#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4v s ARG 2 N 0.00 3.73 0.19 0.03 3.52 -1.09 -5.10 118.95 120.22 3n4v s ARG 2 Ca 0.00 0.18 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 3n4v s ARG 2 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3n4v s ARG 2 CO 0.00 0.69 -0.15 -0.08 -0.81 0.00 0.00 175.30 174.95 3n4v s THR 3 N -1.13 1.71 -0.01 4.11 -1.32 -1.26 -4.70 115.64 113.04 3n4v s THR 3 Ca 0.23 -2.12 0.02 0.00 -1.21 0.00 0.00 61.69 58.62 3n4v s THR 3 Cb -0.15 -1.96 -0.00 0.00 -1.51 0.00 0.00 72.50 68.88 3n4v s THR 3 CO 0.12 -0.53 -0.08 -0.31 -2.21 0.00 0.00 174.62 171.61 3n4v s TYR 4 N -2.74 0.71 0.31 9.09 2.02 -1.26 -5.14 117.35 120.34 3n4v s TYR 4 Ca 0.20 -0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3n4v s TYR 4 Cb -0.02 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 3n4v s TYR 4 CO 0.06 -0.02 0.54 0.95 -1.57 0.00 0.00 175.55 175.51 3n4v s THR 5 N -0.14 5.08 0.41 -0.71 -4.23 -1.26 -4.99 115.64 109.80 3n4v s THR 5 Ca 0.02 -0.21 0.19 0.00 -1.18 0.00 0.00 61.69 60.52 3n4v s THR 5 Cb -0.03 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.41 3n4v s THR 5 CO -0.00 -0.42 1.81 -0.26 -0.54 0.00 0.00 174.62 175.20 3n4v h PHE 6 N 1.28 0.58 -0.01 3.99 0.04 -2.01 -1.20 116.94 119.61 3n4v h PHE 6 Ca -0.48 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 3n4v h PHE 6 Cb 1.20 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 3n4v h PHE 6 CO 0.55 0.10 -0.00 -0.44 -0.60 0.00 0.00 178.31 177.91 3n4v h ASP 7 N 0.39 0.03 -0.71 2.17 5.19 -1.99 -1.21 116.42 120.28 3n4v h ASP 7 Ca 0.54 -0.32 0.14 0.00 -0.62 0.00 0.00 57.03 56.77 3n4v h ASP 7 Cb 1.40 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 3n4v h ASP 7 CO -0.23 0.34 0.48 1.56 -3.12 0.00 0.00 179.24 178.26 3n4v h GLN 8 N -0.28 0.40 -0.04 3.56 4.20 -1.65 0.25 115.11 121.55 3n4v h GLN 8 Ca 0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3n4v h GLN 8 Cb 0.32 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3n4v h GLN 8 CO 0.00 0.26 -0.21 0.28 -0.67 0.00 0.00 178.83 178.49 3n4v h VAL 9 N 0.41 1.47 -0.67 -0.54 2.07 -1.09 -1.89 116.25 116.01 3n4v h VAL 9 Ca 0.35 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 3n4v h VAL 9 Cb 0.78 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3n4v h VAL 9 CO -0.11 0.47 0.17 -0.33 0.02 0.00 0.00 177.57 177.80 3n4v h GLU 10 N -0.36 1.06 0.08 1.57 5.08 -0.65 -2.46 114.58 118.91 3n4v h GLU 10 Ca -0.02 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3n4v h GLU 10 Cb 0.88 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3n4v h GLU 10 CO 0.04 0.93 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.72 3n4v h LYS 11 N 1.01 -0.11 -0.89 2.33 3.11 -0.55 0.18 116.57 121.64 3n4v h LYS 11 Ca 0.21 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 58.19 3n4v h LYS 11 Cb 0.34 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.53 3n4v h LYS 11 CO -0.00 0.07 0.58 0.00 -2.81 0.00 0.00 179.45 177.28 3n4v h ALA 12 N 0.63 1.74 0.15 5.00 0.00 -1.18 -0.75 119.26 124.86 3n4v h ALA 12 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3n4v h ALA 12 Cb 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3n4v h ALA 12 CO 0.02 0.03 -1.28 0.82 0.00 0.00 0.00 179.25 178.84 3n4v h ILE 13 N 0.77 1.39 -0.64 0.00 2.04 -1.30 -3.30 117.51 116.47 3n4v h ILE 13 Ca 0.44 -2.79 -0.06 0.00 1.00 0.00 0.00 64.86 63.44 3n4v h ILE 13 Cb 0.60 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 3n4v h ILE 13 CO -0.20 0.83 0.14 -0.08 0.00 0.00 0.00 178.15 178.84 3n4v h GLU 14 N 0.15 1.02 0.00 2.37 4.22 0.55 0.35 114.58 123.24 3n4v h GLU 14 Ca -0.17 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.03 3n4v h GLU 14 Cb 1.98 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.09 3n4v h GLU 14 CO 0.23 0.91 0.00 0.00 -2.18 0.00 0.00 179.01 177.97 3n4v n GLN 15 N -4.24 0.66 -0.06 1.92 10.64 -0.40 -2.37 117.38 123.53 3n4v n GLN 15 Ca 0.05 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.15 3n4v n GLN 15 Cb 0.26 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.06 3n4v n GLN 15 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3n4v n LEU 16 N -1.17 0.83 -3.75 2.61 4.32 -0.92 -4.85 117.00 114.07 3n4v n LEU 16 Ca 0.18 -0.02 -0.28 0.00 -0.02 0.00 0.00 56.01 55.87 3n4v n LEU 16 Cb 0.19 0.06 -0.12 0.00 -1.62 0.00 0.00 43.42 41.92 3n4v n LEU 16 CO 0.21 0.40 -0.16 -0.31 -1.22 0.00 0.00 177.39 176.30 3n4v s TYR 17 N -2.27 2.62 0.39 -1.77 2.02 0.07 -4.98 117.35 113.43 3n4v s TYR 17 Ca -0.09 -2.89 0.10 0.00 -0.37 0.00 0.00 57.07 53.82 3n4v s TYR 17 Cb 0.04 -2.14 0.79 0.00 -0.40 0.00 0.00 41.96 40.25 3n4v s TYR 17 CO 0.41 -0.68 1.91 -1.35 -1.57 0.00 0.00 175.55 174.26 3n4v h PRO 18 N 5.87 0.19 -0.03 -1.71 0.11 -1.70 -2.81 132.00 131.93 3n4v h PRO 18 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3n4v h PRO 18 Cb 0.84 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3n4v h PRO 18 CO 0.58 0.36 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 3n4v n ASP 19 N -4.26 1.04 -4.38 -2.05 8.00 -1.26 -4.73 116.55 108.91 3n4v n ASP 19 Ca -0.01 -1.39 -0.45 0.00 0.71 0.00 0.00 54.79 53.65 3n4v n ASP 19 Cb 0.28 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 3n4v n ASP 19 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n4v s PHE 20 N -1.97 3.18 -0.08 1.24 5.36 -1.06 -5.03 117.98 119.61 3n4v s PHE 20 Ca 0.39 -0.92 -0.30 0.00 -0.96 0.00 0.00 56.93 55.15 3n4v s PHE 20 Cb 0.20 -3.44 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 3n4v s PHE 20 CO 0.33 -0.93 1.15 0.99 -1.46 0.00 0.00 175.22 175.30 3n4v s THR 21 N 1.93 4.41 -0.32 0.12 2.01 -1.26 -4.92 115.64 117.62 3n4v s THR 21 Ca 0.07 1.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 3n4v s THR 21 Cb -0.24 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 3n4v s THR 21 CO 0.07 -0.02 0.35 -0.63 -0.69 0.00 0.00 174.62 173.70 3n4v s ILE 22 N 2.29 5.18 -0.24 1.82 1.01 -1.26 -4.94 121.20 125.07 3n4v s ILE 22 Ca 0.53 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.33 3n4v s ILE 22 Cb -0.22 -3.76 -0.17 0.00 0.01 0.00 0.00 42.46 38.31 3n4v s ILE 22 CO 0.20 0.01 -0.13 0.59 0.00 0.00 0.00 174.94 175.61 3n4v n ASN 23 N 5.34 1.99 -4.02 3.58 3.02 -1.26 -4.97 115.26 118.94 3n4v n ASN 23 Ca -0.09 0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 3n4v n ASN 23 Cb 0.50 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 3n4v n ASN 23 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3n4v s THR 24 N -2.51 0.54 -0.02 3.41 -4.23 -1.26 -4.99 115.64 106.57 3n4v s THR 24 Ca -0.33 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.55 3n4v s THR 24 Cb 0.10 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.43 3n4v s THR 24 CO 0.60 -0.06 0.07 -0.51 -0.54 0.00 0.00 174.62 174.18 3n4v s ILE 25 N -0.63 0.01 0.06 2.99 2.07 -1.26 -0.45 121.20 123.98 3n4v s ILE 25 Ca -0.02 -0.06 -0.26 0.00 -1.41 0.00 0.00 60.65 58.90 3n4v s ILE 25 Cb -0.05 -0.13 0.07 0.00 0.13 0.00 0.00 42.46 42.47 3n4v s ILE 25 CO 0.00 -0.03 0.61 -1.83 -1.91 0.00 0.00 174.94 171.78 3n4v s GLU 26 N -0.07 1.14 0.01 3.50 -1.05 -0.85 -5.01 118.70 116.37 3n4v s GLU 26 Ca -0.01 -0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.36 3n4v s GLU 26 Cb -0.01 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.17 3n4v s GLU 26 CO 0.00 -0.43 1.02 0.42 0.95 0.00 0.00 175.26 177.22 3n4v s ILE 27 N -2.50 4.71 -0.06 1.83 1.01 -1.26 -0.34 121.20 124.59 3n4v s ILE 27 Ca -0.05 1.95 0.19 0.00 0.00 0.00 0.00 60.65 62.74 3n4v s ILE 27 Cb -0.01 -4.25 -0.29 0.00 0.01 0.00 0.00 42.46 37.92 3n4v s ILE 27 CO -0.02 0.15 0.43 -0.24 0.00 0.00 0.00 174.94 175.26 3n4v n SER 28 N 3.91 0.65 0.00 3.58 2.88 0.06 -4.80 113.62 119.89 3n4v n SER 28 Ca 0.07 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3n4v n SER 28 Cb 0.50 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.80 3n4v n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n4v n GLY 29 N 1.42 3.09 2.86 0.46 0.00 -1.11 -4.97 105.19 106.94 3n4v n GLY 29 Ca -0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 3n4v n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n4v s GLU 30 N -2.13 0.03 0.00 1.61 2.12 -1.26 0.77 118.70 119.85 3n4v s GLU 30 Ca 0.00 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.58 3n4v s GLU 30 Cb 0.00 -0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.22 3n4v s GLU 30 CO 0.00 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 3n4v n GLY 31 N 4.02 6.68 0.09 -1.50 0.00 0.08 -5.01 105.19 109.55 3n4v n GLY 31 Ca -0.25 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3n4v n GLY 31 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3n4v h ASN 32 N 0.00 0.17 -0.00 1.61 -0.26 -2.03 -3.38 115.58 111.70 3n4v h ASN 32 Ca 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 3n4v h ASN 32 Cb 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3n4v h ASN 32 CO 0.00 1.09 -0.16 -0.90 -1.06 0.00 0.00 177.43 176.40 3n4v n ASP 33 N -3.48 0.35 -3.86 5.81 5.68 -1.26 -4.91 116.55 114.88 3n4v n ASP 33 Ca -0.03 -0.68 -0.10 0.00 -0.50 0.00 0.00 54.79 53.48 3n4v n ASP 33 Cb 0.92 0.86 -0.08 0.00 -1.14 0.00 0.00 41.12 41.68 3n4v n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n4v s ILE 35 N -2.61 4.35 -0.07 0.00 1.01 -0.56 -0.74 121.20 122.57 3n4v s ILE 35 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3n4v s ILE 35 Cb -0.01 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3n4v s ILE 35 CO -0.04 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.38 3n4v s ALA 36 N -0.21 3.03 -0.10 9.38 0.00 0.23 -1.51 121.76 132.59 3n4v s ALA 36 Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3n4v s ALA 36 Cb -0.12 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3n4v s ALA 36 CO 0.02 0.57 -0.21 0.71 0.00 0.00 0.00 175.76 176.85 3n4v s TYR 37 N -0.79 2.28 -0.27 0.00 2.02 0.19 -0.76 117.35 120.02 3n4v s TYR 37 Ca 0.12 -0.95 -0.23 0.00 -0.37 0.00 0.00 57.07 55.65 3n4v s TYR 37 Cb -0.11 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3n4v s TYR 37 CO 0.02 -0.40 0.76 -2.00 -1.57 0.00 0.00 175.55 172.35 3n4v s GLU 38 N 0.48 4.08 -0.09 -0.62 2.12 0.54 -1.18 118.70 124.03 3n4v s GLU 38 Ca -0.16 0.70 0.03 0.00 0.36 0.00 0.00 54.97 55.90 3n4v s GLU 38 Cb -0.17 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 3n4v s GLU 38 CO 0.06 -0.54 -0.19 0.42 -0.54 0.00 0.00 175.26 174.47 3n4v s ILE 39 N 2.78 2.54 -1.29 -3.70 1.01 0.41 -2.00 121.20 120.95 3n4v s ILE 39 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3n4v s ILE 39 Cb -0.15 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3n4v