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3ab4 h SER 11 CO 0.02 -0.22 0.12 0.28 -0.87 0.00 0.00 176.83 176.16 3ab4 h SER 12 N -0.17 0.00 -0.28 4.97 0.02 -1.81 -2.47 113.55 113.81 3ab4 h SER 12 Ca 0.14 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3ab4 h SER 12 Cb 0.38 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3ab4 h SER 12 CO -0.36 0.00 -0.06 0.18 -1.14 0.00 0.00 176.83 175.45 3ab4 n LEU 13 N -3.43 3.85 0.00 5.07 4.77 -0.56 -4.18 117.00 122.53 3ab4 n LEU 13 Ca -0.01 -3.47 -0.10 0.00 -0.03 0.00 0.00 56.01 52.40 3ab4 n LEU 13 Cb 0.20 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 3ab4 n LEU 13 CO 0.23 1.02 0.80 -0.33 -1.33 0.00 0.00 177.39 177.77 3ab4 h GLU 14 N 1.17 -0.11 -4.78 3.23 5.08 -0.91 -3.37 114.58 114.90 3ab4 h GLU 14 Ca 0.12 0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.19 3ab4 h GLU 14 Cb 1.51 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.64 3ab4 h GLU 14 CO 0.29 -0.07 -0.63 -1.54 -1.00 0.00 0.00 179.01 176.05 3ab4 s SER 15 N -5.11 0.97 0.30 1.42 1.04 -1.26 -4.51 113.70 106.56 3ab4 s SER 15 Ca -0.14 -1.30 0.05 0.00 0.48 0.00 0.00 55.95 55.04 3ab4 s SER 15 Cb 0.09 0.19 0.74 0.00 0.10 0.00 0.00 66.02 67.15 3ab4 s SER 15 CO 0.67 -0.69 1.74 0.00 0.98 0.00 0.00 173.24 175.94 3ab4 h ALA 16 N 2.56 1.58 -0.31 5.32 0.00 -1.98 0.89 119.26 127.33 3ab4 h ALA 16 Ca -0.37 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3ab4 h ALA 16 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3ab4 h ALA 16 CO 0.60 -0.19 0.16 1.49 0.00 0.00 0.00 179.25 181.31 3ab4 h GLU 17 N 0.60 0.32 -0.13 0.00 4.81 -1.98 -0.38 114.58 117.82 3ab4 h GLU 17 Ca 0.57 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.67 3ab4 h GLU 17 Cb 0.99 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3ab4 h GLU 17 CO -0.44 0.21 -0.42 0.00 -0.73 0.00 0.00 179.01 177.63 3ab4 h ARG 18 N 0.33 0.30 0.00 1.92 2.47 -1.50 -1.93 114.38 115.98 3ab4 h ARG 18 Ca 0.13 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 3ab4 h ARG 18 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 3ab4 h ARG 18 CO -0.08 0.68 -0.23 0.82 0.56 0.00 0.00 179.97 181.72 3ab4 h ILE 19 N 0.25 0.98 0.11 2.04 2.04 -0.40 0.03 117.51 122.57 3ab4 h ILE 19 Ca 0.02 -0.83 -0.18 0.00 1.00 0.00 0.00 64.86 64.86 3ab4 h ILE 19 Cb 0.86 1.47 0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3ab4 h ILE 19 CO 0.07 0.22 -0.79 0.03 0.00 0.00 0.00 178.15 177.69 3ab4 h ARG 20 N 0.00 0.35 -0.67 2.37 3.08 -0.75 -1.69 114.38 117.07 3ab4 h ARG 20 Ca -0.00 -0.51 0.14 0.00 0.07 0.00 0.00 59.98 59.68 3ab4 h ARG 20 Cb 0.45 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.58 3ab4 h ARG 20 CO 0.03 1.22 0.08 -0.97 -1.07 0.00 0.00 179.97 179.25 3ab4 h ASN 21 N -0.27 -0.15 -0.27 7.04 -0.73 -1.07 0.14 115.58 120.27 3ab4 h ASN 21 Ca -0.13 0.15 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 3ab4 h ASN 21 Cb 1.58 0.24 -0.01 0.00 0.27 0.00 0.00 38.32 40.39 3ab4 h ASN 21 CO 0.15 -0.08 0.04 0.58 -0.37 0.00 0.00 177.43 177.74 3ab4 h VAL 22 N 0.18 1.24 -0.18 2.57 2.07 -1.03 -2.64 116.25 118.45 3ab4 h VAL 22 Ca 0.36 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3ab4 h VAL 22 Cb 0.60 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3ab4 h VAL 22 CO -0.52 0.26 0.01 0.00 0.02 0.00 0.00 177.57 177.34 3ab4 h ALA 23 N 0.86 1.68 -0.62 1.67 0.00 -0.31 -0.93 119.26 121.62 3ab4 h ALA 23 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3ab4 h ALA 23 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 23 CO 0.01 0.24 0.13 1.49 0.00 0.00 0.00 179.25 181.12 3ab4 h GLU 24 N 0.26 1.00 -0.44 0.00 4.81 -0.62 -2.31 114.58 117.28 3ab4 h GLU 24 Ca 0.06 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 3ab4 h GLU 24 Cb 0.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3ab4 h GLU 24 CO 0.00 0.92 -0.04 0.00 -0.73 0.00 0.00 179.01 179.16 3ab4 h ARG 25 N 0.91 0.81 0.09 1.92 3.08 -0.92 -1.53 114.38 118.75 3ab4 h ARG 25 Ca 0.19 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ab4 h ARG 25 Cb 0.38 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3ab4 h ARG 25 CO 0.01 0.89 -0.23 0.82 -1.07 0.00 0.00 179.97 180.39 3ab4 h ILE 26 N 0.65 0.48 -0.22 2.04 1.08 -1.10 -1.83 117.51 118.60 3ab4 h ILE 26 Ca 0.12 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.46 3ab4 h ILE 26 Cb 0.56 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3ab4 h ILE 26 CO 0.03 0.00 -0.40 0.58 -0.69 0.00 0.00 178.15 177.67 3ab4 h VAL 27 N -0.42 1.30 -0.94 1.67 2.07 -1.42 -1.91 116.25 116.61 3ab4 h VAL 27 Ca 0.03 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.04 3ab4 h VAL 27 Cb 0.45 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3ab4 h VAL 27 CO -0.15 0.49 0.60 0.00 0.02 0.00 0.00 177.57 178.54 3ab4 h ALA 28 N 1.14 1.28 -0.37 1.67 0.00 -1.10 0.18 119.26 122.06 3ab4 h ALA 28 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3ab4 h ALA 28 Cb 0.89 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ab4 h ALA 28 CO 0.08 0.41 -0.21 1.15 0.00 0.00 0.00 179.25 180.68 3ab4 h THR 29 N 1.12 1.28 -0.36 0.00 2.02 -0.68 -1.87 112.91 114.43 3ab4 h THR 29 Ca 0.40 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 66.26 3ab4 h THR 29 Cb 0.11 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3ab4 h THR 29 CO -0.15 0.45 0.15 0.50 0.37 0.00 0.00 175.52 176.84 3ab4 h LYS 30 N 0.59 0.32 0.00 6.66 1.63 -1.05 -3.09 116.57 121.63 3ab4 h LYS 30 Ca 0.08 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3ab4 h LYS 30 Cb 0.76 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 3ab4 h LYS 30 CO 0.06 0.21 -0.16 0.87 -3.45 0.00 0.00 179.45 176.98 3ab4 h LYS 31 N 0.33 0.00 0.00 1.90 1.57 -0.34 -0.62 116.57 119.40 3ab4 h LYS 31 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ab4 h LYS 31 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ab4 h LYS 31 CO -0.13 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 3ab4 n ALA 32 N -2.22 2.40 -0.99 3.86 0.00 -0.73 -4.89 120.51 117.94 3ab4 n ALA 32 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ab4 n ALA 32 Cb 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.74 0.84 3.50 0.00 0.00 -0.25 -4.93 105.19 105.10 3ab4 n GLY 33 Ca 0.17 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.26 4.00 0.36 1.61 -0.87 -1.17 -2.77 114.94 113.84 3ab4 s ASN 34 Ca 0.00 -0.45 -0.26 0.00 -1.57 0.00 0.00 52.86 50.57 3ab4 s ASN 34 Cb 0.00 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.25 40.48 3ab4 s ASN 34 CO 0.00 0.21 1.11 -1.81 -2.57 0.00 0.00 177.10 174.04 3ab4 s ASP 35 N -1.87 6.85 -0.03 -1.22 -0.00 0.25 -4.37 116.67 116.27 3ab4 s ASP 35 Ca 0.17 2.23 -0.01 0.00 -0.00 0.00 0.00 52.55 54.95 3ab4 s ASP 35 Cb -0.11 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.23 3ab4 s ASP 35 CO 0.09 -0.44 0.03 0.68 -0.00 0.00 0.00 175.17 175.54 3ab4 s VAL 36 N -1.40 -0.01 -0.08 -1.27 -7.23 -1.26 -1.35 120.40 107.80 3ab4 s VAL 36 Ca 0.53 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.97 3ab4 s VAL 36 Cb -0.28 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.51 3ab4 s VAL 36 CO 0.36 0.14 -0.12 0.54 -0.31 0.00 0.00 175.10 175.71 3ab4 s VAL 37 N 1.47 1.19 -0.08 1.32 0.11 -0.91 -2.23 120.40 121.27 3ab4 s VAL 37 Ca -0.04 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 3ab4 s VAL 37 Cb -0.13 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3ab4 s VAL 37 CO -0.03 0.38 -0.15 0.54 -3.33 0.00 0.00 175.10 172.51 3ab4 s VAL 38 N 0.95 2.96 -0.14 2.04 0.11 0.22 -0.63 120.40 125.91 3ab4 s VAL 38 Ca -0.09 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3ab4 s VAL 38 Cb -0.15 -2.19 -0.00 0.00 -1.53 0.00 0.00 36.38 32.51 3ab4 s VAL 38 CO 0.00 0.56 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.48 3ab4 s VAL 39 N -0.25 2.66 -0.04 2.04 1.01 0.19 -0.90 120.40 125.11 3ab4 s VAL 39 Ca 0.01 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3ab4 s VAL 39 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3ab4 s VAL 39 CO 0.03 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.48 3ab4 s SER 41 N -0.69 4.33 0.75 0.00 0.01 -0.11 -4.06 113.70 113.94 3ab4 s SER 41 Ca 0.11 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 3ab4 s SER 41 Cb -0.10 -1.04 0.04 0.00 0.21 0.00 0.00 66.02 65.13 3ab4 s SER 41 CO 0.00 -1.98 1.09 0.00 0.41 0.00 0.00 173.24 172.76 3ab4 s ALA 42 N -3.55 2.33 0.32 1.44 0.00 -1.26 -4.76 121.76 116.28 3ab4 s ALA 42 Ca 0.64 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 3ab4 s ALA 42 Cb -0.10 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 3ab4 s ALA 42 CO 0.49 -1.65 1.43 -1.64 0.00 0.00 0.00 175.76 174.39 3ab4 s MET 43 N -4.85 4.23 0.00 0.00 1.00 -1.26 -4.01 119.30 114.41 3ab4 s MET 43 Ca 0.61 2.39 0.00 0.00 0.00 0.00 0.00 55.69 58.69 3ab4 s MET 43 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 34.83 31.61 3ab4 s MET 43 CO 0.55 -0.40 0.00 0.41 0.00 0.00 0.00 175.02 175.57 3ab4 n GLY 44 N 1.24 0.00 3.64 -0.03 0.00 -0.55 -0.16 105.19 109.34 3ab4 n GLY 44 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 -0.30 1.61 8.00 -1.26 -4.89 116.55 119.71 3ab4 n ASP 45 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 3ab4 n ASP 45 Cb 0.00 -0.28 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.00 0.18 -0.40 -3.53 2.02 -0.84 0.46 112.91 110.81 3ab4 h THR 46 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3ab4 h THR 46 Cb 0.00 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3ab4 h THR 46 CO 0.00 0.01 0.21 0.71 0.37 0.00 0.00 175.52 176.82 3ab4 h THR 47 N 0.05 1.16 0.00 3.16 1.35 -1.88 0.45 112.91 117.20 3ab4 h THR 47 Ca 0.48 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3ab4 h THR 47 Cb 0.89 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3ab4 h THR 47 CO -0.81 0.17 -0.06 -0.90 -0.25 0.00 0.00 175.52 173.67 3ab4 n ASP 48 N -4.72 0.79 -0.12 5.36 3.85 -0.77 -0.80 116.55 120.15 3ab4 n ASP 48 Ca 0.00 0.53 -0.13 0.00 -0.71 0.00 0.00 54.79 54.49 3ab4 n ASP 48 Cb 0.09 -0.70 -0.03 0.00 -1.35 0.00 0.00 41.12 39.13 3ab4 n ASP 48 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3ab4 h GLU 49 N 0.00 0.83 -0.12 0.11 5.08 -0.02 -1.34 114.58 119.12 3ab4 h GLU 49 Ca 0.00 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 3ab4 h GLU 49 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3ab4 h GLU 49 CO 0.00 1.04 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.75 3ab4 h LEU 50 N 0.63 0.21 -0.31 1.33 4.07 0.32 -0.91 115.31 120.64 3ab4 h LEU 50 Ca 0.07 -0.06 -0.18 0.00 0.08 0.00 0.00 57.88 57.80 3ab4 h LEU 50 Cb 0.84 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 3ab4 h LEU 50 CO 0.07 0.45 -0.51 -0.07 -1.08 0.00 0.00 178.44 177.30 3ab4 h LEU 51 N 0.19 0.99 0.53 1.67 4.07 -0.90 -1.75 115.31 120.11 3ab4 h LEU 51 Ca 0.03 -0.52 -0.02 0.00 0.08 0.00 0.00 57.88 57.46 3ab4 h LEU 51 Cb 0.52 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 3ab4 h LEU 51 CO 0.04 1.32 -0.31 -0.33 -1.08 0.00 0.00 178.44 178.07 3ab4 h GLU 52 N 0.69 -0.77 -0.44 1.13 5.08 -0.98 -2.70 114.58 116.60 3ab4 h GLU 52 Ca 0.03 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3ab4 h GLU 52 Cb 1.12 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 3ab4 h GLU 52 CO 0.12 -0.51 0.12 -0.07 -1.00 0.00 0.00 179.01 177.66 3ab4 h LEU 53 N -0.80 0.09 -0.55 1.33 3.38 -1.19 -1.18 115.31 116.39 3ab4 h LEU 53 Ca -0.06 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ab4 h LEU 53 Cb 0.65 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3ab4 h LEU 53 CO 0.07 0.08 0.18 0.00 0.09 0.00 0.00 178.44 178.86 3ab4 h ALA 54 N 1.31 0.67 -0.09 1.53 0.00 -1.34 -0.12 119.26 121.21 3ab4 h ALA 54 Ca 0.21 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 54 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ab4 h ALA 54 CO -0.24 -0.23 -0.43 0.00 0.00 0.00 0.00 179.25 178.34 3ab4 h ALA 55 N 1.39 1.10 -0.09 0.00 0.00 -0.99 0.91 119.26 121.57 3ab4 h ALA 55 Ca 0.27 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3ab4 h ALA 55 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 55 CO -0.29 0.60 -0.68 0.00 0.00 0.00 0.00 179.25 178.87 3ab4 h ALA 56 N 1.38 0.66 0.00 0.00 0.00 -0.72 -2.93 119.26 117.64 3ab4 h ALA 56 Ca 0.01 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 3ab4 h ALA 56 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ab4 h ALA 56 CO 0.07 0.75 -0.69 0.28 0.00 0.00 0.00 