#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i16 s LEU 2 N 0.00 2.42 0.29 0.99 1.43 -1.26 -5.14 118.68 117.40 3i16 s LEU 2 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3i16 s LEU 2 Cb 0.00 -0.94 0.42 0.00 0.03 0.00 0.00 46.19 45.70 3i16 s LEU 2 CO 0.00 0.03 1.79 -0.08 0.23 0.00 0.00 176.35 178.32 3i16 h GLU 3 N 3.36 0.67 -0.84 1.70 4.57 -2.05 -1.75 114.58 120.25 3i16 h GLU 3 Ca -0.44 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 57.57 3i16 h GLU 3 Cb 1.20 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 3i16 h GLU 3 CO 0.48 0.71 0.55 0.66 -1.18 0.00 0.00 179.01 180.23 3i16 h SER 4 N 0.63 0.97 -0.37 1.04 4.64 -2.01 -1.05 113.55 117.40 3i16 h SER 4 Ca 0.12 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3i16 h SER 4 Cb 0.44 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3i16 h SER 4 CO 0.02 0.71 0.11 0.74 -0.87 0.00 0.00 176.83 177.54 3i16 h THR 5 N 1.14 1.21 -0.29 2.95 2.02 -1.85 -1.00 112.91 117.09 3i16 h THR 5 Ca 0.31 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3i16 h THR 5 Cb -0.12 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3i16 h THR 5 CO -0.06 0.24 0.09 0.11 0.37 0.00 0.00 175.52 176.28 3i16 h LYS 6 N 0.45 0.22 -0.63 6.66 1.57 -1.02 0.25 116.57 124.06 3i16 h LYS 6 Ca 0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3i16 h LYS 6 Cb 0.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3i16 h LYS 6 CO -0.00 0.14 0.23 1.96 -0.57 0.00 0.00 179.45 181.21 3i16 h GLN 7 N 0.22 0.94 -0.25 3.15 1.08 -1.08 -1.30 115.11 117.87 3i16 h GLN 7 Ca 0.13 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3i16 h GLN 7 Cb 0.11 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3i16 h GLN 7 CO -0.14 0.78 0.08 0.35 -0.95 0.00 0.00 178.83 178.95 3i16 h PHE 8 N 0.92 0.41 0.00 2.96 3.04 -0.49 -2.77 116.94 121.01 3i16 h PHE 8 Ca 0.21 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 3i16 h PHE 8 Cb 0.21 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 3i16 h PHE 8 CO 0.02 0.46 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.57 3i16 h LEU 9 N 0.24 0.00 -1.69 0.59 3.38 -0.03 -1.84 115.31 115.96 3i16 h LEU 9 Ca 0.08 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3i16 h LEU 9 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i16 h LEU 9 CO -0.00 0.13 0.30 0.11 0.09 0.00 0.00 178.44 179.06 3i16 h LYS 10 N 0.00 0.38 0.00 1.13 1.79 -0.95 0.74 116.57 119.65 3i16 h LYS 10 Ca -0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3i16 h LYS 10 Cb 0.25 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3i16 h LYS 10 CO 0.02 0.25 0.00 0.87 -1.08 0.00 0.00 179.45 179.51 3i16 h LYS 11 N 0.39 0.00 -0.65 3.15 6.56 -1.37 -0.75 116.57 123.90 3i16 h LYS 11 Ca 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 3i16 h LYS 11 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3i16 h LYS 11 CO -0.05 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.00 3i16 n TYR 12 N -3.05 1.58 -2.05 -1.35 4.02 0.23 -4.92 117.16 111.62 3i16 n TYR 12 Ca -0.01 -0.56 -0.18 0.00 -0.01 0.00 0.00 57.90 57.14 3i16 n TYR 12 Cb 0.20 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 3i16 n TYR 12 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i16 n ASN 13 N 0.61 -5.16 -4.69 