s ILE 39 CO 0.09 0.55 0.00 0.59 0.00 0.00 0.00 174.94 176.18 3n4v n ASN 40 N 3.23 -3.89 0.00 3.58 4.13 0.40 -1.63 115.26 121.08 3n4v n ASN 40 Ca -0.18 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.33 3n4v n ASN 40 Cb 0.53 -3.44 0.00 0.00 -1.54 0.00 0.00 39.78 35.33 3n4v n ASN 40 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3n4v n ARG 41 N -2.38 -0.88 -0.01 3.52 5.12 -1.26 -4.64 116.66 116.13 3n4v n ARG 41 Ca -0.15 0.19 0.02 0.00 -1.93 0.00 0.00 57.85 55.98 3n4v n ARG 41 Cb 0.54 -4.29 -0.05 0.00 -1.16 0.00 0.00 32.46 27.50 3n4v n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3n4v n ASP 42 N -0.19 3.61 -4.07 0.55 8.00 -0.65 -4.93 116.55 118.87 3n4v n ASP 42 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3n4v n ASP 42 Cb 0.19 1.14 -0.12 0.00 -0.02 0.00 0.00 41.12 42.31 3n4v n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3n4v s PHE 43 N -2.36 0.76 -0.30 1.24 0.08 -0.76 -1.09 117.98 115.55 3n4v s PHE 43 Ca -0.02 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 3n4v s PHE 43 Cb 0.03 -0.46 0.05 0.00 -0.57 0.00 0.00 43.02 42.08 3n4v s PHE 43 CO 0.25 -0.04 0.01 0.42 -0.10 0.00 0.00 175.22 175.75 3n4v s ILE 44 N -1.13 2.98 -0.13 0.64 -1.09 0.46 -0.44 121.20 122.49 3n4v s ILE 44 Ca -0.06 -1.43 -0.19 0.00 -2.23 0.00 0.00 60.65 56.74 3n4v s ILE 44 Cb -0.09 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3n4v s ILE 44 CO 0.01 -0.13 0.53 -0.36 -1.23 0.00 0.00 174.94 173.75 3n4v s PHE 45 N 1.24 3.49 -0.04 3.97 0.08 -0.33 -1.11 117.98 125.28 3n4v s PHE 45 Ca -0.05 0.92 -0.03 0.00 0.12 0.00 0.00 56.93 57.90 3n4v s PHE 45 Cb -0.20 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 3n4v s PHE 45 CO -0.01 0.09 0.12 0.15 -0.10 0.00 0.00 175.22 175.46 3n4v s LYS 46 N 0.91 3.26 -0.08 0.44 1.02 -0.20 -0.64 119.74 124.46 3n4v s LYS 46 Ca 0.27 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.93 3n4v s LYS 46 Cb -0.16 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 3n4v s LYS 46 CO 0.11 0.69 -0.09 -0.06 -0.92 0.00 0.00 175.35 175.08 3n4v s PHE 47 N -1.17 1.38 0.37 3.18 0.08 -0.57 -2.01 117.98 119.25 3n4v s PHE 47 Ca 0.21 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.43 3n4v s PHE 47 Cb -0.12 -1.09 -0.09 0.00 -0.57 0.00 0.00 43.02 41.15 3n4v s PHE 47 CO 0.12 -0.37 1.14 -1.25 -0.10 0.00 0.00 175.22 174.77 3n4v s PRO 48 N 1.15 4.20 0.00 0.24 0.05 -1.26 -1.50 135.00 137.88 3n4v s PRO 48 Ca -0.06 1.80 0.23 0.00 0.05 0.00 0.00 61.00 63.02 3n4v s PRO 48 Cb -0.14 -2.77 0.01 0.00 0.05 0.00 0.00 34.50 31.65 3n4v s PRO 48 CO -0.02 -0.18 1.11 1.63 0.05 0.00 0.00 177.00 179.59 3n4v n LYS 49 N 0.29 1.35 -3.62 4.56 5.02 -0.21 -4.89 118.16 120.67 3n4v n LYS 49 Ca 0.03 -1.12 -0.01 0.00 -2.02 0.00 0.00 58.31 55.19 3n4v n LYS 49 Cb 0.46 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3n4v n LYS 49 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3n4v s HIS 50 N -2.42 -0.09 0.16 2.13 -3.43 -1.26 -2.68 115.29 107.70 3n4v s HIS 50 Ca 0.20 -0.02 -0.22 0.00 -0.80 0.00 0.00 55.06 54.22 3n4v s HIS 50 Cb 0.18 0.55 0.06 0.00 -1.43 0.00 0.00 32.58 31.94 3n4v s HIS 50 CO 0.54 -0.32 1.62 0.77 -2.00 0.00 0.00 174.74 175.35 3n4v h SER 51 N 2.00 -0.86 -0.99 7.38 0.02 -1.96 0.61 113.55 119.76 3n4v h SER 51 Ca -0.23 0.16 0.16 0.00 -0.84 0.00 0.00 61.79 61.04 3n4v h SER 51 Cb 1.20 0.42 -0.09 0.00 0.14 0.00 0.00 62.40 64.06 3n4v h SER 51 CO 0.27 -0.28 0.62 -0.09 -1.14 0.00 0.00 176.83 176.20 3n4v h ARG 52 N -0.22 0.80 -0.27 3.45 9.65 -1.97 0.77 114.38 126.59 3n4v h ARG 52 Ca 0.17 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.83 3n4v h ARG 52 Cb 0.49 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3n4v h ARG 52 CO -0.47 0.53 -0.51 0.78 2.80 0.00 0.00 179.97 183.09 3n4v h GLY 53 N 0.82 0.91 1.50 2.80 0.00 -1.24 -1.91 103.07 105.94 3n4v h GLY 53 Ca 0.53 -1.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 3n4v h GLY 53 CO -0.30 0.95 -0.16 0.23 0.00 0.00 0.00 176.54 177.26 3n4v h SER 54 N 0.60 0.59 -0.28 0.19 0.87 0.14 0.33 113.55 115.98 3n4v h SER 54 Ca 0.01 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 3n4v h SER 54 Cb 1.12 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3n4v h SER 54 CO 0.12 0.76 -0.08 0.74 -0.53 0.00 0.00 176.83 177.83 3n4v h THR 55 N 0.54 1.29 -0.60 2.23 2.02 -0.84 -1.59 112.91 115.96 3n4v h THR 55 Ca 0.09 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.18 3n4v h THR 55 Cb 0.58 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3n4v h THR 55 CO 0.04 0.36 0.39 0.78 0.37 0.00 0.00 175.52 177.46 3n4v h ASN 56 N 0.29 0.59 -0.35 4.18 4.21 -0.92 -0.76 115.58 122.82 3n4v h ASN 56 Ca 0.07 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 3n4v h ASN 56 Cb 0.57 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 3n4v h ASN 56 CO 0.03 0.41 -0.08 0.25 -1.29 0.00 0.00 177.43 176.75 3n4v h LEU 57 N 0.69 0.67 -0.34 1.61 5.85 -0.79 0.20 115.31 123.20 3n4v h LEU 57 Ca 0.24 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3n4v h LEU 57 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3n4v h LEU 57 CO -0.07 0.88 0.12 0.15 -0.34 0.00 0.00 178.44 179.19 3n4v h PHE 58 N 0.46 0.22 -0.28 1.25 3.57 -0.61 -1.25 116.94 120.30 3n4v h PHE 58 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3n4v h PHE 58 Cb 0.58 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3n4v h PHE 58 CO 0.05 0.10 0.08 -0.91 -2.23 0.00 0.00 178.31 175.40 3n4v h ASN 59 N 0.27 0.41 -0.82 0.41 -0.26 -1.06 -1.38 115.58 113.16 3n4v h ASN 59 Ca 0.15 -0.21 0.15 0.00 -0.56 0.00 0.00 56.30 55.83 3n4v h ASN 59 Cb 0.12 -0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 37.18 3n4v h ASN 59 CO -0.15 0.51 0.38 -0.08 -1.06 0.00 0.00 177.43 177.03 3n4v h GLU 60 N 0.29 0.52 0.18 0.81 4.81 -0.45 0.40 114.58 121.15 3n4v h GLU 60 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3n4v h GLU 60 Cb 0.25 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3n4v h GLU 60 CO -0.00 0.35 -0.09 0.28 -0.73 0.00 0.00 179.01 178.82 3n4v h VAL 61 N 0.54 0.89 -0.61 0.32 2.07 -1.01 0.94 116.25 119.39 3n4v h VAL 61 Ca 0.45 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.76 3n4v h VAL 61 Cb 0.67 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 3n4v h VAL 61 CO -0.39 0.07 0.20 -1.13 0.02 0.00 0.00 177.57 176.35 3n4v h ASN 62 N -0.39 0.17 -0.11 0.57 -0.73 -0.31 -0.58 115.58 114.19 3n4v h ASN 62 Ca -0.02 0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 3n4v h ASN 62 Cb 0.30 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.98 3n4v h ASN 62 CO 0.04 0.10 -0.27 0.40 -0.37 0.00 0.00 177.43 177.33 3n4v h ILE 63 N 0.37 1.39 -0.33 2.57 2.04 -0.09 -2.54 117.51 120.92 3n4v h ILE 63 Ca 0.31 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3n4v h ILE 63 Cb 0.41 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3n4v h ILE 63 CO -0.33 0.46 0.08 -0.07 0.00 0.00 0.00 178.15 178.28 3n4v h LEU 64 N -0.05 0.43 -0.55 1.44 3.38 -0.63 -1.80 115.31 117.53 3n4v h LEU 64 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3n4v h LEU 64 Cb 0.87 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3n4v h LEU 64 CO 0.06 0.44 -0.03 0.11 0.09 0.00 0.00 178.44 179.11 3n4v h LYS 65 N 0.47 1.00 -0.00 1.13 1.57 -0.98 -2.58 116.57 117.17 3n4v h LYS 65 Ca 0.11 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3n4v h LYS 65 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3n4v h LYS 65 CO -0.00 1.01 -0.45 2.89 -0.57 0.00 0.00 179.45 182.33 3n4v n ARG 66 N -4.22 0.04 -0.10 3.15 1.85 -0.75 -3.07 116.66 113.56 3n4v n ARG 66 Ca 0.02 -0.02 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 3n4v n ARG 66 Cb 0.35 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.37 3n4v n ARG 66 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 3n4v n ILE 67 N -1.46 0.53 -0.01 8.89 -5.35 -0.79 -4.90 119.36 116.26 3n4v n ILE 67 Ca 0.06 -0.76 -0.00 0.00 -0.27 0.00 0.00 62.75 61.77 3n4v n ILE 67 Cb 0.34 0.85 -0.00 0.00 -1.74 0.00 0.00 39.64 39.08 3n4v n ILE 67 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3n4v n HIS 68 N 0.60 -0.01 -1.36 4.28 -0.00 -0.97 -0.71 115.22 117.04 3n4v n HIS 68 Ca 0.10 0.03 -0.21 0.00 0.46 0.00 0.00 57.72 58.10 3n4v n HIS 68 Cb 0.37 -0.15 0.16 0.00 -0.12 0.00 0.00 29.99 30.24 3n4v n HIS 68 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3n4v n ASN 69 N -2.47 4.27 -0.47 0.26 3.02 -1.26 -4.60 115.26 114.01 3n4v n ASN 69 Ca 0.00 -3.70 0.08 0.00 -0.03 0.00 0.00 54.58 50.93 3n4v n ASN 69 Cb 0.01 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.41 3n4v n ASN 69 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n4v n LYS 70 N -1.07 1.58 -4.43 3.52 5.02 0.11 -4.99 118.16 117.90 3n4v n LYS 70 Ca 0.53 -1.04 -0.30 0.00 -2.02 0.00 0.00 58.31 55.48 3n4v n LYS 70 Cb 1.27 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 34.85 3n4v n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n4v s LEU 71 N -1.88 2.54 0.00 -0.35 1.43 -1.26 -4.90 118.68 114.26 3n4v s LEU 71 Ca 0.16 -0.59 0.23 0.00 -1.03 0.00 0.00 54.13 52.90 3n4v s LEU 71 Cb 0.14 -1.43 1.39 0.00 0.03 0.00 0.00 46.19 46.32 3n4v s LEU 71 CO 0.36 0.20 1.83 -0.81 0.23 0.00 0.00 176.35 178.15 3n4v n PRO 72 N 1.03 0.89 -4.13 1.29 -0.04 -1.26 -4.68 135.00 128.10 3n4v n PRO 72 Ca -0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 3n4v n PRO 72 Cb 0.53 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.47 3n4v n PRO 72 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n4v s LEU 73 N -1.81 2.31 0.50 1.53 1.43 -1.26 -4.98 118.68 116.39 3n4v s LEU 73 Ca 0.35 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 3n4v s LEU 73 Cb 0.16 -0.30 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 3n4v s LEU 73 CO 0.27 -0.19 1.34 -2.84 0.23 0.00 0.00 176.35 175.16 3n4v s PRO 74 N -1.99 3.43 0.27 1.29 0.02 -1.26 -4.81 135.00 131.95 3n4v s PRO 74 Ca -0.03 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.21 3n4v s PRO 74 Cb -0.08 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.97 3n4v s PRO 74 CO 0.01 -0.94 0.06 0.96 -0.33 0.00 0.00 177.00 176.76 3n4v s ILE 75 N -1.31 0.83 0.52 2.83 -0.00 -1.26 -1.66 121.20 121.14 3n4v s ILE 75 Ca 0.67 -2.01 -0.22 0.00 -0.00 0.00 0.00 60.65 59.09 3n4v s ILE 75 Cb -0.39 -2.61 -0.06 0.00 -0.00 0.00 0.00 42.46 39.41 3n4v s ILE 75 CO 0.48 -0.08 1.28 -2.84 -0.00 0.00 0.00 174.94 173.78 3n4v s PRO 76 N -3.96 3.34 -0.15 0.37 0.02 -1.26 -4.97 135.00 128.40 3n4v s PRO 76 Ca 0.35 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 3n4v s PRO 76 Cb 0.08 