179.25 179.65 3ab4 h VAL 57 N 0.28 1.42 -0.95 0.00 2.07 -0.59 -3.44 116.25 115.03 3ab4 h VAL 57 Ca -0.02 -2.43 0.12 0.00 0.82 0.00 0.00 66.70 65.18 3ab4 h VAL 57 Cb 1.24 2.34 -0.21 0.00 -1.52 0.00 0.00 31.29 33.14 3ab4 h VAL 57 CO 0.12 0.68 -0.19 0.21 0.02 0.00 0.00 177.57 178.41 3ab4 s ASN 58 N -6.73 -1.21 0.35 0.57 3.04 0.28 -5.07 114.94 106.17 3ab4 s ASN 58 Ca -0.00 0.83 0.05 0.00 0.04 0.00 0.00 52.86 53.77 3ab4 s ASN 58 Cb 0.11 2.04 0.71 0.00 -1.54 0.00 0.00 41.25 42.57 3ab4 s ASN 58 CO 0.77 -0.23 1.95 -0.65 -3.04 0.00 0.00 177.10 175.90 3ab4 h PRO 59 N 7.99 0.78 -3.41 0.43 0.11 -1.75 -3.14 132.00 133.00 3ab4 h PRO 59 Ca -0.21 -0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.17 3ab4 h PRO 59 Cb 1.16 -0.17 -0.37 0.00 0.11 0.00 0.00 31.00 31.73 3ab4 h PRO 59 CO 0.19 0.51 -0.33 0.08 -0.21 0.00 0.00 178.00 178.24 3ab4 s VAL 60 N -5.71 3.71 0.16 3.15 1.01 -1.26 -4.85 120.40 116.60 3ab4 s VAL 60 Ca -0.10 -3.43 -0.31 0.00 0.00 0.00 0.00 61.98 58.14 3ab4 s VAL 60 Cb 0.20 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 3ab4 s VAL 60 CO 0.78 -0.95 1.38 -2.84 0.00 0.00 0.00 175.10 173.47 3ab4 s PRO 61 N -0.65 4.33 0.05 2.72 0.02 -1.18 -4.93 135.00 135.36 3ab4 s PRO 61 Ca 0.21 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 3ab4 s PRO 61 Cb -0.15 -3.21 -0.08 0.00 0.02 0.00 0.00 34.50 31.08 3ab4 s PRO 61 CO -0.07 -0.39 1.79 -2.14 -0.33 0.00 0.00 177.00 175.86 3ab4 s PRO 62 N 0.55 4.16 0.46 5.54 0.02 -1.26 -4.87 135.00 139.61 3ab4 s PRO 62 Ca 0.62 2.45 0.32 0.00 0.02 0.00 0.00 61.00 64.41 3ab4 s PRO 62 Cb -0.38 -3.83 1.44 0.00 0.02 0.00 0.00 34.50 31.76 3ab4 s PRO 62 CO 0.34 -0.84 1.66 0.00 -0.33 0.00 0.00 177.00 177.83 3ab4 h ALA 63 N 9.26 2.88 0.00 -1.55 0.00 -1.97 0.21 119.26 128.09 3ab4 h ALA 63 Ca -0.45 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3ab4 h ALA 63 Cb 1.21 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3ab4 h ALA 63 CO 0.94 -1.43 -0.26 -0.09 0.00 0.00 0.00 179.25 178.41 3ab4 h ARG 64 N 0.11 0.00 0.00 0.00 9.65 -2.01 -1.23 114.38 120.90 3ab4 h ARG 64 Ca 0.77 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 59.50 3ab4 h ARG 64 Cb 2.56 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 31.11 3ab4 h ARG 64 CO -0.29 0.26 -1.68 0.39 2.80 0.00 0.00 179.97 181.45 3ab4 n GLU 65 N -4.02 0.64 0.21 0.20 -0.58 0.61 -3.97 120.64 113.73 3ab4 n GLU 65 Ca -0.02 0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.88 3ab4 n GLU 65 Cb 0.33 -1.70 0.47 0.00 -0.57 0.00 0.00 31.44 29.97 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 0.00 -0.10 3.49 2.86 -0.93 -2.33 114.93 117.92 3ab4 h MET 66 Ca -0.19 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 3ab4 h MET 66 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 3ab4 h MET 66 CO 0.03 0.28 -0.56 -0.44 1.06 0.00 0.00 176.91 177.28 3ab4 h ASP 67 N 0.00 0.33 -0.22 1.22 3.45 -1.36 -2.68 116.42 117.17 3ab4 h ASP 67 Ca -0.00 -0.18 -0.19 0.00 0.43 0.00 0.00 57.03 57.09 3ab4 h ASP 67 Cb 0.65 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3ab4 h ASP 67 CO 0.04 0.82 -0.60 0.24 -1.57 0.00 0.00 179.24 178.17 3ab4 h MET 68 N 0.23 0.83 0.27 3.56 2.86 -1.63 -2.30 114.93 118.75 3ab4 h MET 68 Ca 0.00 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 3ab4 h MET 68 Cb 1.05 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3ab4 h MET 68 CO 0.09 1.18 -0.13 1.25 1.06 0.00 0.00 176.91 180.36 3ab4 h LEU 69 N 0.62 -0.31 -0.52 1.22 5.85 -1.34 -1.06 115.31 119.77 3ab4 h LEU 69 Ca -0.00 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 3ab4 h LEU 69 Cb 1.21 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3ab4 h LEU 69 CO 0.13 0.06 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.70 3ab4 h LEU 70 N -0.72 0.65 -0.75 2.25 3.38 -1.60 -1.83 115.31 116.69 3ab4 h LEU 70 Ca -0.04 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3ab4 h LEU 70 Cb 0.49 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3ab4 h LEU 70 CO 0.06 1.05 0.46 0.74 0.09 0.00 0.00 178.44 180.84 3ab4 h THR 71 N 0.46 1.07 -0.42 0.22 2.02 -1.44 -2.63 112.91 112.19 3ab4 h THR 71 Ca 0.01 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3ab4 h THR 71 Cb 1.07 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3ab4 h THR 71 CO 0.10 0.16 -0.26 0.00 0.37 0.00 0.00 175.52 175.89 3ab4 h ALA 72 N 1.34 0.74 0.00 6.16 0.00 -0.83 -1.17 119.26 125.50 3ab4 h ALA 72 Ca 0.31 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 72 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ab4 h ALA 72 CO -0.13 0.66 -0.23 0.78 0.00 0.00 0.00 179.25 180.32 3ab4 h GLY 73 N 0.90 0.00 1.58 0.00 0.00 -1.25 -2.67 103.07 101.63 3ab4 h GLY 73 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.17 3ab4 h GLY 73 CO 0.07 0.00 -1.29 0.83 0.00 0.00 0.00 176.54 176.15 3ab4 h GLU 74 N 0.00 0.05 -0.08 4.80 5.08 -1.21 -3.30 114.58 119.93 3ab4 h GLU 74 Ca -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3ab4 h GLU 74 Cb 0.45 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ab4 h GLU 74 CO 0.03 0.88 0.02 0.00 -1.00 0.00 0.00 179.01 178.95 3ab4 h ARG 75 N 0.01 0.11 0.00 2.33 3.08 -0.87 -0.15 114.38 118.89 3ab4 h ARG 75 Ca -0.13 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3ab4 h ARG 75 Cb 1.89 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 3ab4 h ARG 75 CO 0.12 0.10 -0.43 -0.84 -1.07 0.00 0.00 179.97 177.85 3ab4 h ILE 76 N 0.11 0.89 -0.03 2.04 -0.00 -1.60 -1.47 117.51 117.46 3ab4 h ILE 76 Ca 0.03 -1.79 -0.24 0.00 -0.00 0.00 0.00 64.86 62.87 3ab4 h ILE 76 Cb 0.04 2.10 0.01 0.00 -0.00 0.00 0.00 36.82 38.97 3ab4 h ILE 76 CO -0.00 0.42 -0.94 -1.28 -0.00 0.00 0.00 178.15 176.35 3ab4 h SER 77 N 0.00 0.72 -0.11 2.16 0.87 -1.35 -2.68 113.55 113.16 3ab4 h SER 77 Ca -0.00 -0.55 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3ab4 h SER 77 Cb 1.07 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3ab4 h SER 77 CO 0.06 1.34 0.06 -1.13 -0.53 0.00 0.00 176.83 176.63 3ab4 h ASN 78 N 0.33 0.13 -0.15 6.23 -0.00 -0.80 -2.05 115.58 119.28 3ab4 h ASN 78 Ca -0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.10 3ab4 h ASN 78 Cb 1.58 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 39.86 3ab4 h ASN 78 CO 0.17 0.19 0.05 0.00 -0.00 0.00 0.00 177.43 177.85 3ab4 h ALA 79 N 0.95 0.19 -0.48 1.57 0.00 -1.36 -1.50 119.26 118.64 3ab4 h ALA 79 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 79 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ab4 h ALA 79 CO -0.01 -0.20 0.04 -0.07 0.00 0.00 0.00 179.25 179.02 3ab4 h LEU 80 N 0.07 0.72 -0.25 0.00 3.38 -1.46 0.29 115.31 118.05 3ab4 h LEU 80 Ca 0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3ab4 h LEU 80 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ab4 h LEU 80 CO -0.00 0.76 -0.17 0.58 0.09 0.00 0.00 178.44 179.69 3ab4 h VAL 81 N 0.72 1.31 -0.09 1.22 2.07 -1.40 -2.49 116.25 117.59 3ab4 h VAL 81 Ca 0.15 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.40 3ab4 h VAL 81 Cb 0.38 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3ab4 h VAL 81 CO 0.01 0.40 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 3ab4 h ALA 82 N 0.70 -0.07 -0.54 1.67 0.00 -0.37 0.86 119.26 121.51 3ab4 h ALA 82 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 82 Cb 0.71 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3ab4 h ALA 82 CO 0.05 -0.59 0.36 0.52 0.00 0.00 0.00 179.25 179.59 3ab4 h MET 83 N -0.17 0.63 -0.18 0.00 2.07 -0.53 -1.96 114.93 114.80 3ab4 h MET 83 Ca 0.07 -0.04 -0.13 0.00 -2.07 0.00 0.00 59.70 57.54 3ab4 h MET 83 Cb 0.27 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 3ab4 h MET 83 CO -0.19 0.42 -0.38 0.00 1.07 0.00 0.00 176.91 177.83 3ab4 h ALA 84 N 1.68 0.29 -0.68 6.32 0.00 -0.79 -1.81 119.26 124.27 3ab4 h ALA 84 Ca 0.21 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ab4 h ALA 84 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ab4 h ALA 84 CO -0.05 0.37 0.41 0.82 0.00 0.00 0.00 179.25 180.80 3ab4 h ILE 85 N 0.24 1.20 -0.47 0.00 1.08 -0.60 -2.52 117.51 116.43 3ab4 h ILE 85 Ca 0.00 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3ab4 h ILE 85 Cb 0.98 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 3ab4 h ILE 85 CO 0.08 0.20 0.18 -0.33 -0.69 0.00 0.00 178.15 177.60 3ab4 h GLU 86 N 0.92 0.68 0.00 2.37 5.08 -1.31 -1.55 114.58 120.77 3ab4 h GLU 86 Ca 0.24 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3ab4 h GLU 86 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3ab4 h GLU 86 CO -0.05 0.57 -0.03 1.03 -1.00 0.00 0.00 179.01 179.53 3ab4 h SER 87 N 0.67 0.00 -0.53 1.42 0.87 -0.89 -2.20 113.55 112.90 3ab4 h SER 87 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3ab4 h SER 87 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3ab4 h SER 87 CO -0.01 0.03 0.00 0.18 -0.53 0.00 0.00 176.83 176.50 3ab4 n LEU 88 N -4.42 3.79 0.00 2.23 4.77 -0.60 -4.94 117.00 117.82 3ab4 n LEU 88 Ca -0.03 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 3ab4 n LEU 88 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3ab4 n LEU 88 CO 0.34 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3ab4 n GLY 89 N 1.03 3.12 3.84 -0.72 0.00 -0.83 -5.06 105.19 106.58 3ab4 n GLY 89 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.89 2.42 -0.07 4.61 0.00 -1.13 -4.95 121.76 119.76 3ab4 s ALA 90 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 3ab4 s ALA 90 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3ab4 s ALA 90 CO 0.00 -1.65 -0.02 -1.21 0.00 0.00 0.00 175.76 172.87 3ab4 s GLU 91 N -5.32 2.87 0.10 0.00 2.02 -1.26 -3.73 118.70 113.37 3ab4 s GLU 91 Ca 0.61 -0.48 0.10 0.00 0.02 0.00 0.00 54.97 55.21 3ab4 s GLU 91 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 3ab4 s GLU 91 CO 0.52 0.68 -0.25 0.00 0.02 0.00 0.00 175.26 176.23 3ab4 s ALA 92 N -0.88 2.17 -0.08 5.21 0.00 -1.26 0.35 121.76 127.27 3ab4 s ALA 92 Ca 0.14 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3ab4 s ALA 92 Cb -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3ab4 s ALA 92 CO 0.03 0.49 0.01 -1.14 0.00 0.00 0.00 175.76 175.14 3ab4 s GLN 93 N -1.76 0.56 -0.01 0.00 2.00 -0.48 -4.86 119.66 115.11 3ab4 s GLN 93 Ca 0.11 0.09 -0.11 0.00 -2.00 0.00 0.00 55.36 53.45 3ab4 s GLN 93 Cb -0.10 -1.03 -0.05 0.00 0.80 0.00 0.00 33.01 32.63 3ab4 s GLN 93 CO 0.04 -0.33 0.34 -1.12 -0.50 0.00 0.00 175.29 173.72 3ab4 s SER 94 N 1.98 6.66 -0.06 6.67 0.01 -1.26 -0.49 113.70 127.21 3ab4 s SER 94 Ca 0.05 0.79 0.01 0.00 1.31 0.00 0.00 55.95 58.10 3ab4 s SER 94 Cb -0.13 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 63.94 3ab4 s SER 94 CO -0.05 0.31 -0.06 -0.36 0.41 0.00 0.00 173.24 173.49 3ab4 s PHE 95 N -1.14 0.94 -0.38 2.43 0.08 0.44 -4.94 117.98 115.40 3ab4 s PHE 95 Ca 0.24 -0.31 0.12 0.00 0.12 0.00 0.00 56.93 57.09 3ab4 s PHE 95 Cb -0.15 -0.81 0.43 0.00 -0.57 0.00 0.00 43.02 41.93 3ab4 s PHE 95 CO 0.12 -0.25 1.01 2.41 -0.10 0.00 0.00 175.22 178.41 3ab4 n THR 96 N 4.23 1.60 -4.26 0.64 -1.04 -1.26 -1.94 114.28 112.23 3ab4 n THR 96 Ca -0.21 -4.00 -0.28 0.00 -2.04 0.00 0.00 64.05 57.53 3ab4 n THR 96 Cb 0.51 -0.26 -0.09 0.00 -1.82 0.00 0.00 70.33 68.67 3ab4 n THR 96 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3ab4 s THR 117 N -4.16 3.28 0.49 12.58 -4.23 -1.26 -5.04 115.64 117.31 3ab4 s THR 117 Ca 0.37 -1.52 0.19 0.00 -1.18 0.00 0.00 61.69 59.56 3ab4 s THR 117 Cb 0.42 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 72.01 3ab4 s THR 117 CO -0.07 -0.04 2.01 1.55 -0.54 0.00 0.00 174.62 177.53 3ab4 h PRO 118 N 3.11 0.15 -0.00 3.99 0.13 -1.96 -3.06 132.00 134.36 3ab4 h PRO 118 Ca -0.47 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3ab4 h PRO 118 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ab4 h PRO 118 CO 0.54 0.10 -0.22 0.78 -0.23 0.00 0.00 178.00 178.97 3ab4 h GLY 119 N 0.16 0.00 0.41 1.56 0.00 -2.00 -1.60 103.07 101.61 3ab4 h GLY 119 Ca 0.23 -0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.27 3ab4 h GLY 119 CO -0.03 0.00 -2.02 -0.96 0.00 0.00 0.00 176.54 173.53 3ab4 n ARG 120 N -4.28 0.66 -0.26 4.80 1.85 -1.16 -3.84 116.66 114.43 3ab4 n ARG 120 Ca -0.02 0.09 -0.06 0.00 -1.00 0.00 0.00 57.85 56.86 3ab4 n ARG 120 Cb 0.28 -1.64 0.05 0.00 -1.05 0.00 0.00 32.46 30.10 3ab4 n ARG 120 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3ab4 h VAL 121 N 0.00 1.23 -0.84 8.89 2.07 -1.51 -3.04 116.25 123.05 3ab4 h VAL 121 Ca -0.37 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ab4 h VAL 121 Cb 1.97 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3ab4 h VAL 121 CO 0.04 0.27 0.56 -0.09 0.02 0.00 0.00 177.57 178.37 3ab4 h ARG 122 N 0.99 1.07 0.43 1.57 9.65 -1.43 0.16 114.38 126.82 3ab4 h ARG 122 Ca 0.24 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 3ab4 h ARG 122 Cb 0.12 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 3ab4 h ARG 122 CO -0.03 0.71 -0.21 0.93 2.80 0.00 0.00 179.97 184.17 3ab4 h GLU 123 N 1.10 -0.56 -0.77 0.20 5.08 -1.64 0.83 114.58 118.82 3ab4 h GLU 123 Ca 0.32 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 3ab4 h GLU 123 Cb -0.07 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3ab4 h GLU 123 CO -0.08 -0.32 0.44 0.00 -1.00 0.00 0.00 179.01 178.05 3ab4 h ALA 124 N -0.13 1.06 -0.43 3.43 0.00 -1.37 -0.32 119.26 121.50 3ab4 h ALA 124 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 124 Cb 0.49 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3ab4 h ALA 124 CO 0.10 0.12 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 3ab4 h LEU 125 N 0.79 -0.20 -1.50 0.00 4.07 -0.53 -1.47 115.31 116.46 3ab4 h LEU 125 Ca 0.35 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.36 3ab4 h LEU 125 Cb 0.24 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3ab4 h LEU 125 CO -0.20 -0.06 -0.22 0.44 -1.08 0.00 0.00 178.44 177.31 3ab4 h ASP 126 N 0.10 0.04 1.14 -0.43 3.45 0.51 -1.01 116.42 120.22 3ab4 h ASP 126 Ca 0.21 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3ab4 h ASP 126 Cb 0.31 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3ab4 h ASP 126 CO -0.36 0.27 0.00 -0.33 -1.57 0.00 0.00 179.24 177.24 3ab4 h GLU 127 N 0.04 0.00 0.00 3.56 5.08 -0.41 -3.47 114.58 119.38 3ab4 h GLU 127 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ab4 h GLU 127 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ab4 h GLU 127 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 3ab4 n GLY 128 N 0.47 0.85 3.82 -3.84 0.00 -0.38 -5.08 105.19 101.04 3ab4 n GLY 128 Ca 0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.67 4.21 -0.26 1.61 1.02 -0.94 -4.73 119.74 119.96 3ab4 s LYS 129 Ca 0.00 1.02 -0.26 0.00 0.02 0.00 0.00 55.97 56.75 3ab4 s LYS 129 Cb 0.00 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3ab4 s LYS 129 CO 0.00 0.06 0.90 0.42 -0.92 0.00 0.00 175.35 175.81 3ab4 s ILE 130 N -2.05 4.75 -0.15 2.17 1.09 0.15 -4.40 121.20 122.76 3ab4 s ILE 130 Ca 0.58 1.62 -0.23 0.00 -1.10 0.00 0.00 60.65 61.52 3ab4 s ILE 130 Cb -0.10 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 3ab4 s ILE 130 CO 0.15 -0.19 0.70 0.00 -0.10 0.00 0.00 174.94 175.51 3ab4 s ILE 132 N 1.64 2.76 -0.09 0.00 1.10 0.35 0.69 121.20 127.65 3ab4 s ILE 132 Ca 0.34 -0.74 0.02 0.00 -0.51 0.00 0.00 60.65 59.76 3ab4 s ILE 132 Cb -0.16 -2.24 0.01 0.00 0.15 0.00 0.00 42.46 40.22 3ab4 s ILE 132 CO 0.13 0.45 -0.17 0.68 -2.11 0.00 0.00 174.94 173.92 3ab4 s VAL 133 N 1.38 1.54 0.27 4.00 -7.23 -0.07 -0.42 120.40 119.86 3ab4 s VAL 133 Ca 0.05 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 3ab4 s VAL 133 Cb -0.14 -1.38 -0.13 0.00 0.56 0.00 0.00 36.38 35.29 3ab4 s VAL 133 CO -0.08 0.45 1.40 0.00 -0.31 0.00 0.00 175.10 176.56 3ab4 n ALA 134 N 3.91 1.27 -1.00 1.32 0.00 -0.82 -3.85 120.51 121.34 3ab4 n ALA 134 Ca -0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3ab4 n ALA 134 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3ab4 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 135 N 1.87 -3.11 3.04 0.00 0.00 -1.26 -4.98 105.19 100.76 3ab4 n GLY 135 Ca 0.10 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 3ab4 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ab4 n GLY 153 N 0.15 -2.48 0.17 -0.02 0.00 -1.26 -4.97 105.19 96.77 3ab4 n GLY 153 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3ab4 n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ab4 h SER 154 N 0.32 -0.37 -0.45 1.61 0.02 -1.94 -0.48 113.55 112.26 3ab4 h SER 154 Ca -0.34 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 3ab4 h SER 154 Cb 1.33 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.99 3ab4 h SER 154 CO 0.43 -0.17 0.12 0.44 -1.14 0.00 0.00 176.83 176.52 3ab4 h ASP 155 N -0.17 0.08 -0.06 3.07 3.45 -1.97 0.14 116.42 120.96 3ab4 h ASP 155 Ca 0.07 0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.47 3ab4 h ASP 155 Cb 0.27 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3ab4 h ASP 155 CO -0.18 0.08 -0.35 0.74 -1.57 0.00 0.00 179.24 177.96 3ab4 h THR 156 N 0.27 1.29 -0.12 0.35 2.02 -1.87 -1.14 112.91 113.71 3ab4 h THR 156 Ca 0.22 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.93 3ab4 h THR 156 Cb 0.25 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3ab4 h THR 156 CO -0.26 0.47 0.02 0.74 0.37 0.00 0.00 175.52 176.86 3ab4 h THR 157 N 0.47 0.95 0.14 3.16 2.02 -0.18 -0.99 112.91 118.47 3ab4 h THR 157 Ca 0.05 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3ab4 h THR 157 Cb 0.83 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3ab4 h THR 157 CO 0.07 0.01 -0.09 0.00 0.37 0.00 0.00 175.52 175.89 3ab4 h ALA 158 N 1.09 -0.21 -0.56 6.16 0.00 -0.50 -0.78 119.26 124.45 3ab4 h ALA 158 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 158 Cb 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ab4 h ALA 158 CO -0.07 -0.63 0.16 0.28 0.00 0.00 0.00 179.25 179.00 3ab4 h VAL 159 N -0.22 1.24 -0.10 0.00 2.07 -1.15 0.40 116.25 118.50 3ab4 h VAL 159 Ca -0.01 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3ab4 h VAL 159 Cb 0.19 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3ab4 h VAL 159 CO 0.01 0.31 -0.24 0.00 0.02 0.00 0.00 177.57 177.67 3ab4 h ALA 160 N 1.04 -0.25 -0.91 1.67 0.00 -1.12 0.22 119.26 119.91 3ab4 h ALA 160 Ca 0.18 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3ab4 h ALA 160 Cb 0.30 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3ab4 h ALA 160 CO -0.00 -0.71 0.58 -0.07 0.00 0.00 0.00 179.25 179.05 3ab4 h LEU 161 N -0.32 0.95 -0.99 0.00 3.38 -0.68 0.14 115.31 117.79 3ab4 h LEU 161 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3ab4 h LEU 161 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3ab4 h LEU 161 CO -0.28 0.64 -0.10 0.00 0.09 0.00 0.00 178.44 178.79 3ab4 h ALA 162 N 1.39 1.15 -0.04 1.53 0.00 -0.62 -1.83 119.26 120.85 3ab4 h ALA 162 Ca 0.38 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ab4 h ALA 162 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ab4 h ALA 162 CO -0.14 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.66 3ab4 h ALA 163 N 1.32 0.05 -0.50 0.00 0.00 0.93 -1.24 119.26 119.82 3ab4 h ALA 163 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ab4 h ALA 163 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ab4 h ALA 163 CO 0.03 -0.35 -0.19 0.00 0.00 0.00 0.00 179.25 178.74 3ab4 h ALA 164 N 0.82 0.71 -0.00 0.00 0.00 -0.72 -3.01 119.26 117.05 3ab4 h ALA 164 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ab4 h ALA 164 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ab4 h ALA 164 CO -0.00 0.68 -0.14 1.28 0.00 0.00 0.00 179.25 181.06 3ab4 n LEU 165 N -4.12 0.55 -3.59 0.00 4.32 -0.70 -4.94 117.00 108.53 3ab4 n LEU 165 Ca 0.00 -0.02 -0.21 0.00 -0.02 0.00 0.00 56.01 55.76 3ab4 n LEU 165 Cb 0.45 -0.19 0.07 0.00 -1.62 0.00 0.00 43.42 42.13 3ab4 n LEU 165 CO 0.46 0.10 0.11 -3.20 -1.22 0.00 0.00 177.39 173.65 3ab4 n ASN 166 N -0.94 -3.35 -4.75 -1.43 4.05 -0.83 -4.96 115.26 103.06 3ab4 n ASN 166 Ca 0.13 -0.66 -0.36 0.00 0.45 0.00 0.00 54.58 54.14 3ab4 n ASN 166 Cb 0.29 -4.74 0.04 0.00 1.23 0.00 0.00 39.78 36.60 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ab4 s ALA 167 N -3.41 2.52 0.22 5.20 0.00 -0.53 -4.93 121.76 120.83 3ab4 s ALA 167 Ca 0.23 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3ab4 s ALA 167 Cb -0.11 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.71 3ab4 s ALA 167 CO 0.76 -1.28 1.51 -0.44 0.00 0.00 0.00 175.76 176.31 3ab4 h ASP 168 N 0.84 0.17 -5.03 0.00 3.32 -1.12 -3.46 116.42 111.14 3ab4 h ASP 168 Ca -0.51 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.37 3ab4 h ASP 168 Cb 1.31 -0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 3ab4 h ASP 168 CO 0.55 0.82 0.01 0.68 -1.72 0.00 0.00 179.24 179.58 3ab4 s VAL 169 N -3.50 0.04 -0.23 -1.35 -7.23 -1.23 -4.60 120.40 102.29 3ab4 s VAL 169 Ca -0.03 -0.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 3ab4 s VAL 169 Cb 0.12 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 36.11 3ab4 s VAL 169 CO 0.80 -0.17 -0.07 0.00 -0.31 0.00 0.00 175.10 175.35 3ab4 s GLU 171 N 1.39 4.30 -0.24 0.00 2.02 0.49 -1.80 118.70 124.86 3ab4 s GLU 171 Ca -0.05 0.46 -0.05 0.00 0.02 0.00 0.00 54.97 55.35 3ab4 s GLU 171 Cb -0.18 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 3ab4 s GLU 171 CO -0.07 0.23 0.00 0.96 0.02 0.00 0.00 175.26 176.40 3ab4 s ILE 172 N 0.39 3.66 -0.30 -1.63 -4.36 -0.74 -0.16 121.20 118.07 3ab4 s ILE 172 Ca 0.26 -0.46 -0.06 0.00 -0.26 0.00 0.00 60.65 60.13 3ab4 s ILE 172 Cb -0.15 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 40.86 3ab4 s ILE 172 CO 0.11 0.35 0.06 -0.31 0.24 0.00 0.00 174.94 175.39 3ab4 s TYR 173 N 1.51 3.16 0.00 1.37 2.02 0.10 -2.04 117.35 123.47 3ab4 s TYR 173 Ca 0.05 -1.17 0.00 0.00 -0.37 0.00 0.00 57.07 55.58 3ab4 s TYR 173 Cb -0.15 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 3ab4 s TYR 173 CO -0.01 -0.63 0.00 -1.13 -1.57 0.00 0.00 175.55 172.21 3ab4 n SER 174 N 4.82 0.57 -0.10 2.29 3.41 -1.16 -2.27 113.62 121.18 3ab4 n SER 174 Ca -0.14 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.61 3ab4 n SER 174 Cb 0.47 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.03 3ab4 n SER 174 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ab4 n ASP 175 N 0.00 0.42 -4.84 4.04 10.43 -1.26 -3.43 116.55 121.91 3ab4 n ASP 175 Ca 0.00 -0.49 -0.37 0.00 2.57 0.00 0.00 54.79 56.50 3ab4 n ASP 175 Cb 0.00 -0.09 -0.06 0.00 1.84 0.00 0.00 41.12 42.80 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3ab4 s VAL 176 N -2.52 5.39 -1.92 2.53 -7.23 -1.26 -4.98 120.40 110.41 3ab4 s VAL 176 Ca 0.28 0.35 0.27 0.00 -1.81 0.00 0.00 61.98 61.07 3ab4 s VAL 176 Cb 0.20 -3.49 0.36 0.00 0.56 0.00 0.00 36.38 34.01 3ab4 s VAL 176 CO 0.48 0.56 1.64 -0.90 -0.31 0.00 0.00 175.10 176.58 3ab4 n ASP 177 N 2.32 1.07 -2.57 4.85 5.75 -1.26 -3.69 116.55 123.02 3ab4 n ASP 177 Ca -0.18 -1.00 0.02 0.00 -0.01 0.00 0.00 54.79 53.62 3ab4 n ASP 177 Cb 0.54 0.08 0.01 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.29 0.41 3.42 6.12 0.00 -1.26 -4.42 105.19 110.76 3ab4 n GLY 178 Ca 0.14 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3ab4 n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ab4 s VAL 179 N -2.08 4.30 0.44 1.61 -7.23 -1.26 -5.00 120.40 111.18 3ab4 s VAL 179 Ca 0.17 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3ab4 s VAL 179 Cb -0.00 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 3ab4 s VAL 179 CO -0.00 0.22 0.68 -0.31 -0.31 0.00 0.00 175.10 175.37 3ab4 s TYR 180 N 1.59 3.35 -0.28 2.82 2.02 -1.26 -2.55 117.35 123.03 3ab4 s TYR 180 Ca 0.05 0.38 0.25 0.00 -0.37 0.00 0.00 57.07 57.38 3ab4 s TYR 180 Cb -0.16 -2.24 1.15 0.00 -0.40 0.00 0.00 41.96 40.31 3ab4 s TYR 180 CO 0.04 -0.26 1.75 1.79 -1.57 0.00 0.00 175.55 177.29 3ab4 h THR 181 N 0.41 0.00 -1.83 -0.71 1.35 -1.26 -3.44 112.91 107.43 3ab4 h THR 181 Ca -0.47 -0.17 0.25 0.00 -0.55 0.00 0.00 66.41 65.47 3ab4 h THR 181 Cb 1.24 0.85 -0.12 0.00 -1.73 0.00 0.00 68.15 68.39 3ab4 h THR 181 CO 0.59 0.00 0.68 0.00 -0.25 0.00 0.00 175.52 176.54 3ab4 s ALA 182 N -3.46 -1.98 -0.04 6.62 0.00 -1.26 -1.42 121.76 120.22 3ab4 s ALA 182 Ca 0.01 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 3ab4 s ALA 182 Cb 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 3ab4 s ALA 182 CO 0.34 -0.96 1.67 0.34 0.00 0.00 0.00 175.76 177.15 3ab4 s ASP 183 N -2.83 6.65 0.43 0.00 3.68 -1.26 -4.77 116.67 118.57 3ab4 s ASP 183 Ca 0.12 2.28 0.20 0.00 2.13 0.00 0.00 52.55 57.29 3ab4 s ASP 183 Cb 0.01 -2.54 0.95 0.00 -1.45 0.00 0.00 42.92 39.90 3ab4 s ASP 183 CO -0.02 -0.93 1.87 -0.65 0.13 0.00 0.00 175.17 175.57 3ab4 h PRO 184 N 9.50 0.00 0.00 4.34 0.11 -1.91 0.62 132.00 144.66 3ab4 h PRO 184 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ab4 