7.72 5.03 -0.29 -4.90 115.26 113.58 3i16 n ASN 13 Ca 0.22 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.39 3i16 n ASN 13 Cb 0.96 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.46 3i16 n ASN 13 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i16 s ILE 14 N -2.81 4.70 0.40 2.41 1.01 -1.08 -4.83 121.20 121.00 3i16 s ILE 14 Ca 0.00 1.97 0.08 0.00 0.00 0.00 0.00 60.65 62.70 3i16 s ILE 14 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 3i16 s ILE 14 CO 0.00 -0.00 0.46 0.54 0.00 0.00 0.00 174.94 175.94 3i16 s ASN 15 N 1.16 5.45 0.42 3.58 2.20 -1.26 -4.29 114.94 122.21 3i16 s ASN 15 Ca 0.49 -0.51 0.14 0.00 -0.94 0.00 0.00 52.86 52.05 3i16 s ASN 15 Cb -0.19 -0.74 0.91 0.00 -2.00 0.00 0.00 41.25 39.23 3i16 s ASN 15 CO 0.18 -0.63 1.93 0.44 -2.94 0.00 0.00 177.10 176.07 3i16 h ASP 16 N 0.87 0.00 -0.22 3.54 3.32 -1.95 -1.95 116.42 120.03 3i16 h ASP 16 Ca -0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3i16 h ASP 16 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3i16 h ASP 16 CO 0.52 0.26 0.05 0.03 -1.72 0.00 0.00 179.24 178.38 3i16 h ARG 17 N 0.00 0.36 -0.77 3.56 -0.00 -1.94 -0.70 114.38 114.90 3i16 h ARG 17 Ca -0.00 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.98 59.34 3i16 h ARG 17 Cb 0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.36 3i16 h ARG 17 CO 0.03 0.48 0.28 0.28 0.00 0.00 0.00 179.97 181.05 3i16 h VAL 18 N 0.18 1.26 -0.46 2.04 2.07 -1.79 -2.16 116.25 117.40 3i16 h VAL 18 Ca 0.07 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3i16 h VAL 18 Cb 0.28 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3i16 h VAL 18 CO 0.00 0.34 0.03 -0.07 0.02 0.00 0.00 177.57 177.89 3i16 h LEU 19 N 1.12 0.70 -0.52 2.57 3.38 -1.11 -1.03 115.31 120.42 3i16 h LEU 19 Ca 0.25 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3i16 h LEU 19 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3i16 h LEU 19 CO -0.02 0.75 -0.08 0.11 0.09 0.00 0.00 178.44 179.30 3i16 h LYS 20 N 0.70 0.98 -0.71 1.13 1.79 -0.78 -1.06 116.57 118.62 3i16 h LYS 20 Ca 0.14 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 3i16 h LYS 20 Cb 0.39 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3i16 h LYS 20 CO 0.01 1.02 0.27 -0.07 -1.08 0.00 0.00 179.45 179.60 3i16 h LEU 21 N 0.84 0.99 -0.08 2.94 3.38 -1.12 -2.24 115.31 120.02 3i16 h LEU 21 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i16 h LEU 21 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3i16 h LEU 21 CO 0.04 0.90 0.05 0.22 0.09 0.00 0.00 178.44 179.74 3i16 h TYR 22 N 1.02 0.09 -0.46 1.13 3.20 -0.99 -0.31 116.97 120.65 3i16 h TYR 22 Ca 0.23 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.16 3i16 h TYR 22 Cb 0.24 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3i16 h TYR 22 CO 0.02 0.05 0.18 0.93 -1.64 0.00 0.00 178.16 177.70 3i16 h GLU 23 N 0.10 0.35 -0.25 1.82 3.07 -0.99 -2.46 114.58 116.21 3i16 h GLU 23 Ca 0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3i16 h GLU 23 Cb -0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3i16 h GLU 23 CO -0.01 0.23 0.11 1.15 -1.40 0.00 0.00 179.01 179.09 3i16 h THR 24 N 0.36 1.16 0.00 1.13 2.02 -1.24 -2.26 112.91 114.08 3i16 h THR 24 Ca 0.21 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3i16 