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 3n4v s PRO 76 CO 0.13 -0.97 -0.04 -2.00 -0.33 0.00 0.00 177.00 173.79 3n4v s GLU 77 N -2.86 3.58 -0.18 5.54 2.12 -1.26 -4.93 118.70 120.71 3n4v s GLU 77 Ca 0.69 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 3n4v s GLU 77 Cb -0.36 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 3n4v s GLU 77 CO 0.42 0.30 1.23 0.08 -0.54 0.00 0.00 175.26 176.76 3n4v s VAL 78 N 0.21 4.33 0.00 3.70 1.01 -1.26 -1.53 120.40 126.86 3n4v s VAL 78 Ca -0.02 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3n4v s VAL 78 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3n4v s VAL 78 CO 0.03 -0.16 0.00 0.55 0.00 0.00 0.00 175.10 175.52 3n4v n VAL 79 N 5.41 0.00 -4.27 2.92 3.14 -0.07 -4.99 118.33 120.48 3n4v n VAL 79 Ca 0.14 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.30 3n4v n VAL 79 Cb 0.45 -0.38 -0.12 0.00 -1.06 0.00 0.00 33.84 32.72 3n4v n VAL 79 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3n4v s PHE 80 N -2.00 1.53 -0.01 1.45 0.08 0.28 -4.93 117.98 114.37 3n4v s PHE 80 Ca 0.00 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 3n4v s PHE 80 Cb 0.00 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 3n4v s PHE 80 CO 0.00 0.13 0.03 0.95 -0.10 0.00 0.00 175.22 176.23 3n4v s THR 81 N -1.16 -0.03 0.00 0.64 -4.23 -1.26 -0.71 115.64 108.89 3n4v s THR 81 Ca 0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 3n4v s THR 81 Cb -0.10 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.68 3n4v s THR 81 CO 0.03 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3n4v n GLY 82 N 3.55 -0.09 3.08 3.99 0.00 0.38 -4.96 105.19 111.15 3n4v n GLY 82 Ca -0.19 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 3n4v n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3n4v s MET 83 N 0.00 0.30 0.53 1.61 1.75 -1.25 -4.88 119.30 117.36 3n4v s MET 83 Ca 0.00 0.09 -0.19 0.00 -1.25 0.00 0.00 55.69 54.34 3n4v s MET 83 Cb 0.00 0.14 -0.09 0.00 2.84 0.00 0.00 34.83 37.71 3n4v s MET 83 CO 0.00 -0.05 0.57 -2.30 -0.65 0.00 0.00 175.02 172.59 3n4v n PRO 84 N 2.56 0.59 -3.15 4.11 -0.02 -1.22 -4.19 135.00 133.67 3n4v n PRO 84 Ca -0.15 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 3n4v n PRO 84 Cb 0.58 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3n4v n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3n4v s SER 85 N -1.11 -1.53 0.00 2.55 0.15 0.23 -4.99 113.70 109.00 3n4v s SER 85 Ca 0.68 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.53 3n4v s SER 85 Cb -0.48 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 3n4v s SER 85 CO 0.55 -0.28 0.00 -0.62 1.20 0.00 0.00 173.24 174.09 3n4v n GLU 86 N 5.40 0.00 0.00 5.44 4.71 -1.26 -0.12 120.64 134.80 3n4v n GLU 86 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3n4v n GLU 86 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 3n4v n GLU 86 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 3n4v n THR 87 N 0.00 0.00 -3.37 2.62 5.66 -1.26 -4.96 114.28 112.98 3n4v n THR 87 Ca 0.00 -0.34 -0.38 0.00 -3.05 0.00 0.00 64.05 60.28 3n4v n THR 87 Cb 0.00 1.07 -0.08 0.00 -1.55 0.00 0.00 70.33 69.77 3n4v n THR 87 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3n4v s TYR 88 N -0.54 3.36 0.21 1.09 4.12 0.82 -4.70 117.35 121.72 3n4v s TYR 88 Ca 0.00 0.62 0.15 0.00 0.02 0.00 0.00 57.07 57.86 3n4v s TYR 88 Cb 0.00 -2.55 0.54 0.00 -1.52 0.00 0.00 41.96 38.43 3n4v s TYR 88 CO 0.00 -0.05 1.68 0.37 0.02 0.00 0.00 175.55 177.58 3n4v h GLN 89 N 7.46 0.00 0.00 -0.62 4.15 -1.84 0.68 115.11 124.94 3n4v h GLN 89 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3n4v h GLN 89 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3n4v h GLN 89 CO 0.71 0.48 0.00 -1.33 -1.93 0.00 0.00 178.83 176.76 3n4v n MET 90 N -3.66 0.00 0.00 1.69 2.81 -1.25 -3.76 117.12 112.96 3n4v n MET 90 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3n4v n MET 90 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.06 3n4v n MET 90 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3n4v n SER 91 N 0.00 0.00 -3.57 7.83 2.88 -1.26 -3.43 113.62 116.08 3n4v n SER 91 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3n4v n SER 91 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3n4v n SER 91 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3n4v s PHE 92 N 0.00 -0.00 -0.24 0.66 -0.12 -1.26 -4.18 117.98 112.84 3n4v s PHE 92 Ca 0.00 -0.28 -0.20 0.00 -0.05 0.00 0.00 56.93 56.40 3n4v s PHE 92 Cb 0.00 0.64 0.06 0.00 -0.63 0.00 0.00 43.02 43.09 3n4v s PHE 92 CO 0.00 -0.70 0.62 0.00 -0.05 0.00 0.00 175.22 175.09 3n4v s ALA 93 N -2.47 -1.56 -0.21 1.99 0.00 -0.85 -0.47 121.76 118.19 3n4v s ALA 93 Ca 0.19 1.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.97 3n4v s ALA 93 Cb -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3n4v s ALA 93 CO 0.02 -0.31 -0.02 0.20 0.00 0.00 0.00 175.76 175.66 3n4v s GLY 94 N 0.66 1.67 0.20 0.00 0.00 0.11 -1.03 107.32 108.93 3n4v s GLY 94 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.71 3n4v s GLY 94 CO -0.04 0.32 -0.01 -1.36 0.00 0.00 0.00 173.10 172.01 3n4v s PHE 95 N 1.22 2.77 0.31 1.90 0.08 -0.27 -0.56 117.98 123.43 3n4v s PHE 95 Ca 0.03 -0.18 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 3n4v s PHE 95 Cb -0.15 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 40.89 3n4v s PHE 95 CO 0.00 0.54 1.43 0.95 -0.10 0.00 0.00 175.22 178.05 3n4v s THR 96 N -1.90 2.46 -0.22 0.64 -4.23 -0.58 -0.41 115.64 111.39 3n4v s THR 96 Ca 0.28 0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 60.93 3n4v s THR 96 Cb -0.08 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.49 3n4v s THR 96 CO 0.18 0.09 1.04 -0.75 -0.54 0.00 0.00 174.62 174.64 3n4v s LYS 97 N -1.22 4.27 -0.08 3.99 2.20 -0.25 -4.45 119.74 124.19 3n4v s LYS 97 Ca 0.55 1.36 -0.28 0.00 -0.36 0.00 0.00 55.97 57.25 3n4v s LYS 97 Cb -0.43 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 3n4v s LYS 97 CO 0.51 -0.62 0.90 0.42 -0.36 0.00 0.00 175.35 176.20 3n4v s ILE 98 N 3.16 4.88 0.35 5.43 1.01 -1.26 -4.92 121.20 129.85 3n4v s ILE 98 Ca 0.44 1.84 -0.28 0.00 0.00 0.00 0.00 60.65 62.65 3n4v s ILE 98 Cb -0.15 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3n4v s ILE 98 CO 0.07 0.10 1.31 -0.54 0.00 0.00 0.00 174.94 175.88 3n4v s LYS 99 N 1.50 4.27 0.00 2.79 1.02 -1.26 -4.94 119.74 123.13 3n4v s LYS 99 Ca 0.45 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.65 3n4v s LYS 99 Cb -0.19 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3n4v s LYS 99 CO 0.20 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 3n4v n GLY 100 N 0.76 2.38 3.16 -3.33 0.00 -1.26 -4.78 105.19 102.13 3n4v n GLY 100 Ca 0.01 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 3n4v n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n4v s VAL 101 N -1.83 1.30 0.22 1.61 0.11 -0.97 -4.79 120.40 116.04 3n4v s VAL 101 Ca 0.00 -0.84 -0.32 0.00 -2.93 0.00 0.00 61.98 57.89 3n4v s VAL 101 Cb 0.00 -1.11 -0.13 0.00 -1.53 0.00 0.00 36.38 33.60 3n4v s VAL 101 CO 0.00 0.26 1.47 -2.65 -3.33 0.00 0.00 175.10 170.85 3n4v n PRO 102 N 2.38 2.12 -2.31 1.54 -0.02 -1.26 0.53 135.00 137.96 3n4v n PRO 102 Ca -0.16 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 3n4v n PRO 102 Cb 0.54 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3n4v n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3n4v n LEU 103 N 2.55 5.51 -4.74 2.45 0.00 0.87 -4.80 117.00 118.83 3n4v n LEU 103 Ca 0.13 -3.98 -0.38 0.00 0.00 0.00 0.00 56.01 51.78 3n4v n LEU 103 Cb 0.31 -1.72 0.04 0.00 0.00 0.00 0.00 43.42 42.05 3n4v n LEU 103 CO 0.63 0.42 0.96 0.41 0.00 0.00 0.00 177.39 179.81 3n4v n THR 104 N 6.02 3.87 -0.29 1.96 -1.04 -1.26 -4.69 114.28 118.84 3n4v n THR 104 Ca 0.50 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 62.04 3n4v n THR 104 Cb 0.44 -1.63 0.24 0.00 -1.82 0.00 0.00 70.33 67.56 3n4v n THR 104 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3n4v h PRO 105 N 1.35 1.00 -0.44 -2.82 0.11 -1.90 0.48 132.00 129.79 3n4v h PRO 105 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3n4v h PRO 105 Cb 1.31 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3n4v h PRO 105 CO 0.57 0.66 0.28 1.25 -0.21 0.00 0.00 178.00 180.54 3n4v h LEU 106 N 1.03 0.52 -0.65 2.35 5.85 -1.96 -0.34 115.31 122.11 3n4v h LEU 106 Ca 0.38 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 3n4v h LEU 106 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3n4v h LEU 106 CO -0.13 0.40 -0.12 0.25 -0.34 0.00 0.00 178.44 178.50 3n4v h LEU 107 N 0.59 0.93 0.21 2.25 5.85 -1.72 -2.27 115.31 121.15 3n4v h LEU 107 Ca 0.16 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3n4v h LEU 107 Cb -0.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.75 3n4v h LEU 107 CO -0.03 1.06 -0.10 0.25 -0.34 0.00 0.00 178.44 179.27 3n4v h LEU 108 N 0.83 -0.24 -2.31 2.25 5.85 0.25 -2.74 115.31 119.21 3n4v h LEU 108 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3n4v h LEU 108 Cb 0.66 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3n4v h LEU 108 CO 0.05 -0.17 -0.00 0.78 -0.34 0.00 0.00 178.44 178.75 3n4v h ASN 109 N -0.29 0.00 1.07 1.25 -0.26 -0.94 -1.26 115.58 115.15 3n4v h ASN 109 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3n4v h ASN 109 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3n4v h ASN 109 CO 0.05 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 177.01 3n4v n ASN 110 N -4.07 0.14 -4.81 5.81 3.02 -0.87 -4.86 115.26 109.62 3n4v n ASN 110 Ca -0.03 0.51 -0.33 0.00 -0.03 0.00 0.00 54.58 54.71 3n4v n ASN 110 Cb 0.09 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.69 3n4v n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n4v s LEU 111 N -3.27 3.61 0.68 3.41 1.02 -0.48 -5.04 118.68 118.61 3n4v s LEU 111 Ca 0.13 1.76 -0.17 0.00 0.02 0.00 0.00 54.13 55.88 3n4v s LEU 111 Cb 0.18 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.83 3n4v s LEU 111 CO 0.54 -0.91 0.85 -2.65 0.02 0.00 0.00 176.35 174.19 3n4v n PRO 112 N -1.68 0.56 -0.02 1.29 -0.02 -1.26 -4.80 135.00 129.07 3n4v n PRO 112 Ca 0.08 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3n4v n PRO 112 Cb 0.53 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3n4v n PRO 112 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3n4v h LYS 113 N -0.08 -0.35 -0.43 -0.52 3.11 -1.97 -1.87 116.57 114.47 3n4v h LYS 113 Ca -0.47 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.48 3n4v h LYS 113 Cb 1.35 0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 32.57 3n4v h LYS 113 CO 0.47 -0.24 -0.23 0.37 -2.81 0.00 0.00 179.45 177.01 3n4v h GLN 114 N -0.37 -0.14 0.00 1.90 5.75 -1.98 0.27 115.11 120.53 3n4v h GLN 114 Ca 0.11 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3n4v h GLN 114 Cb 0.54 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 3n4v h GLN 114 CO -0.38 -0.09 -0.08 0.77 -2.65 0.00 0.00 178.83 176.40 3n4v h SER 115 N -0.15 0.00 -0.04 -0.69 0.02 -1.83 0.16 113.55 111.02 3n4v h SER 115 Ca 0.20 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3n4v h SER 115 Cb 0.46 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.01 3n4v h SER 115 CO -0.52 0.08 -0.43 1.56 -1.14 0.00 0.00 176.83 176.38 3n4v h GLN 116 N 0.00 0.36 -0.92 3.45 4.20 -0.30 -2.38 115.11 119.52 3n4v h GLN 116 Ca -0.00 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.40 3n4v h GLN 116 Cb 0.19 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 3n4v h GLN 116 CO 0.01 1.00 0.60 -0.91 -0.67 0.00 0.00 178.83 178.86 3n4v h ASN 117 N -0.15 1.00 0.45 1.46 -0.26 0.88 -1.62 115.58 117.35 3n4v h ASN 117 Ca -0.04 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.58 3n4v h ASN 117 Cb 1.12 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 3n4v h ASN 117 CO 0.09 0.69 -0.50 -0.61 -1.06 0.00 0.00 177.43 176.03 3n4v h GLN 118 N 1.16 0.06 -0.45 0.81 5.75 -0.78 -1.90 115.11 119.76 3n4v h GLN 118 Ca 0.36 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.70 3n4v h GLN 118 Cb -0.