h PRO 184 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ab4 h PRO 184 CO 0.95 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 179.02 3ab4 h ARG 185 N 0.00 0.00 0.00 1.05 -0.00 -1.99 -3.28 114.38 110.16 3ab4 h ARG 185 Ca -0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.31 3ab4 h ARG 185 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.59 3ab4 h ARG 185 CO 0.04 0.00 -1.59 -0.89 0.00 0.00 0.00 179.97 177.53 3ab4 n ILE 186 N -2.50 0.59 -3.71 2.04 2.08 -0.44 -4.95 119.36 112.46 3ab4 n ILE 186 Ca -0.01 -0.20 -0.38 0.00 0.56 0.00 0.00 62.75 62.73 3ab4 n ILE 186 Cb 0.11 -1.16 -0.11 0.00 -0.75 0.00 0.00 39.64 37.73 3ab4 n ILE 186 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3ab4 s VAL 187 N -2.20 3.68 0.36 1.39 1.01 0.20 -4.87 120.40 119.98 3ab4 s VAL 187 Ca -0.14 -1.66 0.13 0.00 0.00 0.00 0.00 61.98 60.30 3ab4 s VAL 187 Cb 0.04 -3.34 0.35 0.00 0.00 0.00 0.00 36.38 33.43 3ab4 s VAL 187 CO 0.22 -0.53 1.79 -0.65 0.00 0.00 0.00 175.10 175.93 3ab4 h PRO 188 N 8.21 0.53 -0.14 2.72 0.11 -1.85 -1.41 132.00 140.18 3ab4 h PRO 188 Ca -0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ab4 h PRO 188 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3ab4 h PRO 188 CO 0.71 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 3ab4 n ASN 189 N -4.66 1.08 -4.73 -2.05 4.13 -1.26 -4.90 115.26 102.88 3ab4 n ASN 189 Ca 0.23 -1.71 -0.42 0.00 1.68 0.00 0.00 54.58 54.36 3ab4 n ASN 189 Cb 0.71 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.83 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ab4 s ALA 190 N -1.82 3.91 0.22 5.41 0.00 -0.53 -4.02 121.76 124.92 3ab4 s ALA 190 Ca 0.26 1.60 0.07 0.00 0.00 0.00 0.00 51.96 53.89 3ab4 s ALA 190 Cb 0.13 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3ab4 s ALA 190 CO 0.20 -0.94 -0.11 1.14 0.00 0.00 0.00 175.76 176.05 3ab4 s GLN 191 N 0.86 1.36 0.04 0.00 -2.07 -1.26 -4.89 119.66 113.70 3ab4 s GLN 191 Ca 0.73 -1.63 -0.30 0.00 -1.82 0.00 0.00 55.36 52.33 3ab4 s GLN 191 Cb -0.50 -1.06 -0.05 0.00 -1.09 0.00 0.00 33.01 30.31 3ab4 s GLN 191 CO 0.35 0.13 1.21 0.21 -1.32 0.00 0.00 175.29 175.86 3ab4 s LYS 192 N -3.68 4.41 0.45 9.60 2.20 -1.26 -0.81 119.74 130.64 3ab4 s LYS 192 Ca 0.24 1.76 -0.23 0.00 -0.36 0.00 0.00 55.97 57.38 3ab4 s LYS 192 Cb 0.01 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 3ab4 s LYS 192 CO 0.08 -0.31 1.11 -0.51 -0.36 0.00 0.00 175.35 175.36 3ab4 s LEU 193 N 1.35 4.02 -0.18 5.43 1.02 -1.06 -4.93 118.68 124.34 3ab4 s LEU 193 Ca 0.58 2.16 0.15 0.00 0.02 0.00 0.00 54.13 57.04 3ab4 s LEU 193 Cb -0.29 -4.27 -0.22 0.00 0.02 0.00 0.00 46.19 41.43 3ab4 s LEU 193 CO 0.28 -0.77 0.03 -1.84 0.02 0.00 0.00 176.35 174.07 3ab4 n GLU 194 N -0.44 0.99 -4.07 1.70 0.28 -1.26 -4.24 120.64 113.61 3ab4 n GLU 194 Ca 0.07 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 3ab4 n GLU 194 Cb 0.49 -1.46 -0.12 0.00 1.43 0.00 0.00 31.44 31.78 3ab4 n GLU 194 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3ab4 s LYS 195 N -2.44 0.47 -0.22 3.44 2.20 -1.26 -0.40 119.74 121.53 3ab4 s LYS 195 Ca -0.11 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.64 3ab4 s LYS 195 Cb 0.06 -0.26 0.06 0.00 -1.51 0.00 0.00 37.83 36.18 3ab4 s LYS 195 CO 0.72 0.05 0.66 -1.17 -0.36 0.00 0.00 175.35 175.25 3ab4 s LEU 196 N -1.27 -0.53 0.85 5.43 2.96 -0.63 -4.95 118.68 120.54 3ab4 s LEU 196 Ca -0.08 1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.96 3ab4 s LEU 196 Cb -0.08 2.29 0.10 0.00 0.50 0.00 0.00 46.19 49.00 3ab4 s LEU 196 CO 0.00 -0.27 1.16 -0.94 -1.32 0.00 0.00 176.35 174.98 3ab4 s SER 197 N 0.16 4.12 0.05 3.68 1.04 -1.26 -2.06 113.70 119.43 3ab4 s SER 197 Ca -0.01 0.85 -0.32 0.00 0.48 0.00 0.00 55.95 56.95 3ab4 s SER 197 Cb -0.04 -1.38 -0.18 0.00 0.10 0.00 0.00 66.02 64.52 3ab4 s SER 197 CO 0.02 -2.16 1.51 -0.26 0.98 0.00 0.00 173.24 173.33 3ab4 h PHE 198 N -1.23 -0.85 -0.59 5.02 0.04 0.12 -2.74 116.94 116.71 3ab4 h PHE 198 Ca -0.48 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.19 3ab4 h PHE 198 Cb 1.33 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 3ab4 h PHE 198 CO 0.30 -0.51 0.05 1.05 -0.60 0.00 0.00 178.31 178.61 3ab4 h GLU 199 N -0.99 0.99 -0.75 1.51 9.09 -1.95 -1.64 114.58 120.83 3ab4 h GLU 199 Ca -0.09 -0.27 0.15 0.00 0.05 0.00 0.00 59.36 59.19 3ab4 h GLU 199 Cb 0.72 -0.11 -0.10 0.00 -1.65 0.00 0.00 28.75 27.61 3ab4 h GLU 199 CO 0.15 0.94 0.27 0.93 0.05 0.00 0.00 179.01 181.36 3ab4 h GLU 200 N 0.92 0.39 -0.17 1.06 5.08 -1.93 -0.43 114.58 119.49 3ab4 h GLU 200 Ca 0.18 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3ab4 h GLU 200 Cb 0.46 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3ab4 h GLU 200 CO 0.02 0.26 -0.12 1.98 -1.00 0.00 0.00 179.01 180.15 3ab4 h MET 201 N 0.40 0.38 -0.95 2.33 4.05 -1.09 -2.35 114.93 117.70 3ab4 h MET 201 Ca 0.42 -0.18 0.14 0.00 -0.28 0.00 0.00 59.70 59.80 3ab4 h MET 201 Cb 0.66 -0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.37 3ab4 h MET 201 CO -0.43 0.72 0.56 -0.07 0.23 0.00 0.00 176.91 177.91 3ab4 h LEU 202 N 0.04 0.76 -0.13 3.39 -0.00 -0.67 0.51 115.31 119.21 3ab4 h LEU 202 Ca 0.03 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 3ab4 h LEU 202 Cb 0.62 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3ab4 h LEU 202 CO 0.03 0.35 -0.03 -0.08 -0.00 0.00 0.00 178.44 178.71 3ab4 h GLU 203 N 0.81 0.24 -0.30 1.13 4.57 -0.97 0.15 114.58 120.22 3ab4 h GLU 203 Ca 0.50 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 3ab4 h GLU 203 Cb 0.64 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3ab4 h GLU 203 CO -0.32 0.54 0.15 -0.07 -1.18 0.00 0.00 179.01 178.13 3ab4 h LEU 204 N -0.07 0.38 -1.91 1.64 3.38 -0.91 -2.45 115.31 115.36 3ab4 h LEU 204 Ca 0.03 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.04 3ab4 h LEU 204 Cb 0.45 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3ab4 h LEU 204 CO 0.01 0.38 0.39 0.00 0.09 0.00 0.00 178.44 179.31 3ab4 h ALA 205 N 1.02 2.40 0.00 1.53 0.00 0.20 -1.98 119.26 122.43 3ab4 h ALA 205 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 205 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ab4 h ALA 205 CO -0.02 -0.55 -0.09 0.00 0.00 0.00 0.00 179.25 178.60 3ab4 h ALA 206 N 1.73 0.96 0.00 0.00 0.00 -0.21 -3.39 119.26 118.34 3ab4 h ALA 206 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ab4 h ALA 206 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ab4 h ALA 206 CO -0.02 0.11 -0.22 0.28 0.00 0.00 0.00 179.25 179.39 3ab4 n VAL 207 N -3.14 0.80 0.00 0.00 0.31 -0.83 -4.99 118.33 110.48 3ab4 n VAL 207 Ca 0.03 -0.94 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 3ab4 n VAL 207 Cb 0.50 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ab4 n GLY 208 N -0.58 -0.14 3.69 2.92 0.00 -1.14 -4.18 105.19 105.75 3ab4 n GLY 208 Ca 0.06 0.23 -0.56 0.00 0.00 0.00 0.00 46.02 45.76 3ab4 n GLY 208 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ab4 n SER 209 N 0.00 2.32 -1.50 1.61 2.88 -0.81 -4.86 113.62 113.26 3ab4 n SER 209 Ca 0.00 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.69 3ab4 n SER 209 Cb 0.00 -1.17 0.35 0.00 -0.75 0.00 0.00 64.21 62.64 3ab4 n SER 209 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3ab4 n LYS 210 N 4.88 4.08 -0.07 -1.46 5.02 -1.26 -4.33 118.16 125.02 3ab4 n LYS 210 Ca 0.25 -3.04 -0.14 0.00 -2.02 0.00 0.00 58.31 53.35 3ab4 n LYS 210 Cb 0.15 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.00 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 3.08 1.33 -3.55 -0.18 2.04 -1.94 -3.45 117.51 114.84 3ab4 h ILE 211 Ca 0.01 -1.49 -0.50 0.00 1.00 0.00 0.00 64.86 63.88 3ab4 h ILE 211 Cb 1.78 1.79 -0.19 0.00 -0.74 0.00 0.00 36.82 39.46 3ab4 h ILE 211 CO 0.39 0.46 -0.79 -0.76 0.00 0.00 0.00 178.15 177.46 3ab4 s LEU 212 N -8.93 2.39 -0.05 1.44 1.02 -1.26 -5.05 118.68 108.23 3ab4 s LEU 212 Ca -0.13 -0.80 -0.30 0.00 0.02 0.00 0.00 54.13 52.93 3ab4 s LEU 212 Cb 0.07 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 3ab4 s LEU 212 CO 0.81 -0.04 1.09 0.68 0.02 0.00 0.00 176.35 178.90 3ab4 s VAL 213 N -1.83 4.54 0.28 -1.59 -7.23 -1.26 -4.92 120.40 108.40 3ab4 s VAL 213 Ca 0.11 1.83 0.01 0.00 -1.81 0.00 0.00 61.98 62.12 3ab4 s VAL 213 Cb -0.07 -4.18 0.31 0.00 0.56 0.00 0.00 36.38 33.00 3ab4 s VAL 213 CO 0.05 0.04 1.65 -0.07 -0.31 0.00 0.00 175.10 176.46 3ab4 h LEU 214 N 7.74 -0.04 -0.52 1.32 3.38 -1.96 -0.78 115.31 124.44 3ab4 h LEU 214 Ca -0.35 0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3ab4 h LEU 214 Cb 1.17 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 42.09 3ab4 h LEU 214 CO 0.84 -0.15 -0.16 -0.09 0.09 0.00 0.00 178.44 178.97 3ab4 h ARG 215 N 0.20 -0.03 -0.34 1.13 2.43 -2.00 -0.73 114.38 115.04 3ab4 h ARG 215 Ca 0.53 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 3ab4 h ARG 215 Cb 1.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3ab4 h ARG 215 CO -0.65 -0.02 0.10 0.66 -1.51 0.00 0.00 179.97 178.54 3ab4 h SER 216 N -0.03 0.45 0.27 -3.80 4.64 -1.48 -2.17 113.55 111.43 3ab4 h SER 216 Ca 0.25 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.33 3ab4 h SER 216 Cb 0.41 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ab4 h SER 216 CO -0.56 0.44 -0.77 0.58 -0.87 0.00 0.00 176.83 175.66 3ab4 h VAL 217 N 0.49 1.38 -0.48 0.95 2.07 -1.10 -1.11 116.25 118.44 3ab4 h VAL 217 Ca 0.12 -2.20 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 3ab4 h VAL 217 Cb 0.17 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3ab4 h VAL 217 CO -0.01 0.66 0.18 -0.08 0.02 0.00 0.00 177.57 178.35 3ab4 h GLU 218 N 0.27 0.73 -0.77 1.57 4.57 -0.57 0.19 114.58 120.57 3ab4 h GLU 218 Ca -0.04 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3ab4 h GLU 218 Cb 1.36 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3ab4 h GLU 218 CO 0.13 0.66 0.34 1.88 -1.18 0.00 0.00 179.01 180.84 3ab4 h TYR 219 N 0.64 1.15 -0.32 0.92 0.99 -1.46 0.99 116.97 119.88 3ab4 h TYR 219 Ca 0.16 -0.07 0.07 0.00 2.00 0.00 0.00 58.73 60.88 3ab4 h TYR 219 Cb 0.21 -0.35 -0.08 0.00 1.00 0.00 0.00 36.73 37.51 3ab4 h TYR 219 CO 0.01 0.86 -0.35 0.00 -0.00 0.00 0.00 178.16 178.68 3ab4 h ALA 220 N 1.17 -0.29 0.00 3.88 0.00 -0.14 -1.88 119.26 122.00 3ab4 h ALA 220 Ca 0.26 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 3ab4 h ALA 220 Cb 0.17 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ab4 h ALA 220 CO -0.03 -0.78 -0.92 0.07 0.00 0.00 0.00 179.25 177.60 3ab4 h ARG 221 N -0.31 0.33 -0.30 0.00 0.11 -0.17 -1.86 114.38 112.17 3ab4 h ARG 221 Ca 0.14 -0.36 0.07 0.00 0.10 0.00 0.00 59.98 59.93 3ab4 h ARG 221 Cb 0.55 0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.66 3ab4 h ARG 221 CO -0.49 1.05 -0.29 0.00 0.10 0.00 0.00 179.97 180.34 3ab4 h ALA 222 N 0.82 -0.18 -4.38 0.08 0.00 0.14 -3.39 119.26 112.35 3ab4 h ALA 222 Ca -0.07 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3ab4 h ALA 222 Cb 1.55 0.61 0.05 0.00 0.00 0.00 0.00 17.79 20.00 3ab4 h ALA 222 CO 0.15 -0.71 0.07 1.19 0.00 0.00 0.00 179.25 179.96 3ab4 n PHE 223 N -5.40 -3.29 -3.15 0.00 3.01 -0.74 -5.03 117.46 102.87 3ab4 n PHE 223 Ca -0.00 -0.79 -0.36 0.00 1.01 0.00 0.00 57.45 57.31 3ab4 n PHE 223 Cb 0.32 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 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 -3.02 5.33 -4.32 4.37 5.15 -1.25 -4.75 115.26 116.77 3ab4 n ASN 224 Ca 0.08 -3.46 -0.42 0.00 -0.60 0.00 0.00 54.58 50.17 3ab4 n ASN 224 Cb 0.28 -0.99 -0.09 0.00 -0.53 0.00 0.00 39.78 38.45 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 -2.85 4.72 0.27 3.44 1.01 -0.70 -5.07 120.40 121.23 3ab4 s VAL 225 Ca 0.36 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 3ab4 s VAL 225 Cb 0.11 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 3ab4 s VAL 225 CO 0.04 -0.58 1.51 -2.84 0.00 0.00 0.00 175.10 173.23 3ab4 s PRO 226 N 1.53 4.20 0.20 2.72 0.02 -1.26 -4.72 135.00 137.67 3ab4 s PRO 226 Ca 0.04 2.44 0.08 0.00 0.02 0.00 0.00 61.00 63.57 3ab4 s PRO 226 Cb -0.24 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3ab4 s PRO 226 CO 0.04 -0.52 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.67 3ab4 s LEU 227 N -0.49 3.25 -0.09 -5.54 1.43 0.46 -1.03 118.68 116.67 3ab4 s LEU 227 Ca 0.61 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3ab4 s LEU 227 Cb -0.45 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 43.93 3ab4 s LEU 227 CO 0.46 0.07 0.22 0.00 0.23 0.00 0.00 176.35 177.33 3ab4 s ARG 228 N -3.12 0.22 -0.30 1.70 1.70 -0.74 -0.25 118.95 118.16 3ab4 s ARG 228 Ca 0.28 0.40 -0.20 0.00 -0.47 0.00 0.00 55.73 55.74 3ab4 s ARG 228 Cb -0.08 0.00 -0.01 0.00 -0.57 0.00 0.00 34.95 34.28 3ab4 s ARG 228 CO 0.19 -0.09 0.59 0.08 -1.08 0.00 0.00 175.30 174.99 3ab4 s VAL 229 N 0.66 4.97 0.16 4.99 1.01 -0.55 -1.79 120.40 129.84 3ab4 s VAL 229 Ca -0.04 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3ab4 s VAL 229 Cb -0.06 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3ab4 s VAL 229 CO -0.04 -0.09 0.04 -0.13 0.00 0.00 0.00 175.10 174.88 3ab4 s ARG 230 N 2.52 1.03 0.01 2.72 0.52 -0.86 -2.06 118.95 122.83 3ab4 s ARG 230 Ca 0.24 -1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 3ab4 s ARG 230 Cb -0.15 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 3ab4 s ARG 230 CO 0.11 -0.21 0.12 0.45 0.02 0.00 0.00 175.30 175.79 3ab4 s SER 231 N -3.12 5.90 0.00 0.23 0.15 -1.24 -3.00 113.70 112.63 3ab4 s SER 231 Ca 0.25 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.27 3ab4 s SER 231 Cb 0.07 -1.74 0.81 0.00 -1.71 0.00 0.00 66.02 63.46 3ab4 s SER 231 CO 0.03 0.25 1.57 -1.20 1.20 0.00 0.00 173.24 175.09 3ab4 n SER 232 N 0.94 0.00 -2.56 5.45 7.64 -1.22 -3.71 113.62 120.16 3ab4 n SER 232 Ca -0.11 0.35 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 3ab4 n SER 232 Cb 0.52 -0.