h THR 24 Cb 0.20 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3i16 h THR 24 CO -0.20 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.85 3i16 n ALA 25 N -2.25 1.21 0.00 6.16 0.00 -0.14 -1.37 120.51 124.13 3i16 n ALA 25 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i16 n ALA 25 Cb 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i16 n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i16 n ASN 27 N 0.76 0.00 0.15 0.00 5.15 -0.85 -1.30 115.26 119.17 3i16 n ASN 27 Ca 0.00 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.00 3i16 n ASN 27 Cb 0.00 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 39.64 3i16 n ASN 27 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3i16 h ASP 28 N 0.00 0.12 -0.54 1.20 3.32 -1.50 -3.24 116.42 115.78 3i16 h ASP 28 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3i16 h ASP 28 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3i16 h ASP 28 CO 0.00 0.37 0.00 2.30 -1.72 0.00 0.00 179.24 180.19 3i16 n ILE 29 N -4.21 0.72 -0.08 0.35 -5.35 -0.42 -4.59 119.36 105.78 3i16 n ILE 29 Ca -0.01 -0.82 -0.06 0.00 -0.27 0.00 0.00 62.75 61.59 3i16 n ILE 29 Cb 0.32 0.65 0.13 0.00 -1.74 0.00 0.00 39.64 39.00 3i16 n ILE 29 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3i16 h GLN 30 N 4.09 0.74 -0.29 6.28 1.08 -1.84 -2.63 115.11 122.53 3i16 h GLN 30 Ca 0.00 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 56.87 3i16 h GLN 30 Cb 0.92 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 3i16 h GLN 30 CO 0.00 0.85 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.73 3i16 h ASN 31 N 0.66 0.47 -0.13 1.46 2.35 -1.86 -2.28 115.58 116.24 3i16 h ASN 31 Ca 0.11 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 3i16 h ASN 31 Cb 0.63 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3i16 h ASN 31 CO 0.04 0.60 -0.36 1.56 -1.65 0.00 0.00 177.43 177.63 3i16 h GLN 32 N 0.45 0.65 -0.73 0.81 7.50 -1.82 -2.42 115.11 119.54 3i16 h GLN 32 Ca 0.09 -0.31 -0.05 0.00 0.50 0.00 0.00 58.65 58.87 3i16 h GLN 32 Cb 0.45 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 3i16 h GLN 32 CO 0.02 0.91 0.25 0.74 -1.50 0.00 0.00 178.83 179.25 3i16 h PHE 33 N 0.54 1.14 -0.62 2.96 -1.00 -1.10 -1.93 116.94 116.94 3i16 h PHE 33 Ca 0.05 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 3i16 h PHE 33 Cb 0.87 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 3i16 h PHE 33 CO 0.04 0.89 0.24 0.87 -1.61 0.00 0.00 178.31 178.74 3i16 h LYS 34 N 1.08 0.91 -0.36 1.51 1.57 -1.18 -0.74 116.57 119.36 3i16 h LYS 34 Ca 0.24 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3i16 h LYS 34 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3i16 h LYS 34 CO -0.01 0.75 0.14 0.82 -0.57 0.00 0.00 179.45 180.58 3i16 h ILE 35 N 0.90 1.19 -0.93 1.86 2.04 -0.94 -2.62 117.51 119.02 3i16 h ILE 35 Ca 0.21 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3i16 h ILE 35 Cb 0.19 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3i16 h ILE 35 CO -0.02 0.21 0.58 -0.07 0.00 0.00 0.00 178.15 178.85 3i16 h LEU 36 N 0.43 1.10 -1.64 1.44 3.38 -0.95 -2.62 115.31 116.46 3i16 h LEU 36 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3i16 h LEU 36 