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3n4v h GLN 118 CO -0.12 0.55 -0.23 0.00 -2.65 0.00 0.00 178.83 176.38 3n4v h ALA 119 N 1.45 0.74 0.00 3.38 0.00 -0.81 0.25 119.26 124.27 3n4v h ALA 119 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3n4v h ALA 119 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3n4v h ALA 119 CO 0.07 0.66 -0.40 0.00 0.00 0.00 0.00 179.25 179.58 3n4v h ALA 120 N 0.94 1.22 0.09 0.00 0.00 -0.91 0.26 119.26 120.86 3n4v h ALA 120 Ca 0.10 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 3n4v h ALA 120 Cb 0.79 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.54 3n4v h ALA 120 CO 0.07 0.50 -1.06 -0.22 0.00 0.00 0.00 179.25 178.53 3n4v h LYS 121 N 0.00 0.56 -0.16 0.00 3.64 -1.13 -2.18 116.57 117.29 3n4v h LYS 121 Ca -0.00 -0.72 -0.03 0.00 -1.27 0.00 0.00 60.65 58.62 3n4v h LYS 121 Cb 0.76 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3n4v h LYS 121 CO 0.05 1.31 -0.01 -0.44 -2.27 0.00 0.00 179.45 178.09 3n4v h ASP 122 N 0.14 0.30 -0.86 4.20 3.32 -0.81 -1.65 116.42 121.05 3n4v h ASP 122 Ca -0.16 -0.33 0.14 0.00 0.02 0.00 0.00 57.03 56.70 3n4v h ASP 122 Cb 1.76 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 41.14 3n4v h ASP 122 CO 0.20 0.56 0.46 -0.07 -1.72 0.00 0.00 179.24 178.68 3n4v h LEU 123 N 0.03 0.59 -0.27 1.55 4.07 -0.58 -1.91 115.31 118.78 3n4v h LEU 123 Ca 0.04 0.08 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 3n4v h LEU 123 Cb 0.41 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 3n4v h LEU 123 CO 0.01 0.27 -0.45 0.00 -1.08 0.00 0.00 178.44 177.20 3n4v h ALA 124 N 1.54 0.42 0.34 1.53 0.00 -1.10 -2.35 119.26 119.65 3n4v h ALA 124 Ca 0.46 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3n4v h ALA 124 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n4v h ALA 124 CO -0.33 0.56 -0.16 -0.09 0.00 0.00 0.00 179.25 179.23 3n4v h ARG 125 N 0.54 -0.44 -0.73 0.00 2.43 -1.14 0.30 114.38 115.34 3n4v h ARG 125 Ca 0.02 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3n4v h ARG 125 Cb 1.05 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 3n4v h ARG 125 CO 0.10 -0.26 0.31 0.35 -1.51 0.00 0.00 179.97 178.97 3n4v h PHE 126 N -0.52 0.54 -0.32 2.20 3.57 -1.35 -0.73 116.94 120.34 3n4v h PHE 126 Ca -0.05 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 3n4v h PHE 126 Cb 0.39 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3n4v h PHE 126 CO -0.04 0.12 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.73 3n4v h LEU 127 N 0.49 0.78 0.06 0.59 3.38 -1.25 -1.19 115.31 118.17 3n4v h LEU 127 Ca 0.38 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3n4v h LEU 127 Cb 0.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n4v h LEU 127 CO -0.35 1.07 -0.08 -1.28 0.09 0.00 0.00 178.44 177.89 3n4v h SER 128 N 0.61 -0.22 0.37 -0.43 0.87 0.30 0.08 113.55 115.13 3n4v h SER 128 Ca 0.06 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3n4v h SER 128 Cb 0.91 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3n4v h SER 128 CO 0.08 -0.12 -0.37 -0.33 -0.53 0.00 0.00 176.83 175.56 3n4v h GLU 129 N -0.17 -0.74 -1.00 2.24 4.39 -1.20 -2.28 114.58 115.82 3n4v h GLU 129 Ca 0.01 0.05 0.23 0.00 0.34 0.00 0.00 59.36 59.99 3n4v h GLU 129 Cb 0.18 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 28.87 3n4v h GLU 129 CO -0.04 -0.49 0.59 1.25 -1.16 0.00 0.00 179.01 179.16 3n4v h LEU 130 N -0.76 0.70 -0.11 1.33 5.85 -0.97 0.29 115.31 121.63 3n4v h LEU 130 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3n4v h LEU 130 Cb 0.69 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3n4v h LEU 130 CO -0.07 0.15 -0.11 1.41 -0.34 0.00 0.00 178.44 179.49 3n4v n HIS 131 N -4.86 0.00 0.74 1.25 8.25 -0.01 -3.26 115.22 117.34 3n4v n HIS 131 Ca 0.26 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.82 3n4v n HIS 131 Cb 0.69 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 31.44 3n4v n HIS 131 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3n4v n SER 132 N -1.19 0.72 -4.71 0.41 7.64 0.96 -4.64 113.62 112.81 3n4v n SER 132 Ca 0.12 -0.64 -0.43 0.00 1.01 0.00 0.00 58.87 58.93 3n4v n SER 132 Cb 0.29 1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 64.58 3n4v n SER 132 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3n4v n ILE 133 N -1.71 1.14 -1.98 0.44 5.41 -0.95 -4.88 119.36 116.83 3n4v n ILE 133 Ca 0.02 -0.28 -0.42 0.00 1.00 0.00 0.00 62.75 63.07 3n4v n ILE 133 Cb 0.39 -1.74 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 3n4v n ILE 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3n4v s ASN 134 N 0.31 6.63 0.00 4.38 3.84 -1.26 -4.69 114.94 124.15 3n4v s ASN 134 Ca 0.64 2.60 0.09 0.00 0.21 0.00 0.00 52.86 56.40 3n4v s ASN 134 Cb -0.56 -2.60 0.16 0.00 -0.55 0.00 0.00 41.25 37.70 3n4v s ASN 134 CO 0.51 -0.77 0.99 0.00 -2.79 0.00 0.00 177.10 175.04 3n4v n ILE 135 N 3.53 0.50 0.26 -5.21 0.13 -1.26 -4.64 119.36 112.67 3n4v n ILE 135 Ca 0.12 -0.75 0.12 0.00 -1.10 0.00 0.00 62.75 61.13 3n4v n ILE 135 Cb 0.39 0.84 0.72 0.00 -0.84 0.00 0.00 39.64 40.76 3n4v n ILE 135 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3n4v h SER 136 N 1.69 0.00 0.01 9.51 0.02 -2.01 -2.66 113.55 120.11 3n4v h SER 136 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n4v h SER 136 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3n4v h SER 136 CO 0.00 0.11 -0.04 0.61 -1.14 0.00 0.00 176.83 176.37 3n4v n GLY 137 N -0.88 0.04 3.67 -3.77 0.00 -1.26 -4.90 105.19 98.09 3n4v n GLY 137 Ca -0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3n4v n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n4v s PHE 138 N -2.06 3.39 1.09 1.61 2.99 -1.01 -5.04 117.98 118.96 3n4v s PHE 138 Ca 0.35 1.39 -0.12 0.00 0.00 0.00 0.00 56.93 58.55 3n4v s PHE 138 Cb 0.21 -3.15 0.24 0.00 0.00 0.00 0.00 43.02 40.31 3n4v s PHE 138 CO 0.36 -0.35 1.06 0.15 -0.00 0.00 0.00 175.22 176.43 3n4v s LYS 139 N 2.62 -0.33 0.42 0.44 1.02 -1.26 -4.93 119.74 117.72 3n4v s LYS 139 Ca 0.42 0.95 0.18 0.00 0.02 0.00 0.00 55.97 57.53 3n4v s LYS 139 Cb -0.16 -1.61 0.94 0.00 -0.52 0.00 0.00 37.83 36.48 3n4v s LYS 139 CO 0.10 -3.36 1.90 0.66 -0.92 0.00 0.00 175.35 173.74 3n4v h SER 140 N -2.37 0.00 0.14 2.83 4.64 -1.96 -2.70 113.55 114.14 3n4v h SER 140 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3n4v h SER 140 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3n4v h SER 140 CO 0.49 0.28 0.00 -0.46 -0.87 0.00 0.00 176.83 176.27 3n4v n ASN 141 N -3.93 0.00 -0.58 4.97 2.04 -1.26 -1.06 115.26 115.43 3n4v n ASN 141 Ca -0.02 0.50 0.09 0.00 -0.44 0.00 0.00 54.58 54.71 3n4v n ASN 141 Cb 0.35 -0.50 0.04 0.00 -2.53 0.00 0.00 39.78 37.14 3n4v n ASN 141 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3n4v n LEU 142 N -1.50 2.16 -4.80 -4.53 4.77 -1.02 -4.94 117.00 107.15 3n4v n LEU 142 Ca 0.01 -0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 54.73 3n4v n LEU 142 Cb 0.05 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3n4v n LEU 142 CO 0.04 0.39 -0.04 -0.69 -1.33 0.00 0.00 177.39 175.75 3n4v s VAL 143 N -1.76 5.30 -0.25 4.08 1.01 -0.23 -0.89 120.40 127.67 3n4v s VAL 143 Ca 0.18 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 3n4v s VAL 143 Cb 0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3n4v s VAL 143 CO 0.33 0.51 0.55 -0.76 0.00 0.00 0.00 175.10 175.72 3n4v s LEU 144 N -0.35 4.07 -0.67 3.92 1.02 -0.22 -4.91 118.68 121.54 3n4v s LEU 144 Ca 0.17 0.61 -0.15 0.00 0.02 0.00 0.00 54.13 54.78 3n4v s LEU 144 Cb -0.13 -2.73 0.17 0.00 0.02 0.00 0.00 46.19 43.51 3n4v s LEU 144 CO 0.06 -0.29 0.63 -0.62 0.02 0.00 0.00 176.35 176.15 3n4v s ASP 145 N 1.44 6.45 0.11 2.29 2.15 -1.26 -4.81 116.67 123.03 3n4v s ASP 145 Ca 0.23 -2.19 -0.24 0.00 0.43 0.00 0.00 52.55 50.79 3n4v s ASP 145 Cb -0.16 -2.21 -0.10 0.00 -0.30 0.00 0.00 42.92 40.15 3n4v s ASP 145 CO 0.09 -0.74 1.69 0.15 -0.17 0.00 0.00 175.17 176.19 3n4v h PHE 146 N 8.40 -0.30 -0.97 -5.34 3.57 -1.96 -1.06 116.94 119.29 3n4v h PHE 146 Ca -0.11 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.59 3n4v h PHE 146 Cb 1.07 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 3n4v h PHE 146 CO 0.87 -0.18 0.61 -0.09 -2.23 0.00 0.00 178.31 177.30 3n4v h ARG 147 N -0.22 0.56 0.26 1.11 2.43 -1.92 -1.65 114.38 114.95 3n4v h ARG 147 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3n4v h ARG 147 Cb 0.