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3ab4 n SER 232 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ab4 n TYR 233 N -1.43 1.97 -3.53 1.43 4.01 -1.26 -4.78 117.16 113.57 3ab4 n TYR 233 Ca 0.06 -2.60 -0.15 0.00 -0.16 0.00 0.00 57.90 55.05 3ab4 n TYR 233 Cb 0.19 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 3ab4 n TYR 233 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ab4 s SER 234 N -3.47 -0.55 0.02 7.72 0.15 -1.24 -5.02 113.70 111.31 3ab4 s SER 234 Ca 0.36 0.51 0.27 0.00 0.70 0.00 0.00 55.95 57.79 3ab4 s SER 234 Cb 0.40 0.46 0.83 0.00 -1.71 0.00 0.00 66.02 66.01 3ab4 s SER 234 CO -0.03 -0.56 1.66 -0.46 1.20 0.00 0.00 173.24 175.04 3ab4 n ASN 235 N 0.67 0.32 -4.72 5.45 6.94 -1.26 -4.86 115.26 117.80 3ab4 n ASN 235 Ca -0.15 0.16 -0.42 0.00 -0.02 0.00 0.00 54.58 54.15 3ab4 n ASN 235 Cb 0.58 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 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 -3.20 6.43 0.33 0.53 2.15 -1.26 -4.91 116.67 116.74 3ab4 s ASP 236 Ca 0.12 2.80 0.06 0.00 0.43 0.00 0.00 52.55 55.96 3ab4 s ASP 236 Cb 0.17 -2.59 0.73 0.00 -0.30 0.00 0.00 42.92 40.93 3ab4 s ASP 236 CO 0.62 -0.94 1.86 -0.65 -0.17 0.00 0.00 175.17 175.88 3ab4 h PRO 237 N 7.03 0.77 0.00 4.34 0.11 -1.93 -3.44 132.00 138.87 3ab4 h PRO 237 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ab4 h PRO 237 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ab4 h PRO 237 CO 0.95 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 179.66 3ab4 n GLY 238 N -1.40 -1.77 3.49 -0.55 0.00 -1.26 -4.76 105.19 98.94 3ab4 n GLY 238 Ca 0.18 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 4.60 -0.19 2.61 2.01 -0.88 -4.72 115.64 119.08 3ab4 s THR 239 Ca 0.00 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 3ab4 s THR 239 Cb 0.00 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 3ab4 s THR 239 CO 0.00 0.32 0.94 -0.22 -0.69 0.00 0.00 174.62 174.97 3ab4 s LEU 240 N 1.58 4.15 -0.40 4.42 2.96 0.47 -1.49 118.68 130.37 3ab4 s LEU 240 Ca 0.06 1.30 -0.07 0.00 -0.22 0.00 0.00 54.13 55.21 3ab4 s LEU 240 Cb -0.15 -3.40 0.08 0.00 0.50 0.00 0.00 46.19 43.22 3ab4 s LEU 240 CO 0.05 -0.52 0.22 -0.51 -1.32 0.00 0.00 176.35 174.28 3ab4 s ILE 241 N 2.57 3.86 0.00 6.68 1.10 0.66 -1.60 121.20 134.46 3ab4 s ILE 241 Ca 0.42 -1.57 0.00 0.00 -0.51 0.00 0.00 60.65 58.99 3ab4 s ILE 241 Cb -0.16 -3.42 0.00 0.00 0.15 0.00 0.00 42.46 39.03 3ab4 s ILE 241 CO 0.11 -0.52 0.00 0.00 -2.11 0.00 0.00 174.94 172.42 3ab4 n ALA 242 N 4.81 1.51 -2.04 1.50 0.00 -0.87 -0.41 120.51 125.01 3ab4 n ALA 242 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3ab4 n ALA 242 Cb 0.42 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.03 2.69 0.20 0.00 0.00 -1.25 -4.79 107.32 102.15 3ab4 s GLY 243 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 3ab4 s GLY 243 CO 0.00 0.64 1.06 -0.45 0.00 0.00 0.00 173.10 174.35 3ab4 s SER 244 N -1.55 7.35 0.49 1.64 0.15 -1.26 0.16 113.70 120.68 3ab4 s SER 244 Ca 0.43 2.07 0.28 0.00 0.70 0.00 0.00 55.95 59.42 3ab4 s SER 244 Cb -0.18 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 62.72 3ab4 s SER 244 CO 0.22 -0.13 1.94 0.00 1.20 0.00 0.00 173.24 176.47 3ab4 h MET 245 N 4.78 0.00 -0.68 5.44 -0.00 -1.96 -2.29 114.93 120.22 3ab4 h MET 245 Ca -0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.18 3ab4 h MET 245 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.78 3ab4 h MET 245 CO 0.71 0.14 0.12 0.93 -0.00 0.00 0.00 176.91 178.81 3ab4 h GLU 246 N 0.00 1.12 0.00 -0.10 3.07 -2.02 -2.90 114.58 113.76 3ab4 h GLU 246 Ca -0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3ab4 h GLU 246 Cb 0.58 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3ab4 h GLU 246 CO 0.02 1.02 0.00 -0.25 -1.40 0.00 0.00 179.01 178.40 3ab4 n ASP 247 N -4.22 0.00 -4.74 1.42 9.92 -0.87 -4.87 116.55 113.19 3ab4 n ASP 247 Ca 0.05 -0.10 -0.41 0.00 -0.53 0.00 0.00 54.79 53.79 3ab4 n ASP 247 Cb 0.29 -0.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.46 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 -2.56 2.79 0.07 0.53 -1.09 -1.10 -4.98 121.20 114.85 3ab4 s ILE 248 Ca 0.25 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 3ab4 s ILE 248 Cb 0.18 -3.41 -0.07 0.00 -1.58 0.00 0.00 42.46 37.58 3ab4 s ILE 248 CO 0.40 0.09 1.41 -2.84 -1.23 0.00 0.00 174.94 172.77 3ab4 s PRO 249 N -0.04 4.30 0.07 2.79 0.02 -1.26 -4.88 135.00 136.00 3ab4 s PRO 249 Ca 0.61 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 63.55 3ab4 s PRO 249 Cb -0.41 -3.40 -0.03 0.00 0.02 0.00 0.00 34.50 30.68 3ab4 s PRO 249 CO 0.40 -0.51 0.83 1.33 -0.33 0.00 0.00 177.00 178.72 3ab4 n VAL 250 N 4.27 -0.28 -0.27 3.83 0.24 -1.26 -0.20 118.33 124.67 3ab4 n VAL 250 Ca 0.12 1.29 0.10 0.00 -2.04 0.00 0.00 64.34 63.82 3ab4 n VAL 250 Cb 0.43 -1.63 0.20 0.00 -1.47 0.00 0.00 33.84 31.37 3ab4 n VAL 250 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3ab4 n GLU 251 N -4.08 -0.06 0.05 7.34 0.28 -1.26 0.20 120.64 123.10 3ab4 n GLU 251 Ca 0.01 1.15 0.12 0.00 -0.16 0.00 0.00 57.16 58.29 3ab4 n GLU 251 Cb 0.11 -1.81 0.49 0.00 1.43 0.00 0.00 31.44 31.66 3ab4 n GLU 251 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ab4 n GLU 252 N -5.10 0.10 -2.47 3.44 1.02 0.72 -4.44 120.64 113.91 3ab4 n GLU 252 Ca 0.17 0.16 -0.38 0.00 -0.02 0.00 0.00 57.16 57.08 3ab4 n GLU 252 Cb 0.55 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.07 2.54 0.34 0.62 0.00 0.52 -4.93 121.76 117.79 3ab4 s ALA 253 Ca 0.11 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.91 3ab4 s ALA 253 Cb 0.14 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.72 3ab4 s ALA 253 CO 0.49 -3.83 0.00 1.55 0.00 0.00 0.00 175.76 173.97 3ab4 n VAL 254 N 7.05 0.00 -2.81 0.00 3.14 -1.26 -3.85 118.33 120.59 3ab4 n VAL 254 Ca 0.35 -1.61 -0.42 0.00 -2.96 0.00 0.00 64.34 59.70 3ab4 n VAL 254 Cb 0.50 0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 33.57 3ab4 n VAL 254 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3ab4 s LEU 255 N 0.00 4.28 -0.22 6.55 1.43 -1.26 -1.19 118.68 128.27 3ab4 s LEU 255 Ca 0.00 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 3ab4 s LEU 255 Cb -0.00 -3.39 -0.15 0.00 0.03 0.00 0.00 46.19 42.68 3ab4 s LEU 255 CO 0.00 -0.32 -0.00 0.41 0.23 0.00 0.00 176.35 176.67 3ab4 n THR 256 N 4.27 1.52 -3.76 5.49 -1.04 -0.88 -4.96 114.28 114.92 3ab4 n THR 256 Ca 0.05 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 61.96 3ab4 n THR 256 Cb 0.50 -2.06 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 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 -4.94 -0.19 -0.10 3.41 0.00 -0.96 -4.71 107.32 99.83 3ab4 s GLY 257 Ca -0.30 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3ab4 s GLY 257 CO 0.51 0.53 -0.11 0.14 0.00 0.00 0.00 173.10 174.18 3ab4 s VAL 258 N -2.92 1.17 0.22 1.40 1.01 -0.51 -1.54 120.40 119.25 3ab4 s VAL 258 Ca 0.15 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3ab4 s VAL 258 Cb -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3ab4 s VAL 258 CO 0.02 0.38 -0.19 0.00 0.00 0.00 0.00 175.10 175.30 3ab4 s ALA 259 N 1.16 2.70 -0.02 5.51 0.00 -0.73 -4.22 121.76 126.15 3ab4 s ALA 259 Ca -0.05 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.24 3ab4 s ALA 259 Cb -0.14 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3ab4 s ALA 259 CO -0.03 0.38 -0.07 0.99 0.00 0.00 0.00 175.76 177.03 3ab4 s THR 260 N -1.98 0.64 -0.08 0.00 2.01 -1.26 -1.24 115.64 113.73 3ab4 s THR 260 Ca 0.25 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 3ab4 s THR 260 Cb -0.07 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.91 3ab4 s THR 260 CO 0.13 0.21 0.12 -0.62 -0.69 0.00 0.00 174.62 173.77 3ab4 s ASP 261 N 0.25 1.07 -0.08 3.53 2.15 0.42 -4.46 116.67 119.55 3ab4 s ASP 261 Ca -0.03 0.12 0.12 0.00 0.43 0.00 0.00 52.55 53.19 3ab4 s ASP 261 Cb -0.08 0.08 0.21 0.00 -0.30 0.00 0.00 42.92 42.83 3ab4 s ASP 261 CO 0.00 -0.26 1.13 2.29 -0.17 0.00 0.00 175.17 178.16 3ab4 n LYS 262 N 5.31 2.10 -0.21 4.34 2.85 -1.26 0.17 118.16 131.46 3ab4 n LYS 262 Ca -0.04 -2.20 0.11 0.00 -1.05 0.00 0.00 58.31 55.12 3ab4 n LYS 262 Cb 0.50 -1.35 0.27 0.00 -0.65 0.00 0.00 35.03 33.80 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 263 N -0.93 2.93 -4.42 -5.58 3.41 -1.26 -4.97 113.62 102.80 3ab4 n SER 263 Ca 0.11 -1.94 -0.27 0.00 -0.26 0.00 0.00 58.87 56.51 3ab4 n SER 263 Cb 0.52 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.45 1.52 0.15 4.33 2.02 -1.26 -2.51 118.70 121.50 3ab4 s GLU 264 Ca 0.37 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.88 3ab4 s GLU 264 Cb 0.21 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 3ab4 s GLU 264 CO 0.28 0.39 0.08 0.00 0.02 0.00 0.00 175.26 176.03 3ab4 s ALA 265 N -1.74 3.44 -0.19 5.21 0.00 0.10 -4.33 121.76 124.25 3ab4 s ALA 265 Ca 0.21 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3ab4 s ALA 265 Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3ab4 s ALA 265 CO 0.10 0.56 -0.02 0.21 0.00 0.00 0.00 175.76 176.60 3ab4 s LYS 266 N -2.87 3.56 -0.06 0.00 2.20 -0.03 -1.59 119.74 120.94 3ab4 s LYS 266 Ca 0.29 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 3ab4 s LYS 266 Cb -0.10 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 3ab4 s LYS 266 CO 0.21 0.01 -0.11 0.08 -0.36 0.00 0.00 175.35 175.18 3ab4 s VAL 267 N 0.99 3.34 -0.07 4.02 1.01 0.30 -2.20 120.40 127.79 3ab4 s VAL 267 Ca 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3ab4 s VAL 267 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ab4 s VAL 267 CO 0.01 0.59 -0.09 -0.89 0.00 0.00 0.00 175.10 174.72 3ab4 s THR 268 N -0.71 0.94 -0.21 3.92 2.01 -0.99 0.06 115.64 120.67 3ab4 s THR 268 Ca 0.11 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3ab4 s THR 268 Cb -0.11 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 3ab4 s THR 268 CO 0.01 0.32 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.55 3ab4 s VAL 269 N 0.91 3.65 0.04 3.82 1.01 0.21 0.09 120.40 130.13 3ab4 s VAL 269 Ca -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3ab4 s VAL 269 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3ab4 s VAL 269 CO 0.01 0.43 0.17 -0.76 0.00 0.00 0.00 175.10 174.94 3ab4 s LEU 270 N 1.20 4.22 -0.57 3.92 1.43 0.40 -1.14 118.68 128.14 3ab4 s LEU 270 Ca 0.03 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3ab4 s LEU 270 Cb -0.14 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3ab4 s LEU 270 CO 0.00 0.20 0.48 0.61 0.23 0.00 0.00 176.35 177.87 3ab4 n GLY 271 N 0.55 0.15 3.66 -3.19 0.00 -1.09 -1.74 105.19 103.52 3ab4 n GLY 271 Ca -0.08 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.16 5.19 0.37 -0.61 1.01 0.10 -3.97 121.20 120.14 3ab4 s ILE 272 Ca 0.09 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.16 3ab4 s ILE 272 Cb -0.04 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 3ab4 s ILE 272 CO 0.33 0.22 1.43 -0.94 0.00 0.00 0.00 174.94 175.98 3ab4 s SER 273 N 1.18 6.40 -1.33 3.58 1.04 -1.26 -0.20 113.70 123.11 3ab4 s SER 273 Ca 0.18 2.93 -0.14 0.00 0.48 0.00 0.00 55.95 59.41 3ab4 s SER 273 Cb -0.15 -2.66 0.10 0.00 0.10 0.00 0.00 66.02 63.41 3ab4 s SER 273 CO 0.08 -0.82 1.88 -0.67 0.98 0.00 0.00 173.24 174.70 3ab4 n ASP 274 N 0.46 4.67 -4.02 7.02 4.64 -1.12 -4.81 116.55 123.40 3ab4 n ASP 274 Ca 0.01 -2.95 -0.17 0.00 -1.38 0.00 0.00 54.79 50.30 3ab4 n ASP 274 Cb 0.40 -1.63 -0.14 0.00 -1.04 0.00 0.00 41.12 38.72 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 2.52 0.63 0.31 -0.67 1.02 -1.26 -5.07 119.74 117.23 3ab4 s LYS 275 Ca 0.46 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 3ab4 s LYS 275 Cb 0.07 -0.59 -0.13 0.00 -0.52 0.00 0.00 37.83 36.66 3ab4 s LYS 275 CO -0.01 0.16 1.11 -2.30 -0.92 0.00 0.00 175.35 173.39 3ab4 n PRO 276 N 2.63 1.64 -0.09 -1.68 -0.02 -1.26 -2.41 135.00 133.81 3ab4 n PRO 276 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3ab4 n PRO 276 Cb 0.57 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.05 1.58 0.22 -1.23 0.00 -1.26 -4.89 105.19 100.66 3ab4 n GLY 277 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 3.01 0.77 -0.65 1.61 4.39 -1.79 -2.30 114.58 119.61 3ab4 h GLU 278 Ca 0.00 -0.55 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 3ab4 h GLU 278 Cb 0.00 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3ab4 h GLU 278 CO 0.00 1.17 0.21 0.00 -1.16 0.00 0.00 179.01 179.23 3ab4 h ALA 279 N 0.60 1.13 -0.02 3.43 0.00 -1.90 -2.11 119.26 120.38 3ab4 h ALA 279 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3ab4 h ALA 279 Cb 1.