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3i16 h LEU 36 CO -0.01 0.83 0.06 0.44 0.09 0.00 0.00 178.44 179.85 3i16 h ASP 37 N 1.27 0.26 0.15 -0.43 3.32 -0.80 0.97 116.42 121.15 3i16 h ASP 37 Ca 0.33 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.20 3i16 h ASP 37 Cb -0.09 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3i16 h ASP 37 CO -0.07 0.26 -0.62 0.44 -1.72 0.00 0.00 179.24 177.54 3i16 h ASP 38 N 0.29 0.53 -0.15 6.45 3.32 -1.12 -1.78 116.42 123.97 3i16 h ASP 38 Ca 0.07 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3i16 h ASP 38 Cb 0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3i16 h ASP 38 CO -0.00 1.02 -0.41 0.40 -1.72 0.00 0.00 179.24 178.52 3i16 h ILE 39 N 0.34 1.35 -0.87 0.35 2.04 -1.26 -3.07 117.51 116.39 3i16 h ILE 39 Ca -0.01 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.18 3i16 h ILE 39 Cb 1.17 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.22 3i16 h ILE 39 CO 0.11 0.51 0.58 -0.09 0.00 0.00 0.00 178.15 179.26 3i16 h ARG 40 N 0.19 1.14 -0.19 2.37 2.43 -0.76 -0.89 114.38 118.66 3i16 h ARG 40 Ca -0.01 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3i16 h ARG 40 Cb 1.03 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3i16 h ARG 40 CO 0.09 0.76 0.11 1.49 -1.51 0.00 0.00 179.97 180.91 3i16 h GLU 41 N 1.18 0.23 0.15 0.20 4.81 -1.35 0.37 114.58 120.17 3i16 h GLU 41 Ca 0.32 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3i16 h GLU 41 Cb -0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3i16 h GLU 41 CO -0.07 0.15 -0.07 0.35 -0.73 0.00 0.00 179.01 178.64 3i16 h PHE 42 N 0.24 -0.18 -0.66 0.92 3.57 -1.36 -2.52 116.94 116.94 3i16 h PHE 42 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3i16 h PHE 42 Cb -0.01 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3i16 h PHE 42 CO -0.08 -0.09 0.44 -0.91 -2.23 0.00 0.00 178.31 175.44 3i16 h ASN 43 N -0.22 0.73 -0.71 0.41 2.35 -1.00 -0.35 115.58 116.78 3i16 h ASN 43 Ca -0.02 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3i16 h ASN 43 Cb 0.17 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3i16 h ASN 43 CO 0.03 0.52 0.47 -0.61 -1.65 0.00 0.00 177.43 176.20 3i16 h GLN 44 N 0.86 0.93 -0.30 0.81 5.75 -0.69 -1.31 115.11 121.16 3i16 h GLN 44 Ca 0.25 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3i16 h GLN 44 Cb -0.05 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 3i16 h GLN 44 CO -0.06 0.61 0.06 1.25 -2.65 0.00 0.00 178.83 178.05 3i16 h LEU 45 N 0.96 0.47 -0.53 -2.39 5.85 -0.88 -1.50 115.31 117.29 3i16 h LEU 45 Ca 0.26 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3i16 h LEU 45 Cb -0.10 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 3i16 h LEU 45 CO -0.06 0.60 0.25 0.50 -0.34 0.00 0.00 178.44 179.38 3i16 h LYS 46 N 0.33 0.46 -0.42 1.25 3.64 -0.81 0.36 116.57 121.38 3i16 h LYS 46 Ca 0.09 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 3i16 h LYS 46 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3i16 h LYS 46 CO 0.00 0.30 -0.32 0.28 -2.27 0.00 0.00 179.45 177.45 3i16 h VAL 47 N 0.47 1.27 -0.26 2.00 2.07 -1.17 -1.93 116.25 118.70 3i16 h VAL 47 Ca 0.24 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3i16 h VAL 47 Cb 0.19 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3i16 