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3n4v h ARG 147 CO -0.09 0.37 -0.12 1.49 -1.51 0.00 0.00 179.97 180.11 3n4v h GLU 148 N 0.58 -0.33 -0.18 0.20 4.57 -1.67 -2.48 114.58 115.27 3n4v h GLU 148 Ca 0.53 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.79 3n4v h GLU 148 Cb 1.07 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 3n4v h GLU 148 CO -0.28 -0.11 -0.34 0.87 -1.18 0.00 0.00 179.01 177.98 3n4v h LYS 149 N -0.50 -0.37 -0.80 1.92 1.79 -0.37 -0.18 116.57 118.07 3n4v h LYS 149 Ca -0.04 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.61 3n4v h LYS 149 Cb 0.37 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.05 3n4v h LYS 149 CO 0.06 -0.25 0.53 0.82 -1.08 0.00 0.00 179.45 179.53 3n4v h ILE 150 N -0.38 0.79 -0.13 1.86 1.08 -1.40 0.33 117.51 119.67 3n4v h ILE 150 Ca 0.11 -0.16 -0.23 0.00 -0.39 0.00 0.00 64.86 64.18 3n4v h ILE 150 Cb 0.56 0.27 0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3n4v h ILE 150 CO -0.40 0.09 -0.83 0.78 -0.69 0.00 0.00 178.15 177.10 3n4v h ASN 151 N 0.48 0.95 1.13 1.72 2.35 -0.77 -1.58 115.58 119.86 3n4v h ASN 151 Ca 0.40 -0.65 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 3n4v h ASN 151 Cb 0.85 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3n4v h ASN 151 CO -0.14 1.45 -0.44 -0.33 -1.65 0.00 0.00 177.43 176.32 3n4v h GLU 152 N 0.52 0.00 0.08 0.81 4.39 0.12 -2.77 114.58 117.73 3n4v h GLU 152 Ca -0.07 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 3n4v h GLU 152 Cb 1.46 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.13 3n4v h GLU 152 CO 0.17 0.44 -0.69 -0.44 -1.16 0.00 0.00 179.01 177.32 3n4v h ASP 153 N 0.00 0.47 -0.97 1.42 3.32 -0.41 -1.36 116.42 118.90 3n4v h ASP 153 Ca -0.00 -0.87 0.20 0.00 0.02 0.00 0.00 57.03 56.38 3n4v h ASP 153 Cb 1.12 -0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.41 3n4v h ASP 153 CO 0.06 1.30 0.56 -1.13 -1.72 0.00 0.00 179.24 178.31 3n4v h ASN 154 N -0.29 0.67 -0.11 6.45 -0.00 -1.29 0.46 115.58 121.48 3n4v h ASN 154 Ca -0.11 0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 3n4v h ASN 154 Cb 1.48 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 39.80 3n4v h ASN 154 CO 0.13 0.19 -0.17 0.11 -0.00 0.00 0.00 177.43 177.69 3n4v h LYS 155 N 0.65 0.31 -0.77 6.67 1.57 -1.44 0.20 116.57 123.77 3n4v h LYS 155 Ca 0.58 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 3n4v h LYS 155 Cb 0.98 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3n4v h LYS 155 CO -0.42 0.77 0.43 0.87 -0.57 0.00 0.00 179.45 180.52 3n4v h LYS 156 N -0.12 1.06 0.59 3.15 1.57 -0.13 -1.32 116.57 121.37 3n4v h LYS 156 Ca 0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3n4v h LYS 156 Cb 0.74 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3n4v h LYS 156 CO 0.04 0.78 -0.37 0.82 -0.57 0.00 0.00 179.45 180.15 3n4v h ILE 157 N 1.06 0.00 -0.91 1.86 1.08 -0.12 0.17 117.51 120.65 3n4v h ILE 157 Ca 0.27 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 65.00 3n4v h ILE 157 Cb 0.01 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.62 3n4v h ILE 157 CO -0.05 0.00 0.24 0.11 -0.69 0.00 0.00 178.15 177.77 3n4v h LYS 158 N -0.90 0.17 0.40 2.37 1.79 -0.78 0.12 116.57 119.73 3n4v h LYS 158 Ca -0.08 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3n4v h LYS 158 Cb 0.73 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3n4v h LYS 158 CO 0.07 0.11 -0.19 -0.22 -1.08 0.00 0.00 179.45 178.14 3n4v h LYS 159 N 0.17 -0.51 -0.67 3.15 3.64 -1.15 -3.18 116.57 118.01 3n4v h LYS 159 Ca 0.59 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 60.14 3n4v h LYS 159 Cb 1.23 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 33.04 3n4v h LYS 159 CO -0.70 -0.34 -0.13 -0.07 -2.27 0.00 0.00 179.45 175.94 3n4v h LEU 160 N -0.87 -0.56 -2.17 5.20 4.07 -0.01 -1.85 115.31 119.12 3n4v h LEU 160 Ca -0.05 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3n4v h LEU 160 Cb 0.41 0.40 0.00 0.00 1.08 0.00 0.00 40.66 42.55 3n4v h LEU 160 CO 0.09 -0.21 0.00 0.18 -1.08 0.00 0.00 178.44 177.42 3n4v n LEU 161 N -5.43 3.23 -0.27 1.67 4.32 0.35 -4.41 117.00 116.46 3n4v n LEU 161 Ca 0.09 -1.63 0.00 0.00 -0.02 0.00 0.00 56.01 54.45 3n4v n LEU 161 Cb 0.36 -0.54 0.13 0.00 -1.62 0.00 0.00 43.42 41.75 3n4v n LEU 161 CO 0.04 0.46 1.14 -1.28 -1.22 0.00 0.00 177.39 176.52 3n4v h SER 162 N 2.11 0.67 -0.23 -1.43 0.87 -1.30 -2.77 113.55 111.47 3n4v h SER 162 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3n4v h SER 162 Cb 1.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3n4v h SER 162 CO 0.21 0.42 0.00 0.54 -0.53 0.00 0.00 176.83 177.47 3n4v n ARG 163 N -4.72 1.95 -0.10 2.24 1.74 -1.26 -4.50 116.66 112.00 3n4v n ARG 163 Ca 0.11 -1.84 -0.11 0.00 -0.77 0.00 0.00 57.85 55.23 3n4v n ARG 163 Cb 0.20 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.14 3n4v n ARG 163 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n4v n GLU 164 N 0.96 0.68 -4.59 5.56 -0.58 -1.06 -4.98 120.64 116.64 3n4v n GLU 164 Ca 0.13 0.05 -0.33 0.00 -0.42 0.00 0.00 57.16 56.59 3n4v n GLU 164 Cb 0.45 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.66 3n4v n GLU 164 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3n4v s LEU 165 N -5.75 3.07 0.87 -4.62 1.43 -1.12 -5.11 118.68 107.45 3n4v s LEU 165 Ca -0.14 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3n4v s LEU 165 Cb 0.07 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.68 3n4v s LEU 165 CO 0.79 0.32 1.09 -0.54 0.23 0.00 0.00 176.35 178.24 3n4v s LYS 166 N -1.13 1.46 0.13 1.70 1.02 -1.26 -4.70 119.74 116.95 3n4v s LYS 166 Ca 0.15 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 56.65 3n4v s LYS 166 Cb -0.11 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 3n4v s LYS 166 CO 0.04 -2.10 1.59 0.78 -0.92 0.00 0.00 175.35 174.75 3n4v h GLY 167 N -1.45 -0.69 0.13 -3.33 0.00 -1.99 0.18 103.07 95.92 3n4v h GLY 167 Ca -0.49 0.48 0.19 0.00 0.00 0.00 0.00 47.33 47.51 3n4v h GLY 167 CO 0.55 -0.24 0.61 -2.55 0.00 0.00 0.00 176.54 174.92 3n4v h PRO 168 N -0.53 0.72 -0.26 4.80 0.11 -1.99 -2.03 132.00 132.83 3n4v h PRO 168 Ca 0.06 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 3n4v h PRO 168 Cb 0.62 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3n4v h PRO 168 CO -0.33 0.48 -0.33 1.96 -0.21 0.00 0.00 178.00 179.57 3n4v h GLN 169 N 0.74 0.68 -0.56 1.05 4.20 -1.46 -1.38 115.11 118.37 3n4v h GLN 169 Ca 0.58 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3n4v h GLN 169 Cb 0.92 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 3n4v h GLN 169 CO -0.37 1.00 0.37 0.52 -0.67 0.00 0.00 178.83 179.68 3n4v h MET 170 N 0.40 0.72 -0.16 1.46 2.86 -0.62 -2.82 114.93 116.78 3n4v h MET 170 Ca 0.03 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 3n4v h MET 170 Cb 0.91 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.42 3n4v h MET 170 CO 0.08 0.48 -0.69 -0.22 1.06 0.00 0.00 176.91 177.61 3n4v h LYS 171 N 0.74 0.74 -0.54 1.72 1.63 -1.14 -2.38 116.57 117.35 3n4v h LYS 171 Ca 0.21 -0.59 0.10 0.00 -0.85 0.00 0.00 60.65 59.52 3n4v h LYS 171 Cb -0.06 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3n4v h LYS 171 CO -0.05 1.21 0.37 0.00 -3.45 0.00 0.00 179.45 177.53 3n4v h ALA 172 N 0.54 2.13 0.18 5.00 0.00 -1.01 0.14 119.26 126.24 3n4v h ALA 172 Ca -0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 3n4v h ALA 172 Cb 1.33 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.09 3n4v h ALA 172 CO 0.14 -0.26 -1.38 -0.24 0.00 0.00 0.00 179.25 177.52 3n4v h VAL 173 N 0.28 1.37 -0.65 0.00 3.04 -1.39 -2.10 116.25 116.80 3n4v h VAL 173 Ca 0.25 -2.88 0.08 0.00 -1.01 0.00 0.00 66.70 63.14 3n4v h VAL 173 Cb 0.62 2.97 -0.04 0.00 -2.01 0.00 0.00 31.29 32.82 3n4v h VAL 173 CO -0.05 0.85 0.43 0.44 -1.01 0.00 0.00 177.57 178.23 3n4v h ASP 174 N 0.10 0.50 -0.14 3.17 3.45 -0.76 0.33 116.42 123.09 3n4v h ASP 174 Ca -0.20 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 3n4v h ASP 174 Cb 2.06 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 40.73 3n4v h ASP 174 CO 0.23 0.32 -0.18 0.44 -1.57 0.00 0.00 179.24 178.48 3n4v h ASP 175 N 0.57 0.39 -0.31 6.45 3.45 -0.94 -1.44 116.42 124.58 3n4v h ASP 175 Ca 0.29 -0.51 0.03 0.00 0.43 0.00 0.00 57.03 57.27 3n4v h ASP 175 Cb 0.40 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3n4v h ASP 175 CO -0.09 0.83 0.12 0.15 -1.57 0.00 0.00 179.24 178.68 3n4v h PHE 176 N -0.03 0.23 -0.41 4.55 3.57 -0.64 0.17 116.94 124.38 3n4v h PHE 176 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3n4v h PHE 176 Cb 0.73 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3n4v h PHE 176 CO 0.09 0.11 0.15 1.88 -2.23 0.00 0.00 178.31 178.32 3n4v h TYR 177 N 0.27 0.59 -0.11 0.41 -1.99 -0.29 -1.90 116.97 113.95 3n4v h TYR 177 Ca 0.13 -0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.65 3n4v h TYR 177 Cb 0.08 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 3n4v h TYR 177 CO -0.12 0.47 -0.71 0.00 -0.00 0.00 0.00 178.16 177.80 3n4v h ARG 178 N 0.59 0.52 -0.99 4.88 3.08 -0.70 -2.25 114.38 119.51 3n4v h ARG 178 Ca 0.14 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.80 3n4v h ARG 178 Cb 0.14 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3n4v h ARG 178 CO -0.01 1.04 0.65 -0.44 -1.07 0.00 0.00 179.97 180.14 3n4v h ASP 179 N 0.37 1.12 -0.47 7.04 3.45 -0.01 -1.47 116.42 126.44 3n4v h ASP 179 Ca -0.03 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 3n4v h ASP 179 Cb 1.29 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 3n4v h ASP 179 CO 0.13 0.80 0.05 0.40 -1.57 0.00 0.00 179.24 179.05 3n4v h ILE 180 N 1.31 1.25 0.00 0.35 2.04 -1.29 -2.66 117.51 118.51 3n4v h ILE 180 Ca 0.37 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3n4v h ILE 180 Cb -0.11 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3n4v h ILE 180 CO -0.09 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.58 3n4v n LEU 181 N -4.42 0.11 -0.57 1.44 4.77 -0.85 -2.68 117.00 114.80 3n4v n LEU 181 Ca 0.01 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 3n4v n LEU 181 Cb 0.27 -0.49 0.09 0.00 -2.33 0.00 0.00 43.42 40.95 3n4v n LEU 181 CO 0.41 -0.14 0.50 -0.62 -1.33 0.00 0.00 177.39 176.21 3n4v n GLU 182 N -1.61 1.34 -3.45 3.23 1.02 -0.61 -4.83 120.64 115.74 3n4v n GLU 182 Ca 0.05 -1.49 -0.43 0.00 -0.02 0.00 0.00 57.16 55.26 3n4v n GLU 182 Cb 0.28 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 3n4v n GLU 182 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3n4v s ASN 183 N -1.04 6.04 0.33 1.62 3.84 -1.01 -4.94 114.94 119.77 3n4v s ASN 183 Ca 0.18 -1.25 0.25 0.00 0.21 0.00 0.00 52.86 52.25 3n4v s ASN 183 Cb 0.11 -2.14 1.16 0.00 -0.55 0.00 0.00 41.25 39.84 3n4v s ASN 183 CO 0.16 -0.58 1.76 -0.33 -2.79 0.00 0.00 177.10 175.32 3n4v h GLU 184 N 8.66 0.00 -0.91 0.43 4.39 -1.88 -3.07 114.58 122.20 3n4v h GLU 184 Ca -0.27 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.51 3n4v h GLU 184 Cb 1.11 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 3n4v h GLU 184 CO 0.82 0.00 0.59 0.97 -1.16 0.00 0.00 179.01 180.23 3n4v h ILE 185 N 0.00 1.02 0.00 3.13 2.10 -1.92 0.42 117.51 122.26 3n4v h ILE 185 Ca 0.00 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3n4v h ILE 185 Cb 0.24 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.92 3n4v h ILE 185 CO 0.00 0.18 0.00 -1.22 -1.08 0.00 0.00 