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ab4 h ALA 279 CO 0.13 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.84 3ab4 h ALA 280 N 1.26 1.72 -0.69 0.00 0.00 -1.92 -2.39 119.26 117.24 3ab4 h ALA 280 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 280 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3ab4 h ALA 280 CO -0.01 0.21 0.31 -0.22 0.00 0.00 0.00 179.25 179.54 3ab4 h LYS 281 N 0.04 0.99 0.15 0.00 3.64 -0.79 -1.65 116.57 118.94 3ab4 h LYS 281 Ca 0.01 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 59.02 3ab4 h LYS 281 Cb 0.27 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3ab4 h LYS 281 CO 0.02 0.78 -0.95 0.28 -2.27 0.00 0.00 179.45 177.31 3ab4 h VAL 282 N 0.99 1.45 0.00 2.00 2.07 -1.39 -3.19 116.25 118.18 3ab4 h VAL 282 Ca 0.24 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3ab4 h VAL 282 Cb 0.13 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3ab4 h VAL 282 CO -0.03 0.73 -0.70 -0.26 0.02 0.00 0.00 177.57 177.33 3ab4 h PHE 283 N -0.21 0.00 -0.32 1.57 0.04 -1.54 -2.20 116.94 114.29 3ab4 h PHE 283 Ca -0.16 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.44 3ab4 h PHE 283 Cb 1.73 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.88 3ab4 h PHE 283 CO 0.17 0.00 -0.47 -0.09 -0.60 0.00 0.00 178.31 177.33 3ab4 h ARG 284 N 0.00 0.88 -0.25 1.51 9.65 -1.45 -1.15 114.38 123.58 3ab4 h ARG 284 Ca 0.00 -0.52 -0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3ab4 h ARG 284 Cb 0.84 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 3ab4 h ARG 284 CO 0.00 1.16 0.15 0.00 2.80 0.00 0.00 179.97 184.08 3ab4 h ALA 285 N 0.71 0.32 -0.33 2.80 0.00 -1.51 -1.81 119.26 119.43 3ab4 h ALA 285 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3ab4 h ALA 285 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ab4 h ALA 285 CO 0.11 -0.18 -0.38 -0.07 0.00 0.00 0.00 179.25 178.73 3ab4 h LEU 286 N 0.31 0.83 -0.98 0.00 3.38 -1.44 -2.98 115.31 114.42 3ab4 h LEU 286 Ca 0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3ab4 h LEU 286 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3ab4 h LEU 286 CO -0.02 1.12 0.50 0.00 0.09 0.00 0.00 178.44 180.13 3ab4 h ALA 287 N 0.92 1.23 -0.37 1.53 0.00 -1.09 -2.27 119.26 119.20 3ab4 h ALA 287 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3ab4 h ALA 287 Cb 0.93 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ab4 h ALA 287 CO 0.09 0.64 -0.00 -0.44 0.00 0.00 0.00 179.25 179.53 3ab4 h ASP 288 N 1.22 0.55 -0.55 0.00 3.32 -1.19 -2.57 116.42 117.21 3ab4 h ASP 288 Ca 0.31 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 57.07 3ab4 h ASP 288 Cb -0.00 -0.15 -0.11 0.00 0.22 0.00 0.00 39.33 39.29 3ab4 h ASP 288 CO -0.05 0.63 0.23 0.00 -1.72 0.00 0.00 179.24 178.33 3ab4 n ALA 289 N -2.48 4.07 -3.86 3.45 0.00 -0.90 -4.92 120.51 115.87 3ab4 n ALA 289 Ca 0.02 -1.67 -0.30 0.00 0.00 0.00 0.00 53.44 51.49 3ab4 n ALA 289 Cb 0.26 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.11 -2.57 -2.81 0.00 1.02 -0.97 -4.93 120.64 110.27 3ab4 n GLU 290 Ca 0.31 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 3ab4 n GLU 290 Cb 1.12 -4.96 -0.03 0.00 -0.02 0.00 0.00 31.44 27.54 3ab4 n GLU 290 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ab4 s ILE 291 N -3.02 4.81 -0.04 -3.67 1.01 -0.92 -5.00 121.20 114.37 3ab4 s ILE 291 Ca 0.59 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.70 3ab4 s ILE 291 Cb -0.33 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3ab4 s ILE 291 CO 0.72 -0.06 1.40 0.20 0.00 0.00 0.00 174.94 177.21 3ab4 s ASN 292 N 1.21 6.85 -0.20 3.58 0.02 -1.26 -4.66 114.94 120.48 3ab4 s ASN 292 Ca 0.40 2.03 -0.07 0.00 -1.02 0.00 0.00 52.86 54.20 3ab4 s ASN 292 Cb -0.16 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.52 3ab4 s ASN 292 CO 0.10 -0.75 0.06 -0.63 0.02 0.00 0.00 177.10 175.90 3ab4 s ILE 293 N 2.84 4.54 -0.28 0.60 1.09 -1.26 -4.12 121.20 124.62 3ab4 s ILE 293 Ca 0.63 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.94 3ab4 s ILE 293 Cb -0.29 -3.07 -0.12 0.00 -1.06 0.00 0.00 42.46 37.91 3ab4 s ILE 293 CO 0.24 0.42 -0.35 -0.67 -0.10 0.00 0.00 174.94 174.48 3ab4 n ASP 294 N 4.04 1.96 -3.80 3.58 4.64 -0.34 -5.03 116.55 121.61 3ab4 n ASP 294 Ca -0.16 0.32 -0.13 0.00 -1.38 0.00 0.00 54.79 53.43 3ab4 n ASP 294 Cb 0.52 -0.80 -0.14 0.00 -1.04 0.00 0.00 41.12 39.66 3ab4 n ASP 294 CO 0.00 0.00 0.00 -0.32 -0.82 0.00 0.00 177.20 176.06 3ab4 s MET 295 N -2.51 0.10 -0.02 -0.67 0.00 -1.24 -4.98 119.30 109.99 3ab4 s MET 295 Ca -0.39 0.24 0.03 0.00 0.00 0.00 0.00 55.69 55.57 3ab4 s MET 295 Cb 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 34.83 34.92 3ab4 s MET 295 CO 0.50 -0.08 -0.11 0.54 0.00 0.00 0.00 175.02 175.86 3ab4 s VAL 296 N 0.55 0.92 -0.05 10.11 0.11 -1.26 0.13 120.40 130.90 3ab4 s VAL 296 Ca -0.04 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 3ab4 s VAL 296 Cb -0.06 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3ab4 s VAL 296 CO -0.02 0.27 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.16 3ab4 s LEU 297 N -0.04 1.58 -0.05 2.54 1.02 0.15 -4.99 118.68 118.89 3ab4 s LEU 297 Ca 0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.93 3ab4 s LEU 297 Cb -0.07 -0.65 0.03 0.00 0.02 0.00 0.00 46.19 45.52 3ab4 s LEU 297 CO 0.00 0.02 -0.01 -1.58 0.02 0.00 0.00 176.35 174.80 3ab4 s GLN 298 N 0.62 0.53 0.00 1.70 0.74 -1.26 -2.03 119.66 119.96 3ab4 s GLN 298 Ca -0.11 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.35 3ab4 s GLN 298 Cb -0.14 -0.73 0.00 0.00 1.10 0.00 0.00 33.01 33.24 3ab4 s GLN 298 CO 0.02 -0.18 0.00 -1.71 -0.55 0.00 0.00 175.29 172.87 3ab4 n ASN 299 N 4.46 1.63 -4.00 6.67 4.05 -1.26 -5.12 115.26 121.69 3ab4 n ASN 299 Ca -0.19 -0.07 -0.09 0.00 0.45 0.00 0.00 54.58 54.69 3ab4 n ASN 299 Cb 0.50 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.41 3ab4 n ASN 299 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3ab4 s VAL 300 N 1.07 0.14 0.00 3.44 -7.23 -1.26 -4.73 120.40 111.83 3ab4 s VAL 300 Ca 0.00 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3ab4 s VAL 300 Cb 0.00 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.21 3ab4 s VAL 300 CO 0.00 -0.65 0.00 -0.90 -0.31 0.00 0.00 175.10 173.24 3ab4 n ASP 305 N 1.03 0.00 -1.15 4.85 3.85 -1.26 -5.10 116.55 118.77 3ab4 n ASP 305 Ca -0.20 0.00 -0.15 0.00 -0.71 0.00 0.00 54.79 53.73 3ab4 n ASP 305 Cb 0.57 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.28 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 1.52 3.30 6.12 0.00 -1.26 -5.00 105.19 109.88 3ab4 n GLY 306 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.52 1.58 0.38 2.61 -4.23 -1.26 -2.80 115.64 109.40 3ab4 s THR 307 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 3ab4 s THR 307 Cb 0.00 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 3ab4 s THR 307 CO 0.00 -0.52 0.08 1.07 -0.54 0.00 0.00 174.62 174.71 3ab4 n THR 308 N -0.01 0.00 -4.87 3.99 5.66 0.73 -4.86 114.28 114.92 3ab4 n THR 308 Ca -0.11 -2.06 -0.28 0.00 -3.05 0.00 0.00 64.05 58.55 3ab4 n THR 308 Cb 0.59 0.63 -0.15 0.00 -1.55 0.00 0.00 70.33 69.85 3ab4 n THR 308 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ab4 s ASP 309 N -3.25 2.74 -0.17 1.09 -0.00 -1.26 -0.72 116.67 115.11 3ab4 s ASP 309 Ca 0.12 -0.51 0.00 0.00 -0.00 0.00 0.00 52.55 52.16 3ab4 s ASP 309 Cb 0.01 -0.26 0.01 0.00 -0.00 0.00 0.00 42.92 42.67 3ab4 s ASP 309 CO 0.08 0.23 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.69 3ab4 s ILE 310 N -0.72 2.45 -0.02 0.77 1.01 -0.29 -4.41 121.20 120.00 3ab4 s ILE 310 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3ab4 s ILE 310 Cb -0.09 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3ab4 s ILE 310 CO 0.01 0.52 0.03 -0.89 0.00 0.00 0.00 174.94 174.61 3ab4 s THR 311 N 1.08 4.40 0.17 2.92 2.01 -0.86 0.64 115.64 126.01 3ab4 s THR 311 Ca -0.00 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 3ab4 s THR 311 Cb -0.14 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 3ab4 s THR 311 CO -0.05 0.40 0.25 0.72 -0.69 0.00 0.00 174.62 175.25 3ab4 s PHE 312 N -1.10 0.58 -0.05 4.92 -0.12 0.11 -0.68 117.98 121.64 3ab4 s PHE 312 Ca 0.20 -0.92 0.04 0.00 -0.05 0.00 0.00 56.93 56.20 3ab4 s PHE 312 Cb -0.12 -0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.10 3ab4 s PHE 312 CO 0.10 -0.71 -0.18 -0.08 -0.05 0.00 0.00 175.22 174.31 3ab4 s THR 313 N -4.01 1.48 0.07 -4.49 -1.32 0.12 -0.54 115.64 106.94 3ab4 s THR 313 Ca 0.22 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 59.93 3ab4 s THR 313 Cb 0.04 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 3ab4 s THR 313 CO 0.03 0.43 0.04 0.00 -2.21 0.00 0.00 174.62 172.91 3ab4 n PRO 315 N 0.04 1.41 -0.35 0.00 -0.02 -1.26 0.00 135.00 134.83 3ab4 n PRO 315 Ca -0.13 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3ab4 n PRO 315 Cb 0.62 -2.16 0.29 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.47 0.85 0.00 -0.52 -0.00 -1.78 -1.49 114.38 112.90 3ab4 h ARG 316 Ca -0.46 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 58.95 3ab4 h ARG 316 Cb 1.33 -0.19 -0.00 0.00 0.00 0.00 0.00 29.97 31.11 3ab4 h ARG 316 CO 0.56 0.56 -0.09 0.66 0.00 0.00 0.00 179.97 181.67 3ab4 h SER 317 N 0.87 0.00 1.27 7.04 4.64 -1.90 -1.66 113.55 123.82 3ab4 h SER 317 Ca 0.52 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.70 3ab4 h SER 317 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3ab4 h SER 317 CO -0.30 0.09 -0.75 0.44 -0.87 0.00 0.00 176.83 175.44 3ab4 h ASP 318 N 0.00 0.00 -0.76 4.97 3.32 -1.64 -3.40 116.42 118.92 3ab4 h ASP 318 Ca -0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 3ab4 h ASP 318 Cb 0.45 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.86 3ab4 h ASP 318 CO 0.01 0.63 -0.16 1.23 -1.72 0.00 0.00 179.24 179.23 3ab4 h GLY 319 N 3.42 0.59 0.90 2.75 0.00 -0.80 0.52 103.07 110.44 3ab4 h GLY 319 Ca -0.03 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3ab4 h GLY 319 CO 0.08 -0.29 0.08 -0.09 0.00 0.00 0.00 176.54 176.32 3ab4 h ARG 320 N 0.01 0.28 0.00 4.80 1.12 -1.77 -0.30 114.38 118.52 3ab4 h ARG 320 Ca 0.37 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 59.09 3ab4 h ARG 320 Cb 0.58 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 3ab4 h ARG 320 CO -0.76 0.33 -0.50 -0.09 -3.11 0.00 0.00 179.97 175.84 3ab4 h ARG 321 N 0.17 0.00 -0.64 0.20 2.43 -1.69 -0.48 114.38 114.37 3ab4 h ARG 321 Ca 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3ab4 h ARG 321 Cb 0.