h VAL 47 CO -0.19 0.50 0.15 0.25 0.02 0.00 0.00 177.57 178.30 3i16 h LEU 48 N 0.80 0.32 -1.00 2.57 5.85 -0.82 -2.28 115.31 120.76 3i16 h LEU 48 Ca 0.08 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3i16 h LEU 48 Cb 0.91 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3i16 h LEU 48 CO 0.08 0.30 0.65 -1.13 -0.34 0.00 0.00 178.44 178.01 3i16 h ASN 49 N 0.32 1.10 -0.91 1.25 -0.73 -0.88 -1.39 115.58 114.34 3i16 h ASN 49 Ca 0.09 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.25 3i16 h ASN 49 Cb 0.04 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.33 3i16 h ASN 49 CO -0.02 0.77 0.56 0.00 -0.37 0.00 0.00 177.43 178.38 3i16 h ALA 50 N 1.39 1.16 -0.48 1.57 0.00 -0.81 0.44 119.26 122.54 3i16 h ALA 50 Ca 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3i16 h ALA 50 Cb -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3i16 h ALA 50 CO -0.11 0.61 0.19 0.74 0.00 0.00 0.00 179.25 180.67 3i16 h PHE 51 N 1.25 0.73 -0.15 0.00 -1.00 -0.98 -2.59 116.94 114.20 3i16 h PHE 51 Ca 0.33 -0.06 -0.15 0.00 2.81 0.00 0.00 57.97 60.90 3i16 h PHE 51 Cb -0.07 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.27 3i16 h PHE 51 CO 0.00 0.62 -0.50 1.96 -1.61 0.00 0.00 178.31 178.78 3i16 h GLN 52 N 0.63 0.61 -0.33 1.51 4.20 -0.86 -2.07 115.11 118.80 3i16 h GLN 52 Ca 0.16 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.43 3i16 h GLN 52 Cb 0.20 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3i16 h GLN 52 CO -0.01 1.07 0.22 0.93 -0.67 0.00 0.00 178.83 180.37 3i16 h GLU 53 N 0.27 0.37 -0.07 1.46 4.39 -0.95 -0.76 114.58 119.30 3i16 h GLU 53 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i16 h GLU 53 Cb 1.13 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3i16 h GLU 53 CO 0.11 0.25 0.00 0.39 -1.16 0.00 0.00 179.01 178.59 3i16 n GLU 54 N -4.49 1.47 -3.93 2.33 -0.58 -0.98 -4.94 120.64 109.53 3i16 n GLU 54 Ca 0.02 -0.70 -0.26 0.00 -0.42 0.00 0.00 57.16 55.80 3i16 n GLU 54 Cb 0.11 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 3i16 n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i16 n ARG 55 N -0.11 -3.80 -1.99 3.49 1.74 -0.29 -4.88 116.66 110.81 3i16 n ARG 55 Ca 0.18 0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 3i16 n ARG 55 Cb 0.26 -4.80 -0.02 0.00 -1.02 0.00 0.00 32.46 26.88 3i16 n ARG 55 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i16 s ILE 56 N -3.78 2.50 0.25 0.55 -1.09 -0.89 -5.00 121.20 113.75 3i16 s ILE 56 Ca 0.13 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.05 3i16 s ILE 56 Cb -0.07 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3i16 s ILE 56 CO 0.87 0.10 0.19 -0.94 -1.23 0.00 0.00 174.94 173.94 3i16 s SER 57 N -0.13 0.71 0.44 3.58 1.04 -1.26 -4.97 113.70 113.11 3i16 s SER 57 Ca 0.53 -1.52 0.15 0.00 0.48 0.00 0.00 55.95 55.59 3i16 s SER 57 Cb -0.42 0.45 1.06 0.00 0.10 0.00 0.00 66.02 67.21 3i16 s SER 57 CO 0.53 -0.93 1.98 -0.33 0.98 0.00 0.00 173.24 175.46 3i16 h GLU 58 N 2.43 0.37 -0.12 4.02 3.07 -2.01 -0.97 114.58 121.37 3i16 h GLU 58 Ca -0.32 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.56 3i16 h GLU 58 Cb 1.24 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3i16 h GLU 58 CO 0.47 0.24 0.10 0.00 -1.40 0.00 0.00 179.01 178.42 