178.15 176.03 3n4v n TYR 186 N -4.51 0.38 -0.00 2.19 4.01 -1.16 -3.89 117.16 114.17 3n4v n TYR 186 Ca 0.15 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 3n4v n TYR 186 Cb 0.25 -0.70 -0.00 0.00 -0.31 0.00 0.00 39.34 38.57 3n4v n TYR 186 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3n4v n PHE 187 N -1.82 0.00 -2.94 -0.72 3.01 -0.54 -4.84 117.46 109.61 3n4v n PHE 187 Ca 0.05 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.07 3n4v n PHE 187 Cb 0.31 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3n4v n PHE 187 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3n4v n LYS 188 N -1.77 3.74 -4.41 -1.08 4.81 0.14 -4.91 118.16 114.67 3n4v n LYS 188 Ca -0.00 -4.12 -0.22 0.00 -0.87 0.00 0.00 58.31 53.10 3n4v n LYS 188 Cb 0.27 -2.75 -0.08 0.00 0.02 0.00 0.00 35.03 32.48 3n4v n LYS 188 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3n4v s TYR 189 N -0.52 1.73 -0.41 5.64 -0.85 -1.26 -4.87 117.35 116.81 3n4v s TYR 189 Ca 0.36 -1.40 -0.09 0.00 -0.52 0.00 0.00 57.07 55.41 3n4v s TYR 189 Cb -0.00 -0.96 0.07 0.00 0.38 0.00 0.00 41.96 41.44 3n4v s TYR 189 CO 0.00 -0.50 0.25 0.71 -1.52 0.00 0.00 175.55 174.49 3n4v s TYR 190 N -3.38 3.32 0.51 -3.49 2.02 -1.26 -5.06 117.35 110.01 3n4v s TYR 190 Ca 0.31 -1.45 -0.23 0.00 -0.37 0.00 0.00 57.07 55.34 3n4v s TYR 190 Cb 0.03 -2.89 -0.06 0.00 -0.40 0.00 0.00 41.96 38.64 3n4v s TYR 190 CO 0.19 -0.82 1.32 -2.14 -1.57 0.00 0.00 175.55 172.52 3n4v s PRO 191 N 1.44 3.40 0.37 -1.71 0.02 -1.26 -4.65 135.00 132.62 3n4v s PRO 191 Ca 0.03 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.09 3n4v s PRO 191 Cb -0.23 -2.37 0.04 0.00 0.02 0.00 0.00 34.50 31.96 3n4v s PRO 191 CO 0.03 -0.96 0.68 0.00 -0.33 0.00 0.00 177.00 176.42 3n4v s LEU 193 N -3.14 4.19 0.04 0.00 2.96 -1.26 -0.84 118.68 120.63 3n4v s LEU 193 Ca 0.21 1.73 0.09 0.00 -0.22 0.00 0.00 54.13 55.94 3n4v s LEU 193 Cb -0.03 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3n4v s LEU 193 CO 0.15 -0.79 -0.25 0.27 -1.32 0.00 0.00 176.35 174.41 3n4v s ILE 194 N 3.59 2.04 0.24 6.68 -4.36 -0.04 -4.11 121.20 125.23 3n4v s ILE 194 Ca 0.57 -1.31 -0.06 0.00 -0.26 0.00 0.00 60.65 59.58 3n4v s ILE 194 Cb -0.23 -1.74 0.23 0.00 1.25 0.00 0.00 42.46 41.97 3n4v s ILE 194 CO 0.16 0.37 1.89 -0.74 0.24 0.00 0.00 174.94 176.86 3n4v h HIS 195 N 4.90 1.12 0.00 1.37 -0.00 -1.93 -2.19 115.15 118.42 3n4v h HIS 195 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 3n4v h HIS 195 Cb 1.14 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 3n4v h HIS 195 CO 0.47 0.65 0.00 -1.71 -0.00 0.00 0.00 177.93 177.34 3n4v n ASN 196 N -4.50 -2.28 -2.79 3.26 5.15 -1.26 -2.40 115.26 110.45 3n4v n ASN 196 Ca 0.12 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.99 3n4v n ASN 196 Cb 0.08 -1.69 0.04 0.00 -0.53 0.00 0.00 39.78 37.68 3n4v n ASN 196 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3n4v n ASP 197 N -0.26 0.24 -4.45 1.20 4.64 -1.26 -4.87 116.55 111.79 3n4v n ASP 197 Ca 0.00 -2.81 -0.44 0.00 -1.38 0.00 0.00 54.79 50.16 3n4v n ASP 197 Cb 0.13 0.01 -0.03 0.00 -1.04 0.00 0.00 41.12 40.19 3n4v n ASP 197 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3n4v s PHE 198 N -1.95 2.97 0.13 -0.67 5.36 -1.26 -4.84 117.98 117.72 3n4v s PHE 198 Ca 0.28 -1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 55.11 3n4v s PHE 198 Cb 0.41 -4.28 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 3n4v s PHE 198 CO -0.02 -1.53 0.10 -1.54 -1.46 0.00 0.00 175.22 170.76 3n4v s SER 199 N 3.67 0.26 0.41 6.13 1.04 -1.26 -3.78 113.70 120.18 3n4v s SER 199 Ca 0.29 -1.11 0.17 0.00 0.48 0.00 0.00 55.95 55.78 3n4v s SER 199 Cb -0.09 0.32 1.07 0.00 0.10 0.00 0.00 66.02 67.41 3n4v s SER 199 CO -0.03 -0.75 1.84 0.77 0.98 0.00 0.00 173.24 176.05 3n4v h SER 200 N 2.82 0.43 0.58 7.02 4.64 -1.87 -0.40 113.55 126.77 3n4v h SER 200 Ca -0.34 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3n4v h SER 200 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3n4v h SER 200 CO 0.57 0.16 0.00 0.47 -0.87 0.00 0.00 176.83 177.16 3n4v n ASP 201 N -4.54 0.00 -0.68 4.97 9.92 -1.26 -2.49 116.55 122.48 3n4v n ASP 201 Ca 0.20 0.27 0.07 0.00 -0.53 0.00 0.00 54.79 54.80 3n4v n ASP 201 Cb 0.72 -0.41 0.18 0.00 -0.64 0.00 0.00 41.12 40.98 3n4v n ASP 201 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3n4v n HIS 202 N -1.41 0.60 -4.07 1.24 8.25 -0.16 -4.87 115.22 114.81 3n4v n HIS 202 Ca 0.07 -0.66 -0.33 0.00 -0.26 0.00 0.00 57.72 56.54 3n4v n HIS 202 Cb 0.21 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.03 3n4v n HIS 202 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n4v s ILE 203 N -1.78 2.21 0.16 1.59 1.01 -1.04 -1.22 121.20 122.13 3n4v s ILE 203 Ca 0.29 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 3n4v s ILE 203 Cb 0.20 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3n4v s ILE 203 CO 0.12 0.14 0.39 -0.76 0.00 0.00 0.00 174.94 174.82 3n4v s LEU 204 N 1.17 4.24 -0.01 2.97 1.43 0.31 -0.09 118.68 128.71 3n4v s LEU 204 Ca -0.05 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3n4v s LEU 204 Cb -0.18 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3n4v s LEU 204 CO -0.07 0.02 -0.03 0.12 0.23 0.00 0.00 176.35 176.61 3n4v s PHE 205 N -1.72 0.40 -0.50 0.29 5.36 0.19 -0.71 117.98 121.28 3n4v s PHE 205 Ca 0.41 -0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 56.15 3n4v s PHE 205 Cb -0.12 -0.31 0.09 0.00 -0.34 0.00 0.00 43.02 42.34 3n4v s PHE 205 CO 0.26 -0.05 0.45 0.34 -1.46 0.00 0.00 175.22 174.76 3n4v s ASP 206 N 0.20 6.17 0.55 6.13 -1.08 0.37 -2.30 116.67 126.71 3n4v s ASP 206 Ca -0.02 -1.44 0.33 0.00 -0.52 0.00 0.00 52.55 50.90 3n4v s ASP 206 Cb -0.05 -2.20 1.34 0.00 -1.46 0.00 0.00 42.92 40.55 3n4v s ASP 206 CO -0.00 -0.73 1.97 0.74 0.52 0.00 0.00 175.17 177.67 3n4v h THR 207 N 5.80 0.01 0.00 1.71 2.02 -1.95 1.11 112.91 121.61 3n4v h THR 207 Ca -0.29 -0.53 -0.32 0.00 0.77 0.00 0.00 66.41 66.04 3n4v h THR 207 Cb 1.11 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.98 3n4v h THR 207 CO 0.94 0.00 -2.18 -1.84 0.37 0.00 0.00 175.52 172.81 3n4v n GLU 208 N -3.09 0.67 0.01 6.66 0.28 -1.26 -3.93 120.64 119.98 3n4v n GLU 208 Ca 0.01 0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.18 3n4v n GLU 208 Cb 0.31 -1.59 0.14 0.00 1.43 0.00 0.00 31.44 31.73 3n4v n GLU 208 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3n4v n LYS 209 N -2.80 0.10 -3.74 3.44 5.02 -1.11 -4.99 118.16 114.07 3n4v n LYS 209 Ca -0.27 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.79 3n4v n LYS 209 Cb 1.09 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 34.60 3n4v n LYS 209 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3n4v n ASN 210 N -1.67 -3.00 -3.88 4.39 3.02 0.37 -5.01 115.26 109.48 3n4v n ASN 210 Ca 0.04 -0.76 -0.12 0.00 -0.03 0.00 0.00 54.58 53.71 3n4v n ASN 210 Cb 0.37 -4.18 -0.13 0.00 -0.61 0.00 0.00 39.78 35.23 3n4v n ASN 210 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3n4v s THR 211 N -3.48 0.02 0.21 3.41 -4.23 -0.76 -4.93 115.64 105.88 3n4v s THR 211 Ca 0.29 -0.18 -0.31 0.00 -1.18 0.00 0.00 61.69 60.31 3n4v s THR 211 Cb -0.14 -0.11 -0.15 0.00 1.34 0.00 0.00 72.50 73.44 3n4v s THR 211 CO 0.80 -0.10 1.02 -0.38 -0.54 0.00 0.00 174.62 175.43 3n4v n ILE 212 N 2.75 1.40 -1.96 2.99 5.41 -1.26 -0.48 119.36 128.21 3n4v n ILE 212 Ca -0.15 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.26 3n4v n ILE 212 Cb 0.59 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3n4v n ILE 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3n4v n GLY 214 N -0.05 2.70 3.15 0.00 0.00 -1.21 -4.44 105.19 105.35 3n4v n GLY 214 Ca 0.01 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3n4v n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n4v s ILE 215 N -2.00 1.32 0.35 -0.61 -1.09 -0.66 -0.53 121.20 117.98 3n4v s ILE 215 Ca 0.00 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 3n4v s ILE 215 Cb 0.00 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.75 3n4v s ILE 215 CO 0.00 0.36 0.20 0.27 -1.23 0.00 0.00 174.94 174.54 3n4v s ILE 216 N -0.41 0.27 -0.44 2.92 -4.36 -0.36 -4.15 121.20 114.68 3n4v s ILE 216 Ca 0.06 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 3n4v s ILE 216 Cb -0.06 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.22 3n4v s ILE 216 CO -0.01 0.00 0.55 0.47 0.24 0.00 0.00 174.94 176.20 3n4v n ASP 217 N -1.31 -7.31 -1.32 4.36 8.00 -1.26 -4.84 116.55 112.88 3n4v n ASP 217 Ca 0.01 0.38 0.11 0.00 0.71 0.00 0.00 54.79 56.00 3n4v n ASP 217 Cb 0.64 -4.92 0.31 0.00 -0.02 0.00 0.00 41.12 37.13 3n4v n ASP 217 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3n4v n PHE 218 N -0.58 0.95 0.32 1.24 3.72 -1.26 -4.54 117.46 117.31 3n4v n PHE 218 Ca 0.09 -0.50 0.18 0.00 -0.05 0.00 0.00 57.45 57.17 3n4v n PHE 218 Cb 0.43 -0.00 0.93 0.00 -0.94 0.00 0.00 39.48 39.90 3n4v n PHE 218 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3n4v h GLY 219 N 4.18 0.00 -1.00 1.37 0.00 -1.88 0.13 103.07 105.86 3n4v h GLY 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n4v h GLY 219 CO 0.00 0.00 -0.09 1.22 0.00 0.00 0.00 176.54 177.67 3n4v n ASP 220 N -3.01 1.98 -4.66 0.19 8.00 -1.26 -4.68 116.55 113.11 3n4v n ASP 220 Ca -0.02 -1.49 -0.40 0.00 0.71 0.00 0.00 54.79 53.59 3n4v n ASP 220 Cb 0.30 0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.58 3n4v n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n4v n ALA 221 N 0.50 0.76 -3.65 2.24 0.00 0.46 -4.65 120.51 116.18 3n4v n ALA 221 Ca 0.08 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 3n4v n ALA 221 Cb 0.34 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 3n4v n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n4v s ALA 222 N -1.32 -2.05 -0.10 0.00 0.00 -0.82 -4.94 121.76 112.53 3n4v s ALA 222 Ca 0.67 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 3n4v s ALA 222 Cb -0.48 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3n4v s ALA 222 CO 0.53 -1.00 0.89 0.42 0.00 0.00 0.00 175.76 176.60 3n4v s ILE 223 N -2.69 4.88 0.00 0.00 1.09 -0.07 -0.87 121.20 123.54 3n4v s ILE 223 Ca 0.13 1.80 0.00 0.00 -1.10 0.00 0.00 60.65 61.48 3n4v s ILE 223 Cb 0.02 -4.21 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 3n4v s ILE 223 CO -0.02 0.09 0.00 -0.24 -0.10 0.00 0.00 174.94 174.66 3n4v n SER 224 N 4.65 0.00 -4.67 3.58 2.88 -0.02 -1.05 113.62 118.99 3n4v n SER 224 Ca 0.05 -0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 56.81 3n4v n SER 224 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 3n4v n SER 224 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3n4v s ASP 225 N 0.91 7.03 0.43 -3.46 3.68 -1.26 -1.87 116.67 122.12 3n4v s ASP 225 Ca 0.00 1.27 0.11 0.00 2.13 0.00 0.00 52.55 56.06 3n4v s ASP 225 Cb 0.00 -2.48 0.94 0.00 -1.45 0.00 0.00 42.92 39.93 3n4v s ASP 225 CO 0.00 -0.42 2.01 1.55 0.13 0.00 0.00 175.17 178.44 3n4v h PRO 226 N 7.27 0.21 -0.98 4.34 0.13 -1.89 -2.04 132.00 139.04 3n4v h PRO 226 Ca -0.29 -0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.08 3n4v h PRO 226 Cb 1.13 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 3n4v h PRO 226 CO 0.85 0.26 0.69 -0.44 -0.23 0.00 0.00 178.00 179.13 3n4v h ASP 227 N 0.21 0.10 0.22 1.44 3.32 -1.97 -2.07 116.42 117.66 3n4v h ASP 227 Ca 0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3n4v h ASP 227 Cb 0.19 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3n4v h ASP 227 CO 0.01 0.03 -0.04 0.78 -1.72 0.00 0.00 179.24 178.30 3n4v h ASN 228 N 0.09 0.00 1.14 6.45 2.35 -1.78 0.29 115.58 124.12 3n4v h ASN 228 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3n4v h ASN 228 Cb 1.