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3ab4 h ARG 321 CO -0.01 0.50 0.31 0.00 -1.51 0.00 0.00 179.97 179.26 3ab4 h ALA 322 N 1.50 0.82 -0.45 2.80 0.00 -0.43 -1.97 119.26 121.54 3ab4 h ALA 322 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3ab4 h ALA 322 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ab4 h ALA 322 CO 0.06 0.39 -0.23 0.52 0.00 0.00 0.00 179.25 179.99 3ab4 h MET 323 N 0.88 0.93 -0.37 0.00 2.86 -0.61 -2.41 114.93 116.21 3ab4 h MET 323 Ca 0.22 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3ab4 h MET 323 Cb 0.12 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3ab4 h MET 323 CO -0.03 1.06 0.14 1.49 1.06 0.00 0.00 176.91 180.63 3ab4 h GLU 324 N 0.80 0.55 0.37 1.72 4.81 -1.02 -1.21 114.58 120.60 3ab4 h GLU 324 Ca 0.10 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ab4 h GLU 324 Cb 0.79 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3ab4 h GLU 324 CO 0.07 0.54 -0.24 0.82 -0.73 0.00 0.00 179.01 179.46 3ab4 h ILE 325 N 0.44 0.49 -0.01 2.32 2.04 -1.36 -3.21 117.51 118.23 3ab4 h ILE 325 Ca 0.12 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.85 3ab4 h ILE 325 Cb 0.19 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ab4 h ILE 325 CO -0.01 0.00 -0.62 -0.07 0.00 0.00 0.00 178.15 177.45 3ab4 h LEU 326 N -0.59 0.03 -0.95 1.44 4.07 -1.36 -2.91 115.31 115.03 3ab4 h LEU 326 Ca -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3ab4 h LEU 326 Cb 0.50 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3ab4 h LEU 326 CO 0.03 0.64 0.44 0.11 -1.08 0.00 0.00 178.44 178.57 3ab4 h LYS 327 N 0.02 1.18 0.33 1.13 1.79 -1.27 -2.57 116.57 117.17 3ab4 h LYS 327 Ca -0.01 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3ab4 h LYS 327 Cb 1.10 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 3ab4 h LYS 327 CO 0.08 0.88 -0.48 0.87 -1.08 0.00 0.00 179.45 179.72 3ab4 h LYS 328 N 1.18 -0.82 -0.07 3.15 6.56 -1.52 -2.67 116.57 122.38 3ab4 h LYS 328 Ca 0.29 0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.96 3ab4 h LYS 328 Cb 0.06 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 3ab4 h LYS 328 CO -0.04 -0.55 0.07 -0.07 -2.06 0.00 0.00 179.45 176.80 3ab4 h LEU 329 N -0.86 0.00 -0.71 2.94 4.07 -1.56 -1.47 115.31 117.71 3ab4 h LEU 329 Ca -0.03 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.99 3ab4 h LEU 329 Cb 0.79 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.48 3ab4 h LEU 329 CO -0.15 0.00 0.41 -0.61 -1.08 0.00 0.00 178.44 177.01 3ab4 h GLN 330 N 0.00 0.73 -0.18 1.13 4.15 -1.10 -2.95 115.11 116.89 3ab4 h GLN 330 Ca 0.03 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.43 3ab4 h GLN 330 Cb 0.17 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ab4 h GLN 330 CO -0.00 0.49 0.04 0.28 -1.93 0.00 0.00 178.83 177.70 3ab4 h VAL 331 N 0.76 0.92 -4.01 2.39 2.07 -1.29 -3.38 116.25 113.71 3ab4 h VAL 331 Ca 0.32 -0.04 -0.53 0.00 0.82 0.00 0.00 66.70 67.27 3ab4 h VAL 331 Cb 0.18 0.80 0.10 0.00 -1.52 0.00 0.00 31.29 30.84 3ab4 h VAL 331 CO -0.18 0.02 0.56 -1.10 0.02 0.00 0.00 177.57 176.89 3ab4 s GLN 332 N -6.18 3.54 0.00 1.57 1.11 -1.11 -4.71 119.66 113.87 3ab4 s GLN 332 Ca -0.13 2.03 -0.10 0.00 0.01 0.00 0.00 55.36 57.17 3ab4 s GLN 332 Cb 0.09 -2.41 -0.13 0.00 -1.01 0.00 0.00 33.01 29.56 3ab4 s GLN 332 CO 0.69 -0.81 0.91 0.41 0.01 0.00 0.00 175.29 176.50 3ab4 n GLY 333 N 0.59 0.62 0.00 3.09 0.00 -1.26 -4.44 105.19 103.79 3ab4 n GLY 333 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3ab4 n GLY 333 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ab4 n ASN 334 N 5.57 0.00 -4.88 1.61 5.03 -1.26 -5.13 115.26 116.20 3ab4 n ASN 334 Ca 0.16 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.31 3ab4 n ASN 334 Cb 0.20 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.93 3ab4 n ASN 334 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3ab4 s TRP 335 N 2.12 3.48 0.10 3.10 -2.14 -1.26 -4.88 118.94 119.45 3ab4 s TRP 335 Ca 0.00 1.04 0.07 0.00 2.66 0.00 0.00 56.10 59.86 3ab4 s TRP 335 Cb 0.00 -2.44 -0.22 0.00 -3.10 0.00 0.00 33.47 27.71 3ab4 s TRP 335 CO 0.00 -0.13 1.19 1.79 -2.66 0.00 0.00 176.95 177.14 3ab4 h THR 336 N 1.00 1.60 -2.39 0.66 1.35 -1.47 -3.45 112.91 110.21 3ab4 h THR 336 Ca -0.47 -3.31 0.05 0.00 -0.55 0.00 0.00 66.41 62.13 3ab4 h THR 336 Cb 1.19 2.81 -0.15 0.00 -1.73 0.00 0.00 68.15 70.26 3ab4 h THR 336 CO 0.64 0.92 0.39 0.21 -0.25 0.00 0.00 175.52 177.42 3ab4 s ASN 337 N -6.68 -0.45 -0.03 5.36 3.84 -1.23 -5.02 114.94 110.73 3ab4 s ASN 337 Ca -0.00 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.18 3ab4 s ASN 337 Cb 0.09 0.45 0.03 0.00 -0.55 0.00 0.00 41.25 41.28 3ab4 s ASN 337 CO 0.83 -0.69 0.00 0.54 -2.79 0.00 0.00 177.10 174.98 3ab4 s VAL 338 N -2.92 0.16 0.16 -5.21 0.11 -1.26 -0.45 120.40 111.00 3ab4 s VAL 338 Ca 0.02 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 3ab4 s VAL 338 Cb -0.01 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 3ab4 s VAL 338 CO -0.07 0.14 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.05 3ab4 s LEU 339 N 1.03 3.23 -0.02 2.54 1.43 0.11 -4.95 118.68 122.06 3ab4 s LEU 339 Ca -0.10 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3ab4 s LEU 339 Cb -0.13 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3ab4 s LEU 339 CO -0.02 0.10 -0.12 -0.47 0.23 0.00 0.00 176.35 176.08 3ab4 s TYR 340 N -1.65 1.13 -0.25 0.29 5.04 -1.26 -2.36 117.35 118.28 3ab4 s TYR 340 Ca 0.26 -0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.62 3ab4 s TYR 340 Cb -0.09 -0.75 0.14 0.00 0.35 0.00 0.00 41.96 41.61 3ab4 s TYR 340 CO 0.17 -0.06 0.41 0.34 -1.34 0.00 0.00 175.55 175.07 3ab4 s ASP 341 N -0.12 0.06 -0.19 4.32 3.68 -0.94 -5.03 116.67 118.45 3ab4 s ASP 341 Ca 0.02 0.26 0.16 0.00 2.13 0.00 0.00 52.55 55.12 3ab4 s ASP 341 Cb -0.07 1.24 0.56 0.00 -1.45 0.00 0.00 42.92 43.21 3ab4 s ASP 341 CO 0.00 -0.30 1.46 -0.90 0.13 0.00 0.00 175.17 175.56 3ab4 n ASP 342 N 5.37 4.02 -0.30 -0.34 5.68 -1.26 -0.85 116.55 128.87 3ab4 n ASP 342 Ca -0.03 -3.05 0.09 0.00 -0.50 0.00 0.00 54.79 51.31 3ab4 n ASP 342 Cb 0.50 -0.57 0.17 0.00 -1.14 0.00 0.00 41.12 40.09 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ab4 n GLN 343 N -0.43 1.69 -2.65 0.11 6.02 -1.26 -4.90 117.38 115.96 3ab4 n GLN 343 Ca 0.23 -2.67 -0.34 0.00 -0.01 0.00 0.00 57.00 54.20 3ab4 n GLN 343 Cb 0.94 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.56 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ab4 s VAL 344 N -2.88 3.99 0.02 5.09 -7.23 -1.26 -0.82 120.40 117.31 3ab4 s VAL 344 Ca 0.35 1.31 0.05 0.00 -1.81 0.00 0.00 61.98 61.88 3ab4 s VAL 344 Cb 0.30 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 3ab4 s VAL 344 CO 0.04 -0.20 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.67 3ab4 s GLY 345 N -1.94 0.73 -0.18 2.32 0.00 0.69 -4.52 107.32 104.41 3ab4 s GLY 345 Ca 0.63 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 3ab4 s GLY 345 CO 0.19 -0.67 -0.02 1.25 0.00 0.00 0.00 173.10 173.85 3ab4 s LYS 346 N -0.82 3.63 -0.06 2.90 2.20 0.13 -1.11 119.74 126.61 3ab4 s LYS 346 Ca 0.03 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 3ab4 s LYS 346 Cb -0.07 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3ab4 s LYS 346 CO 0.01 0.13 -0.17 0.54 -0.36 0.00 0.00 175.35 175.49 3ab4 s VAL 347 N 0.68 1.46 0.08 4.02 0.11 -0.72 -0.44 120.40 125.59 3ab4 s VAL 347 Ca -0.01 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.36 3ab4 s VAL 347 Cb -0.14 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 3ab4 s VAL 347 CO 0.02 0.42 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.68 3ab4 s SER 348 N 0.26 1.31 -0.15 3.54 0.01 -0.37 -1.15 113.70 117.16 3ab4 s SER 348 Ca -0.09 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3ab4 s SER 348 Cb -0.14 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3ab4 s SER 348 CO 0.04 -0.26 -0.20 -0.22 0.41 0.00 0.00 173.24 173.01 3ab4 s LEU 349 N -2.30 2.01 0.06 2.44 2.96 0.34 -1.77 118.68 122.42 3ab4 s LEU 349 Ca 0.03 -0.58 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 3ab4 s LEU 349 Cb -0.04 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3ab4 s LEU 349 CO -0.00 0.03 -0.25 0.68 -1.32 0.00 0.00 176.35 175.49 3ab4 s VAL 350 N 1.04 2.30 0.00 1.68 -7.23 -0.59 -1.08 120.40 116.51 3ab4 s VAL 350 Ca -0.03 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3ab4 s VAL 350 Cb -0.14 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.86 3ab4 s VAL 350 CO -0.06 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 3ab4 n GLY 351 N 1.58 1.17 0.42 2.32 0.00 -0.05 -2.07 105.19 108.56 3ab4 n GLY 351 Ca -0.17 0.44 0.23 0.00 0.00 0.00 0.00 46.02 46.52 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 2.36 0.00 4.61 0.00 -1.78 -1.38 119.26 123.06 3ab4 h ALA 352 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ab4 h ALA 352 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 352 CO 0.00 -0.84 0.00 0.78 0.00 0.00 0.00 179.25 179.19 3ab4 h GLY 353 N 0.00 0.00 1.56 0.00 0.00 -1.26 -2.96 103.07 100.41 3ab4 h GLY 353 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3ab4 h GLY 353 CO -0.00 0.00 -0.22 1.15 0.00 0.00 0.00 176.54 177.46 3ab4 n MET 354 N -2.85 0.01 -0.17 4.80 3.85 -0.52 -3.86 117.12 118.38 3ab4 n MET 354 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 57.70 56.61 3ab4 n MET 354 Cb 0.16 -1.51 0.01 0.00 -1.05 0.00 0.00 33.22 30.83 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 0.73 -0.14 3.17 3.64 -1.66 -3.26 116.57 119.04 3ab4 h LYS 355 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3ab4 h LYS 355 Cb 0.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3ab4 h LYS 355 CO 0.00 0.66 0.00 0.43 -2.27 0.00 0.00 179.45 178.27 3ab4 n SER 356 N -4.56 2.91 -4.07 4.20 7.64 -1.26 -4.96 113.62 113.52 3ab4 n SER 356 Ca 0.01 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.85 3ab4 n SER 356 Cb 0.16 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 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 -2.27 3.38 -0.65 1.43 3.76 -1.23 -5.01 115.29 114.70 3ab4 s HIS 357 Ca 0.29 -2.43 0.00 0.00 -0.15 0.00 0.00 55.06 52.77 3ab4 s HIS 357 Cb 0.23 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.73 3ab4 s HIS 357 CO 0.06 -0.89 0.79 -2.30 -0.85 0.00 0.00 174.74 171.55 3ab4 n PRO 358 N 4.42 0.00 0.05 8.40 -0.02 -1.26 -3.65 135.00 142.94 3ab4 n PRO 358 Ca -0.10 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 3ab4 n PRO 358 Cb 0.42 -1.68 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 3ab4 n PRO 358 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ab4 h GLY 359 N 0.00 0.00 1.73 -1.23 0.00 -1.95 -3.44 103.07 98.18 3ab4 h GLY 359 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3ab4 h GLY 359 CO 0.00 0.00 -0.69 -0.39 0.00 0.00 0.00 176.54 175.46 3ab4 h VAL 360 N 0.00 1.41 -0.09 4.60 -1.51 -1.92 -2.97 116.25 115.76 3ab4 h VAL 360 Ca -0.13 -2.17 -0.01 0.00 -1.23 0.00 0.00 66.70 63.17 3ab4 h VAL 360 Cb 1.64 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 32.93 3ab4 h VAL 360 CO 0.07 0.64 0.04 0.74 -1.23 0.00 0.00 177.57 177.83 3ab4 h THR 361 N 0.18 1.14 -0.76 7.19 2.02 -1.89 0.20 112.91 120.99 3ab4 h THR 361 Ca -0.02 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3ab4 h THR 361 Cb 1.24 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 3ab4 h THR 361 CO 0.11 0.12 0.50 0.00 0.37 0.00 0.00 175.52 176.63 3ab4 h ALA 362 N 0.88 1.47 -0.45 6.16 0.00 -1.87 0.29 119.26 125.75 3ab4 h ALA 362 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ab4 h ALA 362 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ab4 h ALA 362 CO -0.00 0.48 -0.04 0.93 0.00 0.00 0.00 179.25 180.62 3ab4 h GLU 363 N 1.02 0.82 0.39 0.00 5.08 -1.34 -0.16 114.58 120.38 3ab4 h GLU 363 Ca 0.28 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ab4 h GLU 363 Cb -0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3ab4 h GLU 363 CO -0.06 0.90 -0.51 0.35 -1.00 0.00 0.00 179.01 178.68 3ab4 h PHE 364 N 0.66 -1.44 -0.27 4.33 3.57 -0.17 -1.17 116.94 122.44 3ab4 h PHE 364 Ca 0.12 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3ab4 h PHE 364 Cb 0.56 0.58 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 3ab4 h PHE 364 CO 0.04 -0.65 -0.38 0.52 -2.23 0.00 0.00 178.31 175.61 3ab4 h MET 365 N -0.93 -0.36 -0.35 1.11 2.86 -0.98 -2.05 114.93 114.23 3ab4 h MET 365 Ca -0.05 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3ab4 h MET 365 Cb 0.84 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3ab4 h MET 365 CO -0.13 -0.24 0.24 0.93 1.06 0.00 0.00 176.91 178.77 3ab4 h GLU 366 N -0.37 0.27 -0.15 