3i16 h ALA 59 N 1.70 1.97 0.00 3.43 0.00 -1.98 -0.27 119.26 124.10 3i16 h ALA 59 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i16 h ALA 59 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i16 h ALA 59 CO -0.08 -0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.73 3i16 n HIS 60 N -4.26 0.68 -1.38 0.00 -0.00 -0.37 -3.67 115.22 106.22 3i16 n HIS 60 Ca -0.00 0.27 -0.24 0.00 -0.00 0.00 0.00 57.72 57.75 3i16 n HIS 60 Cb 0.22 -0.94 -0.09 0.00 -0.00 0.00 0.00 29.99 29.19 3i16 n HIS 60 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3i16 n PHE 61 N -2.12 1.24 -1.74 4.41 3.72 -0.11 -4.03 117.46 118.83 3i16 n PHE 61 Ca 0.02 -1.95 -0.40 0.00 -0.05 0.00 0.00 57.45 55.07 3i16 n PHE 61 Cb 0.21 -1.55 0.01 0.00 -0.94 0.00 0.00 39.48 37.21 3i16 n PHE 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3i16 n THR 62 N 1.61 2.67 -2.75 4.37 -2.24 -1.24 -4.90 114.28 111.79 3i16 n THR 62 Ca 0.50 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3i16 n THR 62 Cb 0.62 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 3i16 n THR 62 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i16 s ASN 63 N -0.49 7.13 -0.09 3.42 4.22 -1.26 -4.78 114.94 123.10 3i16 s ASN 63 Ca 0.61 1.40 -0.00 0.00 -2.14 0.00 0.00 52.86 52.72 3i16 s ASN 63 Cb -0.48 -2.52 0.02 0.00 1.28 0.00 0.00 41.25 39.56 3i16 s ASN 63 CO 0.58 -0.47 -0.05 -0.55 -2.04 0.00 0.00 177.10 174.58 3i16 s SER 64 N 1.13 1.86 0.31 3.54 0.15 -1.26 -5.09 113.70 114.33 3i16 s SER 64 Ca 0.45 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.91 3i16 s SER 64 Cb -0.17 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 3i16 s SER 64 CO 0.14 -0.13 0.13 -0.94 1.20 0.00 0.00 173.24 173.64 3i16 s SER 65 N 1.69 1.73 1.03 5.45 1.04 -1.26 -4.26 113.70 119.12 3i16 s SER 65 Ca 0.03 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.93 3i16 s SER 65 Cb -0.13 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3i16 s SER 65 CO -0.06 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3i16 n GLY 66 N -0.62 3.03 0.27 7.32 0.00 -1.26 -2.12 105.19 111.80 3i16 n GLY 66 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3i16 n GLY 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i16 h TYR 67 N 0.00 0.28 -1.35 1.61 0.99 -1.98 -3.31 116.97 113.20 3i16 h TYR 67 Ca 0.00 -0.01 -0.22 0.00 2.00 0.00 0.00 58.73 60.50 3i16 h TYR 67 Cb 0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 3i16 h TYR 67 CO 0.00 0.26 -0.26 0.41 -0.00 0.00 0.00 178.16 178.57 3i16 n GLY 68 N -1.24 0.16 3.70 3.88 0.00 -0.90 0.16 105.19 110.94 3i16 n GLY 68 Ca -0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3i16 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i16 s TYR 69 N -2.51 2.50 -0.99 1.61 4.12 -1.26 -2.67 117.35 118.15 3i16 s TYR 69 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 57.07 57.38 3i16 s TYR 69 Cb 0.00 -4.02 0.00 0.00 -1.52 0.00 0.00 41.96 36.42 3i16 s TYR 69 CO 0.00 -4.06 0.00 0.41 0.02 0.00 0.00 175.55 171.92 3i16 n GLY 70 N 4.01 0.05 3.58 0.71 0.00 -1.26 -4.96 105.19 107.32 3i16 n GLY 70 Ca 0.16 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3i16 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i16 s ASP 71 N -2.53 6.04 0.34 1.61 -1.08 -1.09 -4.87 116.67 