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.13 3n4v h ASN 228 CO -0.06 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.23 3n4v n ASP 229 N -3.47 0.27 -0.07 5.81 10.43 -0.78 -3.09 116.55 125.65 3n4v n ASP 229 Ca -0.02 0.53 -0.19 0.00 2.57 0.00 0.00 54.79 57.67 3n4v n ASP 229 Cb 0.15 -0.60 -0.13 0.00 1.84 0.00 0.00 41.12 42.38 3n4v n ASP 229 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3n4v n PHE 230 N -1.75 0.54 0.09 1.24 3.01 0.03 -4.37 117.46 116.25 3n4v n PHE 230 Ca 0.06 0.11 0.05 0.00 1.01 0.00 0.00 57.45 58.69 3n4v n PHE 230 Cb 0.36 -1.07 0.49 0.00 -0.01 0.00 0.00 39.48 39.26 3n4v n PHE 230 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3n4v h ILE 231 N 0.03 1.07 0.00 4.37 2.04 -1.46 -1.91 117.51 121.66 3n4v h ILE 231 Ca -0.51 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3n4v h ILE 231 Cb 1.96 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3n4v h ILE 231 CO -0.01 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.67 3n4v n SER 232 N -4.49 0.34 -0.17 1.72 3.41 -1.18 -2.45 113.62 110.81 3n4v n SER 232 Ca 0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 3n4v n SER 232 Cb 0.07 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 3n4v n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n4v n LEU 233 N -1.84 1.29 0.08 1.04 4.77 -0.72 -4.61 117.00 117.01 3n4v n LEU 233 Ca 0.05 -0.52 -0.11 0.00 -0.03 0.00 0.00 56.01 55.40 3n4v n LEU 233 Cb 0.33 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 3n4v n LEU 233 CO 0.25 0.28 0.03 0.24 -1.33 0.00 0.00 177.39 176.86 3n4v h MET 234 N 0.85 0.13 -6.32 3.23 2.86 -1.42 -2.96 114.93 111.29 3n4v h MET 234 Ca 0.00 -0.22 -0.59 0.00 -2.06 0.00 0.00 59.70 56.83 3n4v h MET 234 Cb 0.58 0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.35 3n4v h MET 234 CO 0.00 1.10 1.11 -0.85 1.06 0.00 0.00 176.91 179.33 3n4v n GLU 235 N -3.43 2.36 -1.99 1.72 0.28 -1.25 -3.49 120.64 114.84 3n4v n GLU 235 Ca -0.05 0.87 -0.41 0.00 -0.16 0.00 0.00 57.16 57.41 3n4v n GLU 235 Cb 0.98 -2.73 -0.02 0.00 1.43 0.00 0.00 31.44 31.10 3n4v n GLU 235 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3n4v s ASP 236 N 3.92 6.61 -0.97 -1.84 1.01 -1.26 -1.14 116.67 123.00 3n4v s ASP 236 Ca 0.91 2.80 -0.01 0.00 0.71 0.00 0.00 52.55 56.96 3n4v s ASP 236 Cb -0.62 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.66 3n4v s ASP 236 CO 0.48 -0.68 0.15 0.47 0.21 0.00 0.00 175.17 175.80 3n4v n ASP 237 N 1.00 -3.99 0.00 0.27 10.43 -1.26 -4.56 116.55 118.44 3n4v n ASP 237 Ca 0.02 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.30 3n4v n ASP 237 Cb 0.41 -3.06 0.00 0.00 1.84 0.00 0.00 41.12 40.31 3n4v n ASP 237 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3n4v n GLU 238 N -2.36 0.00 -1.74 -1.24 4.07 -1.23 -5.12 120.64 113.02 3n4v n GLU 238 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3n4v n GLU 238 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 3n4v n GLU 238 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3n4v n GLU 239 N -1.11 1.85 -1.63 5.31 -0.58 -0.29 -4.90 120.64 119.28 3n4v n GLU 239 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 3n4v n GLU 239 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 3n4v n GLU 239 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3n4v s TYR 240 N -0.95 2.18 0.58 -0.32 2.02 -1.12 -4.53 117.35 115.21 3n4v s TYR 240 Ca 0.00 1.56 -0.07 0.00 -0.37 0.00 0.00 57.07 58.19 3n4v s TYR 240 Cb 0.00 -3.48 0.13 0.00 -0.40 0.00 0.00 41.96 38.21 3n4v s TYR 240 CO 0.00 -2.48 0.79 0.41 -1.57 0.00 0.00 175.55 172.70 3n4v n GLY 241 N 0.40 -0.64 0.27 0.71 0.00 -1.26 -3.81 105.19 100.86 3n4v n GLY 241 Ca 0.13 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3n4v n GLY 241 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3n4v h MET 242 N 0.00 0.29 -0.29 1.61 2.86 -1.89 -2.86 114.93 114.65 3n4v h MET 242 Ca -0.26 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3n4v h MET 242 Cb 0.78 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3n4v h MET 242 CO 0.21 0.29 0.09 1.49 1.06 0.00 0.00 176.91 180.05 3n4v h GLU 243 N 0.29 0.45 -0.21 1.72 4.81 -1.93 -2.44 114.58 117.27 3n4v h GLU 243 Ca 0.07 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3n4v h GLU 243 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3n4v h GLU 243 CO -0.00 0.51 -0.05 0.35 -0.73 0.00 0.00 179.01 179.09 3n4v h PHE 244 N 0.31 0.46 0.00 0.92 3.04 -1.89 -3.00 116.94 116.77 3n4v h PHE 244 Ca 0.09 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 3n4v h PHE 244 Cb 0.25 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3n4v h PHE 244 CO 0.01 0.64 -0.28 -0.24 -2.02 0.00 0.00 178.31 176.42 3n4v h VAL 245 N 0.14 1.16 -0.92 1.41 3.04 -1.54 -0.74 116.25 118.80 3n4v h VAL 245 Ca 0.05 -0.97 0.11 0.00 -1.01 0.00 0.00 66.70 64.89 3n4v h VAL 245 Cb 0.49 1.53 -0.08 0.00 -2.01 0.00 0.00 31.29 31.22 3n4v h VAL 245 CO 0.02 0.27 0.55 0.28 -1.01 0.00 0.00 177.57 177.68 3n4v h SER 246 N 0.00 0.79 -0.19 3.17 0.02 -1.34 0.57 113.55 116.57 3n4v h SER 246 Ca -0.00 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3n4v h SER 246 Cb 0.50 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3n4v h SER 246 CO 0.04 0.43 0.09 0.11 -1.14 0.00 0.00 176.83 176.35 3n4v h LYS 247 N 0.88 0.18 -0.64 3.45 1.57 -1.01 -1.47 116.57 119.54 3n4v h LYS 247 Ca 0.45 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.24 3n4v h LYS 247 Cb 0.44 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3n4v h LYS 247 CO -0.26 0.12 0.41 0.82 -0.57 0.00 0.00 179.45 179.97 3n4v h ILE 248 N 0.19 1.13 -0.52 1.86 2.04 -1.02 -2.14 117.51 119.05 3n4v h ILE 248 Ca 0.08 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3n4v h ILE 248 Cb 0.02 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3n4v h ILE 248 CO -0.06 0.15 0.24 -0.07 0.00 0.00 0.00 178.15 178.42 3n4v h LEU 249 N 0.84 0.66 -0.06 1.44 3.38 0.41 -1.37 115.31 120.61 3n4v h LEU 249 Ca 0.24 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3n4v h LEU 249 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3n4v h LEU 249 CO -0.07 0.57 -0.73 0.78 0.09 0.00 0.00 178.44 179.08 3n4v h ASN 250 N 0.74 0.00 0.95 -0.43 -0.26 -1.06 -1.23 115.58 114.29 3n4v h ASN 250 Ca 0.18 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 3n4v h ASN 250 Cb 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 3n4v h ASN 250 CO -0.02 0.73 -0.26 0.45 -1.06 0.00 0.00 177.43 177.27 3n4v h HIS 251 N 0.00 0.00 0.00 1.19 3.86 -1.05 -3.06 115.15 116.10 3n4v h HIS 251 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3n4v h HIS 251 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3n4v h HIS 251 CO 0.00 0.26 -0.35 0.98 0.86 0.00 0.00 177.93 179.67 3n4v n TYR 252 N -3.40 0.07 -1.82 2.45 4.19 -0.55 -4.85 117.16 113.25 3n4v n TYR 252 Ca 0.00 0.02 -0.07 0.00 3.31 0.00 0.00 57.90 61.16 3n4v n TYR 252 Cb 0.46 -0.37 -0.01 0.00 0.49 0.00 0.00 39.34 39.90 3n4v n TYR 252 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 3n4v n LYS 253 N -1.57 -0.56 -1.85 2.98 4.01 -0.95 -4.97 118.16 115.26 3n4v n LYS 253 Ca 0.06 0.50 -0.41 0.00 -0.51 0.00 0.00 58.31 57.95 3n4v n LYS 253 Cb 0.35 -4.38 -0.01 0.00 -0.51 0.00 0.00 35.03 30.48 3n4v n LYS 253 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3n4v s HIS 254 N -2.34 2.70 -0.89 2.13 2.46 -0.51 -4.89 115.29 113.95 3n4v s HIS 254 Ca 0.00 1.11 0.12 0.00 0.47 0.00 0.00 55.06 56.76 3n4v s HIS 254 Cb 0.00 -3.98 0.34 0.00 -0.13 0.00 0.00 32.58 28.81 3n4v s HIS 254 CO 0.00 -2.97 1.28 1.63 -2.47 0.00 0.00 174.74 172.22 3n4v n LYS 255 N 0.96 2.89 -2.76 2.88 4.76 -1.26 -4.73 118.16 120.89 3n4v n LYS 255 Ca 0.03 -2.15 -0.08 0.00 -2.87 0.00 0.00 58.31 53.23 3n4v n LYS 255 Cb 0.39 -1.34 0.05 0.00 -1.84 0.00 0.00 35.03 32.30 3n4v n LYS 255 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3n4v n ASP 256 N 0.46 -2.78 -0.26 4.39 2.03 -1.26 -5.01 116.55 114.12 3n4v n ASP 256 Ca 0.13 -3.35 -0.06 0.00 0.52 0.00 0.00 54.79 52.03 3n4v n ASP 256 Cb 0.48 1.81 0.05 0.00 -0.72 0.00 0.00 41.12 42.74 3n4v n ASP 256 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3n4v h ILE 257 N 2.98 1.23 -0.77 5.18 5.03 -1.99 -2.65 117.51 126.51 3n4v h ILE 257 Ca -0.14 -0.59 0.20 0.00 -0.12 0.00 0.00 64.86 64.21 3n4v h ILE 257 Cb 1.04 0.31 -0.04 0.00 -3.03 0.00 0.00 36.82 35.10 3n4v h ILE 257 CO 0.31 0.26 0.54 -0.65 -0.68 0.00 0.00 178.15 177.92 3n4v h PRO 258 N 0.99 0.13 -0.04 2.37 0.11 -1.99 0.85 132.00 134.42 3n4v h PRO 258 Ca 0.25 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 3n4v h PRO 258 Cb 0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3n4v h PRO 258 CO -0.04 0.09 -0.71 1.15 -0.21 0.00 0.00 178.00 178.28 3n4v h THR 259 N 0.14 1.43 -0.61 -1.15 2.02 -1.90 -1.63 112.91 111.20 3n4v h THR 259 Ca 0.38 -2.