1.72 5.08 -0.94 -1.07 114.58 119.11 3ab4 h GLU 366 Ca 0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3ab4 h GLU 366 Cb 0.58 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3ab4 h GLU 366 CO -0.47 0.18 -0.01 0.00 -1.00 0.00 0.00 179.01 177.71 3ab4 h ALA 367 N 1.81 0.21 -0.25 3.43 0.00 -0.49 -2.07 119.26 121.90 3ab4 h ALA 367 Ca 0.15 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3ab4 h ALA 367 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ab4 h ALA 367 CO -0.03 -0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 178.80 3ab4 h LEU 368 N 0.01 0.49 -0.57 0.00 4.07 -1.20 -3.11 115.31 114.99 3ab4 h LEU 368 Ca 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3ab4 h LEU 368 Cb 0.40 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 3ab4 h LEU 368 CO 0.01 0.75 0.31 -0.09 -1.08 0.00 0.00 178.44 178.35 3ab4 h ARG 369 N 0.43 0.80 0.00 1.13 2.43 -1.06 -1.15 114.38 116.95 3ab4 h ARG 369 Ca 0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ab4 h ARG 369 Cb 0.70 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3ab4 h ARG 369 CO 0.05 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 178.87 3ab4 n ASP 370 N -4.60 0.30 -1.02 -3.80 8.00 -0.79 -0.56 116.55 114.08 3ab4 n ASP 370 Ca 0.03 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.16 3ab4 n ASP 370 Cb 0.09 -0.62 0.27 0.00 -0.02 0.00 0.00 41.12 40.83 3ab4 n ASP 370 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ab4 n VAL 371 N -1.80 2.18 -3.43 2.53 0.31 -1.10 -5.01 118.33 112.01 3ab4 n VAL 371 Ca 0.05 -1.69 -0.25 0.00 -0.01 0.00 0.00 64.34 62.44 3ab4 n VAL 371 Cb 0.29 -0.15 0.04 0.00 -0.91 0.00 0.00 33.84 33.10 3ab4 n VAL 371 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3ab4 n ASN 372 N -0.18 -5.54 -4.68 4.52 5.15 0.27 -4.99 115.26 109.81 3ab4 n ASN 372 Ca 0.21 -0.48 -0.35 0.00 -0.60 0.00 0.00 54.58 53.36 3ab4 n ASN 372 Cb 0.88 -4.44 -0.09 0.00 -0.53 0.00 0.00 39.78 35.59 3ab4 n ASN 372 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ab4 s VAL 373 N -3.20 4.36 -0.26 3.44 0.11 -0.51 -5.03 120.40 119.31 3ab4 s VAL 373 Ca 0.48 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.17 3ab4 s VAL 373 Cb -0.23 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 3ab4 s VAL 373 CO 0.59 0.60 0.29 0.21 -3.33 0.00 0.00 175.10 173.45 3ab4 s ASN 374 N -0.78 6.19 -0.28 3.54 2.47 -1.26 -4.38 114.94 120.44 3ab4 s ASN 374 Ca 0.12 0.21 -0.29 0.00 0.42 0.00 0.00 52.86 53.32 3ab4 s ASN 374 Cb -0.12 -2.17 -0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3ab4 s ASN 374 CO 0.02 -0.09 1.32 -0.63 -3.72 0.00 0.00 177.10 174.01 3ab4 s ILE 375 N 1.70 4.12 -0.16 -5.21 1.01 -1.26 -4.71 121.20 116.69 3ab4 s ILE 375 Ca 0.12 1.27 -0.00 0.00 0.00 0.00 0.00 60.65 62.03 3ab4 s ILE 375 Cb -0.15 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 3ab4 s ILE 375 CO 0.09 -0.44 0.21 -0.62 0.00 0.00 0.00 174.94 174.18 3ab4 n GLU 376 N 7.29 0.71 -3.86 2.79 1.02 -0.51 -4.98 120.64 123.10 3ab4 n GLU 376 Ca 0.15 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 3ab4 n GLU 376 Cb 0.46 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 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 -6.69 1.54 -0.10 -4.62 0.20 -1.13 -4.96 118.68 102.91 3ab4 s LEU 377 Ca -0.23 -0.09 -0.00 0.00 0.69 0.00 0.00 54.13 54.49 3ab4 s LEU 377 Cb 0.07 0.63 0.02 0.00 -0.43 0.00 0.00 46.19 46.49 3ab4 s LEU 377 CO 0.73 -0.29 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.80 3ab4 s ILE 378 N -1.04 0.91 0.04 6.68 1.01 -1.26 -1.35 121.20 126.19 3ab4 s ILE 378 Ca -0.11 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3ab4 s ILE 378 Cb -0.06 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3ab4 s ILE 378 CO 0.01 0.35 -0.24 -0.55 0.00 0.00 0.00 174.94 174.51 3ab4 s SER 379 N 1.70 3.38 0.11 3.58 0.15 0.13 -5.01 113.70 117.73 3ab4 s SER 379 Ca 0.04 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 3ab4 s SER 379 Cb -0.13 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 3ab4 s SER 379 CO -0.07 0.26 0.11 0.42 1.20 0.00 0.00 173.24 175.15 3ab4 s THR 380 N -0.85 0.14 0.41 6.45 -4.23 -1.26 -0.64 115.64 115.66 3ab4 s THR 380 Ca 0.13 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 3ab4 s THR 380 Cb -0.10 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3ab4 s THR 380 CO 0.03 -0.62 0.17 -0.94 -0.54 0.00 0.00 174.62 172.72 3ab4 s SER 381 N -2.96 2.69 0.51 3.99 1.04 -0.22 -4.98 113.70 113.77 3ab4 s SER 381 Ca 0.14 -1.75 0.29 0.00 0.48 0.00 0.00 55.95 55.11 3ab4 s SER 381 Cb 0.06 0.61 1.41 0.00 0.10 0.00 0.00 66.02 68.20 3ab4 s SER 381 CO -0.05 -1.01 1.87 -0.08 0.98 0.00 0.00 173.24 174.95 3ab4 h GLU 382 N 1.79 0.08 0.00 4.02 4.81 -2.01 -2.80 114.58 120.47 3ab4 h GLU 382 Ca -0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3ab4 h GLU 382 Cb 1.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3ab4 h GLU 382 CO 0.50 0.05 0.00 1.51 -0.73 0.00 0.00 179.01 180.34 3ab4 n ILE 383 N -4.31 0.54 -3.79 2.32 0.13 -1.26 -4.05 119.36 108.94 3ab4 n ILE 383 Ca 0.20 -0.64 -0.13 0.00 -1.10 0.00 0.00 62.75 61.08 3ab4 n ILE 383 Cb 0.96 0.80 -0.11 0.00 -0.84 0.00 0.00 39.64 40.44 3ab4 n ILE 383 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 3ab4 s ARG 384 N -0.54 0.35 -0.09 9.51 3.52 -1.06 -0.87 118.95 129.77 3ab4 s ARG 384 Ca 0.00 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.90 3ab4 s ARG 384 Cb 0.00 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 3ab4 s ARG 384 CO 0.00 -0.05 -0.16 0.42 -0.81 0.00 0.00 175.30 174.69 3ab4 s ILE 385 N -0.06 2.79 -0.04 4.11 1.01 -0.24 -1.06 121.20 127.71 3ab4 s ILE 385 Ca -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3ab4 s ILE 385 Cb -0.02 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3ab4 s ILE 385 CO 0.01 0.55 -0.05 -0.44 0.00 0.00 0.00 174.94 175.01 3ab4 s SER 386 N -0.00 0.93 0.07 3.58 0.01 0.19 -0.51 113.70 117.97 3ab4 s SER 386 Ca -0.05 -0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.15 3ab4 s SER 386 Cb -0.14 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 3ab4 s SER 386 CO 0.04 -0.02 -0.21 0.54 0.41 0.00 0.00 173.24 174.01 3ab4 s VAL 387 N 0.64 1.70 -0.20 3.43 0.11 -0.30 0.20 120.40 125.99 3ab4 s VAL 387 Ca -0.09 -1.35 -0.09 0.00 -2.93 0.00 0.00 61.98 57.52 3ab4 s VAL 387 Cb -0.12 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 3ab4 s VAL 387 CO 0.00 0.10 0.11 -0.76 -3.33 0.00 0.00 175.10 171.23 3ab4 s LEU 388 N -1.49 4.12 0.00 2.54 1.43 -0.46 -1.76 118.68 123.06 3ab4 s LEU 388 Ca 0.07 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3ab4 s LEU 388 Cb -0.09 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3ab4 s LEU 388 CO 0.03 0.18 0.11 2.30 0.23 0.00 0.00 176.35 179.20 3ab4 n ILE 389 N 3.51 0.00 -2.15 -0.59 -0.00 -0.27 -1.42 119.36 118.44 3ab4 n ILE 389 Ca -0.16 -0.96 -0.40 0.00 -0.00 0.00 0.00 62.75 61.23 3ab4 n ILE 389 Cb 0.52 0.47 -0.02 0.00 -0.00 0.00 0.00 39.64 40.61 3ab4 n ILE 389 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 3ab4 s ARG 390 N -2.54 4.18 0.38 6.28 1.81 -1.26 -0.23 118.95 127.58 3ab4 s ARG 390 Ca 0.15 2.10 0.09 0.00 -1.72 0.00 0.00 55.73 56.34 3ab4 s ARG 390 Cb 0.01 -2.90 0.84 0.00 -0.45 0.00 0.00 34.95 32.45 3ab4 s ARG 390 CO 0.11 -0.29 1.96 1.05 -0.68 0.00 0.00 175.30 177.45 3ab4 h GLU 391 N 3.03 0.62 0.00 3.54 4.11 -1.21 -2.09 114.58 122.57 3ab4 h GLU 391 Ca -0.49 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 3ab4 h GLU 391 Cb 1.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3ab4 h GLU 391 CO 0.64 0.41 -0.06 -0.44 0.07 0.00 0.00 179.01 179.63 3ab4 h ASP 392 N 0.64 0.00 0.02 3.06 3.32 -1.91 -1.87 116.42 119.67 3ab4 h ASP 392 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3ab4 h ASP 392 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ab4 h ASP 392 CO -0.10 0.06 -0.05 0.47 -1.72 0.00 0.00 179.24 177.89 3ab4 n ASP 393 N -3.36 1.66 -0.04 6.45 8.00 -0.79 -4.55 116.55 123.93 3ab4 n ASP 393 Ca -0.02 -1.48 -0.13 0.00 0.71 0.00 0.00 54.79 53.87 3ab4 n ASP 393 Cb 0.21 0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 394 N 2.52 0.23 -0.34 0.64 5.85 -1.34 -0.17 115.31 122.71 3ab4 h LEU 394 Ca 0.00 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.27 3ab4 h LEU 394 Cb 0.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3ab4 h LEU 394 CO 0.00 0.65 0.19 0.44 -0.34 0.00 0.00 178.44 179.38 3ab4 h ASP 395 N -0.19 0.30 -0.73 1.25 3.45 -1.80 0.26 116.42 118.96 3ab4 h ASP 395 Ca 0.02 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 3ab4 h ASP 395 Cb 0.58 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 3ab4 h ASP 395 CO 0.02 0.22 0.36 0.00 -1.57 0.00 0.00 179.24 178.27 3ab4 h ALA 396 N 1.16 1.23 -0.13 3.45 0.00 -1.81 -2.14 119.26 121.01 3ab4 h ALA 396 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ab4 h ALA 396 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ab4 h ALA 396 CO -0.07 0.59 -0.06 0.00 0.00 0.00 0.00 179.25 179.71 3ab4 h ALA 397 N 1.34 0.19 -0.40 0.00 0.00 -0.62 -1.83 119.26 117.94 3ab4 h ALA 397 Ca 0.26 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ab4 h ALA 397 Cb 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3ab4 h ALA 397 CO -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 179.25 179.27 3ab4 h ALA 398 N 0.66 0.43 -0.22 0.00 0.00 -0.83 0.04 119.26 119.34 3ab4 h ALA 398 Ca 0.03 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ab4 h ALA 398 Cb 0.52 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3ab4 h ALA 398 CO 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 179.25 178.80 3ab4 h ARG 399 N 0.21 -0.14 0.51 0.00 -0.00 -1.36 -0.41 114.38 113.20 3ab4 h ARG 399 Ca 0.19 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.66 3ab4 h ARG 399 Cb 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 3ab4 h ARG 399 CO -0.24 -0.09 -0.28 0.00 0.00 0.00 0.00 179.97 179.35 3ab4 h ALA 400 N 1.00 -0.74 0.03 0.04 0.00 -0.43 0.33 119.26 119.48 3ab4 h ALA 400 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 400 Cb 0.33 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3ab4 h ALA 400 CO -0.31 -0.93 -0.27 -0.07 0.00 0.00 0.00 179.25 177.67 3ab4 h LEU 401 N -0.74 -0.80 -1.25 0.00 -0.00 -1.02 0.30 115.31 111.80 3ab4 h LEU 401 Ca -0.06 0.10 0.20 0.00 -0.00 0.00 0.00 57.88 58.12 3ab4 h LEU 401 Cb 0.59 0.32 -0.09 0.00 -0.00 0.00 0.00 40.66 41.49 3ab4 h LEU 401 CO 0.08 -0.34 0.61 -0.74 -0.00 0.00 0.00 178.44 178.05 3ab4 h HIS 402 N -0.43 0.82 0.00 1.13 2.76 -0.79 -1.18 115.15 117.45 3ab4 h HIS 402 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3ab4 h HIS 402 Cb 0.50 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3ab4 h HIS 402 CO -0.29 0.20 -0.03 1.49 -1.30 0.00 0.00 177.93 178.00 3ab4 h GLU 403 N 0.60 0.02 0.06 5.26 4.81 0.50 -3.19 114.58 122.63 3ab4 h GLU 403 Ca 0.53 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.75 3ab4 h GLU 403 Cb 1.03 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 3ab4 h GLU 403 CO -0.28 0.84 -0.47 0.37 -0.73 0.00 0.00 179.01 178.74 3ab4 h GLN 404 N -0.80 -0.61 -6.38 1.92 5.75 0.23 -3.38 115.11 111.84 3ab4 h GLN 404 Ca -0.00 0.04 -0.54 0.00 -0.15 0.00 0.00 58.65 58.00 3ab4 h GLN 404 Cb 0.85 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 3ab4 h GLN 404 CO 0.01 -0.41 0.32 -0.06 -2.65 0.00 0.00 178.83 176.04 3ab4 s PHE 405 N -5.43 3.68 -0.28 3.99 0.08 -0.51 -4.89 117.98 114.62 3ab4 s PHE 405 Ca -0.14 1.64 -0.05 0.00 0.12 0.00 0.00 56.93 58.50 3ab4 s PHE 405 Cb 0.06 -3.05 -0.16 0.00 -0.57 0.00 0.00 43.02 39.29 3ab4 s PHE 405 CO 0.54 0.05 2.62 1.04 -0.10 0.00 0.00 175.22 179.37 3ab4 n GLN 406 N 3.65 1.70 -2.51 0.44 3.00 -1.26 -4.65 117.38 117.75 3ab4 n GLN 406 Ca 0.04 -0.94 -0.36 0.00 -0.01 0.00 0.00 57.00 55.73 3ab4 n GLN 406 Cb 0.51 -2.02 -0.03 0.00 0.00 0.00 0.00 30.24 28.69 3ab4 n GLN 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ab4 s LEU 407 N 0.03 4.01 -0.13 1.08 1.02 -1.20 -3.56 118.68 119.93 3ab4 s LEU 407 Ca 0.48 2.03 -0.00 0.00 0.02 0.00 0.00 54.13 56.65 3ab4 s LEU 407 Cb 0.20 -4.33 0.00 0.00 0.02 0.00 0.00 46.19 42.08 3ab4 s LEU 407 CO -0.01 -0.65 0.06 0.61 0.02 0.00 0.00 176.35 176.38 3ab4 n GLY 408 N 0.14 0.63 3.35 -3.19 0.00 -1.26 -4.76 105.19 100.11 3ab4 n GLY 408 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3ab4 n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93