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.25 3n4v h THR 259 Cb 1.29 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 3n4v h THR 259 CO -0.06 0.65 0.05 0.58 0.37 0.00 0.00 175.52 177.12 3n4v h VAL 260 N 0.15 1.26 -0.20 3.16 2.07 -0.87 -1.90 116.25 119.93 3n4v h VAL 260 Ca -0.02 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 3n4v h VAL 260 Cb 1.26 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3n4v h VAL 260 CO 0.11 0.39 -0.39 0.25 0.02 0.00 0.00 177.57 177.95 3n4v h LEU 261 N 0.96 0.47 -0.29 2.57 6.46 -0.91 -0.10 115.31 124.48 3n4v h LEU 261 Ca 0.18 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 3n4v h LEU 261 Cb 0.48 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 3n4v h LEU 261 CO 0.02 0.82 0.06 -0.08 -0.62 0.00 0.00 178.44 178.65 3n4v h GLU 262 N 0.38 0.46 -0.81 1.25 4.81 -1.00 -0.85 114.58 118.82 3n4v h GLU 262 Ca 0.04 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3n4v h GLU 262 Cb 0.86 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 3n4v h GLU 262 CO 0.07 0.55 0.41 0.87 -0.73 0.00 0.00 179.01 180.18 3n4v h LYS 263 N 0.29 1.15 -0.42 1.92 1.57 -1.20 -1.03 116.57 118.85 3n4v h LYS 263 Ca 0.09 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3n4v h LYS 263 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3n4v h LYS 263 CO 0.00 0.88 0.23 -0.92 -0.57 0.00 0.00 179.45 179.07 3n4v h TYR 264 N 1.14 0.44 -0.57 -1.35 3.20 -0.77 0.42 116.97 119.48 3n4v h TYR 264 Ca 0.28 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3n4v h TYR 264 Cb 0.09 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3n4v h TYR 264 CO 0.01 0.25 0.12 0.00 -1.64 0.00 0.00 178.16 176.89 3n4v h ARG 265 N 0.47 0.90 -0.33 1.82 3.08 -0.83 -0.04 114.38 119.45 3n4v h ARG 265 Ca 0.17 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3n4v h ARG 265 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3n4v h ARG 265 CO -0.09 0.82 0.07 1.98 -1.07 0.00 0.00 179.97 181.67 3n4v h MET 266 N 0.86 0.54 -0.62 0.04 4.05 -0.87 -2.63 114.93 116.30 3n4v h MET 266 Ca 0.18 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3n4v h MET 266 Cb 0.34 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3n4v h MET 266 CO 0.00 0.61 0.29 -0.22 0.23 0.00 0.00 176.91 177.82 3n4v h LYS 267 N 0.37 0.88 -0.36 0.39 1.63 -0.44 0.04 116.57 119.07 3n4v h LYS 267 Ca 0.10 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3n4v h LYS 267 Cb 0.33 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3n4v h LYS 267 CO 0.00 0.69 0.18 1.49 -3.45 0.00 0.00 179.45 178.36 3n4v h GLU 268 N 0.88 0.52 -0.36 1.90 4.81 -0.86 -2.26 114.58 119.21 3n4v h GLU 268 Ca 0.22 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3n4v h GLU 268 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3n4v h GLU 268 CO -0.03 0.47 -0.08 0.87 -0.73 0.00 0.00 179.01 179.51 3n4v h LYS 269 N 0.45 0.60 0.00 1.92 1.57 -1.06 -3.19 116.57 116.87 3n4v h LYS 269 Ca 0.13 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3n4v h LYS 269 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3n4v h LYS 269 CO -0.02 0.68 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.62 3n4v h TYR 270 N 0.56 0.00 -0.68 -1.35 3.20 -0.45 -3.25 116.97 115.01 3n4v h TYR 270 Ca 0.11 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 3n4v h TYR 270 Cb 0.47 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3n4v h TYR 270 CO 0.02 0.00 0.45 2.35 -1.64 0.00 0.00 178.16 179.34 3n4v h TRP 271 N 0.00 0.60 -0.78 -3.82 -0.00 -1.43 -2.11 115.95 108.42 3n4v h TRP 271 Ca -0.00 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.93 3n4v h TRP 271 Cb 0.75 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.67 3n4v h TRP 271 CO 0.00 0.30 0.50 0.77 -0.00 0.00 0.00 178.44 180.00 3n4v h SER 272 N 0.58 0.83 0.86 2.65 0.02 -1.79 0.15 113.55 116.84 3n4v h SER 272 Ca 0.31 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3n4v h SER 272 Cb 0.44 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3n4v h SER 272 CO -0.10 0.58 -0.28 -0.26 -1.14 0.00 0.00 176.83 175.63 3n4v h PHE 273 N 0.98 0.00 -0.11 3.45 0.04 -1.63 -2.50 116.94 117.18 3n4v h PHE 273 Ca 0.31 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.99 3n4v h PHE 273 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3n4v h PHE 273 CO -0.03 0.28 -0.28 1.49 -0.60 0.00 0.00 178.31 179.17 3n4v h GLU 274 N 0.00 0.38 -0.01 1.51 4.57 -0.91 -2.73 114.58 117.39 3n4v h GLU 274 Ca -0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3n4v h GLU 274 Cb 0.78 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3n4v h GLU 274 CO 0.04 0.87 0.00 0.87 -1.18 0.00 0.00 179.01 179.62 3n4v h LYS 275 N -0.06 0.00 0.11 1.92 1.57 -0.57 0.23 116.57 119.77 3n4v h LYS 275 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3n4v h LYS 275 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3n4v h LYS 275 CO 0.06 0.00 -0.06 0.82 -0.57 0.00 0.00 179.45 179.70 3n4v h ILE 276 N 0.00 1.08 0.88 1.86 2.04 -1.43 0.21 117.51 122.16 3n4v h ILE 276 Ca 0.00 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3n4v h ILE 276 Cb 0.01 1.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3n4v h ILE 276 CO -0.00 0.24 -0.42 0.40 0.00 0.00 0.00 178.15 178.37 3n4v h ILE 277 N -0.68 0.00 -0.67 -0.67 2.04 -1.11 -1.80 117.51 114.62 3n4v h ILE 277 Ca -0.02 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3n4v h ILE 277 Cb 0.52 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3n4v h ILE 277 CO 0.03 0.00 0.44 1.88 0.00 0.00 0.00 178.15 180.50 3n4v h TYR 278 N -1.24 0.63 -0.17 1.37 0.05 -0.70 0.28 116.97 117.20 3n4v h TYR 278 Ca -0.12 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.72 3n4v h TYR 278 Cb 0.91 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.40 3n4v h TYR 278 CO 0.02 0.32 -0.09 0.78 -1.05 0.00 0.00 178.16 178.14 3n4v h GLY 279 N 0.61 0.06 1.37 3.88 0.00 -0.39 0.55 103.07 109.16 3n4v h GLY 279 Ca 0.30 0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.54 3n4v h GLY 279 CO -0.10 -0.10 -0.72 0.50 0.00 0.00 0.00 176.54 176.12 3n4v h LYS 280 N -0.07 0.62 0.57 4.80 1.79 -0.66 0.36 116.57 123.98 3n4v h LYS 280 Ca 0.09 -0.48 -0.03 0.00 -2.18 0.00 0.00 60.65 58.05 3n4v h LYS 280 Cb 0.21 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3n4v h LYS 280 CO -0.21 1.11 -0.27 0.93 -1.08 0.00 0.00 179.45 179.92 3n4v h GLU 281 N 0.44 -0.74 0.00 3.15 4.39 -0.12 -3.18 114.58 118.51 3n4v h GLU 281 Ca -0.03 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3n4v h GLU 281 Cb 1.31 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3n4v h GLU 281 CO 0.14 -0.45 -0.07 0.66 -1.16 0.00 0.00 179.01 178.13 3n4v n TYR 282 N -5.38 0.45 -2.38 4.33 4.01 0.19 -4.94 117.16 113.44 3n4v n TYR 282 Ca -0.12 0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 3n4v n TYR 282 Cb 0.33 -0.69 0.01 0.00 -0.31 0.00 0.00 39.34 38.67 3n4v n TYR 282 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n4v n GLY 283 N 1.40 0.44 3.35 2.72 0.00 -0.03 -4.87 105.19 108.21 3n4v n GLY 283 Ca 0.06 -0.62 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 3n4v n GLY 283 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n4v s TYR 284 N -2.62 3.95 0.64 1.61 2.02 0.11 -4.81 117.35 118.25 3n4v s TYR 284 Ca 0.05 -2.32 0.37 0.00 -0.37 0.00 0.00 57.07 54.81 3n4v s TYR 284 Cb -0.02 -3.90 2.06 0.00 -0.40 0.00 0.00 41.96 39.69 3n4v s TYR 284 CO 0.07 -1.04 2.23 0.52 -1.57 0.00 0.00 175.55 175.75 3n4v h MET 285 N 7.24 0.00 0.00 -0.62 2.86 -1.95 -0.74 114.93 121.72 3n4v h MET 285 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3n4v h MET 285 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3n4v h MET 285 CO 0.95 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 175.45 3n4v n ASP 286 N -3.31 0.00 -0.31 1.22 4.64 -1.26 -2.86 116.55 114.67 3n4v n ASP 286 Ca -0.02 0.83 -0.01 0.00 -1.38 0.00 0.00 54.79 54.21 3n4v n ASP 286 Cb 0.17 -0.33 0.11 0.00 -1.04 0.00 0.00 41.12 40.04 3n4v n ASP 286 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3n4v h TRP 287 N 0.00 1.03 -0.80 -0.67 4.06 -1.46 -3.05 115.95 115.06 3n4v h TRP 287 Ca 0.00 0.03 0.13 0.00 2.06 0.00 0.00 58.89 61.11 3n4v h TRP 287 Cb 0.00 -0.34 -0.09 0.00 -1.00 0.00 0.00 29.16 27.73 3n4v h TRP 287 CO -0.41 0.59 0.40 -0.92 -3.56 0.00 0.00 178.44 174.54 3n4v h TYR 288 N 1.07 0.71 0.00 0.49 3.20 -1.33 -0.56 116.97 120.55 3n4v h TYR 288 Ca 0.34 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 62.04 3n4v h TYR 288 Cb 0.01 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3n4v h TYR 288 CO -0.02 0.19 -1.04 1.05 -1.64 0.00 0.00 178.16 176.69 3n4v h GLU 289 N 0.60 0.00 0.43 1.82 4.11 -1.41 -2.45 114.58 117.69 3n4v h GLU 289 Ca 0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 3n4v h GLU 289 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3n4v h GLU 289 CO -0.34 0.79 -0.27 0.93 0.07 0.00 0.00 179.01 180.19 3n4v h GLU 290 N 0.00 -0.64 -0.85 1.06 5.08 -1.45 -0.02 114.58 117.77 3n4v h GLU 290 Ca -0.06 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 3n4v h GLU 290 Cb 1.73 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.96 3n4v h GLU 290 CO 0.11 -0.42 -0.12 0.41 -1.00 0.00 0.00 179.01 177.98 3n4v n GLY 291 N -1.34 -1.32 0.22 -3.84 0.00 -0.25 -0.71 105.19 97.94 3n4v n GLY 291 Ca -0.08 0.88 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 3n4v n GLY 291 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3n4v h LEU 292 N 0.00 0.80 -0.55 0.99 5.85 -1.32 -1.78 115.31 119.30 3n4v h LEU 292 Ca 0.45 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 3n4v h LEU 292 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3n4v h LEU 292 CO -0.84 1.26 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.29 3n4v h ASN 293 N 0.49 1.05 -0.44 1.25 -0.73 0.11 -1.07 115.58 116.24 3n4v h ASN 293 Ca -0.03 -0.35 -0.11 0.00 1.87 0.00 0.00 56.30 57.68 3n4v h ASN 293 Cb 1.29 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.58 3n4v h ASN 293 CO 0.14 1.15 -0.14 -0.33 -0.37 0.00 0.00 177.43 177.87 3n4v h GLU 294 N 0.92 0.92 -0.48 6.67 5.08 -0.87 -2.03 114.58 124.79 3n4v h GLU 294 Ca 0.14 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3n4v h GLU 294 Cb 0.68 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3n4v h GLU 294 CO 0.05 1.00 0.01 0.82 -1.00 0.00 0.00 179.01 179.89 3n4v h ILE 295 N 0.82 1.24 0.00 3.13 2.04 -1.17 -2.48 117.51 121.09 3n4v h ILE 295 Ca 0.12 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3n4v h ILE 295 Cb 0.68 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3n4v h ILE 295 CO 0.05 0.35 0.00 0.54 0.00 0.00 0.00 178.15 179.09 3n4v n ARG 296 N -4.22 0.25 -2.06 2.37 1.74 -0.42 -4.84 116.66 109.48 3n4v n ARG 296 Ca 0.03 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 3n4v n ARG 296 Cb 0.30 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.40 3n4v n ARG 296 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3n4v s SER 297 N -2.69 3.46 0.00 0.55 0.01 -0.81 -5.07 113.70 109.15 3n4v s SER 297 Ca 0.20 0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.71 3n4v s SER 297 Cb 0.16 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.12 3n4v s SER 297 CO 0.38 -2.50 0.73 0.00 0.41 0.00 0.00 173.24 172.26