115.08 3i16 s ASP 71 Ca 0.00 0.56 0.11 0.00 -0.52 0.00 0.00 52.55 52.70 3i16 s ASP 71 Cb 0.00 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 3i16 s ASP 71 CO 0.00 -1.73 1.77 0.16 0.52 0.00 0.00 175.17 175.90 3i16 h ILE 72 N 6.52 1.30 -0.10 4.11 3.07 -1.92 -0.82 117.51 129.67 3i16 h ILE 72 Ca -0.28 -1.43 0.03 0.00 1.55 0.00 0.00 64.86 64.73 3i16 h ILE 72 Cb 1.11 1.74 -0.04 0.00 -0.27 0.00 0.00 36.82 39.36 3i16 h ILE 72 CO 1.14 0.41 -0.11 1.23 -1.05 0.00 0.00 178.15 179.77 3i16 h GLY 73 N 1.23 -0.05 0.57 0.16 0.00 -1.89 0.30 103.07 103.40 3i16 h GLY 73 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3i16 h GLY 73 CO 0.06 -0.12 -0.07 -0.09 0.00 0.00 0.00 176.54 176.31 3i16 h ARG 74 N -0.15 0.14 -0.33 4.80 2.43 -1.82 -2.56 114.38 116.89 3i16 h ARG 74 Ca 0.08 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i16 h ARG 74 Cb 0.26 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3i16 h ARG 74 CO -0.19 0.63 0.20 -0.44 -1.51 0.00 0.00 179.97 178.66 3i16 h ASP 75 N -0.34 0.39 0.13 -3.80 3.32 -1.07 -2.25 116.42 112.81 3i16 h ASP 75 Ca 0.01 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3i16 h ASP 75 Cb 0.61 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3i16 h ASP 75 CO 0.02 0.33 -0.31 0.28 -1.72 0.00 0.00 179.24 177.83 3i16 h SER 76 N 0.43 0.29 -0.64 6.45 0.02 -1.01 -2.24 113.55 116.84 3i16 h SER 76 Ca 0.12 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3i16 h SER 76 Cb 0.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3i16 h SER 76 CO -0.02 0.60 0.10 0.25 -1.14 0.00 0.00 176.83 176.62 3i16 h LEU 77 N 0.25 1.03 -0.53 5.07 5.85 -1.20 0.29 115.31 126.07 3i16 h LEU 77 Ca 0.03 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3i16 h LEU 77 Cb 0.69 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3i16 h LEU 77 CO 0.05 1.03 0.34 0.44 -0.34 0.00 0.00 178.44 179.95 3i16 h ASP 78 N 1.01 0.63 -0.37 1.25 3.32 -1.10 -1.94 116.42 119.22 3i16 h ASP 78 Ca 0.20 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3i16 h ASP 78 Cb 0.44 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3i16 h ASP 78 CO 0.01 0.48 0.07 0.00 -1.72 0.00 0.00 179.24 178.09 3i16 h ALA 79 N 1.17 1.30 0.01 3.45 0.00 -0.96 -0.74 119.26 123.49 3i16 h ALA 79 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i16 h ALA 79 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i16 h ALA 79 CO -0.04 0.49 -0.00 0.28 0.00 0.00 0.00 179.25 179.98 3i16 h VAL 80 N 0.66 1.17 -0.77 0.00 2.07 -0.61 -1.59 116.25 117.19 3i16 h VAL 80 Ca 0.14 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3i16 h VAL 80 Cb 0.30 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3i16 h VAL 80 CO 0.00 0.14 0.47 1.88 0.02 0.00 0.00 177.57 180.08 3i16 h TYR 81 N -0.25 0.87 -0.82 1.57 -1.99 -1.21 -0.55 116.97 114.59 3i16 h TYR 81 Ca -0.00 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.79 3i16 h TYR 81 Cb 0.24 -0.28 -0.05 0.00 2.00 0.00 0.00 36.73 38.64 3i16 h TYR 81 CO 0.00 0.45 0.52 0.00 -0.00 0.00 0.00 178.16 179.14 3i16 h ALA 82 N 1.36 1.09 -0.22 3.88 0.00 -0.99 -0.82 119.26 123.56 3i16 h ALA 82 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3i16 h ALA 82 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i16 h ALA 82 CO -0.16 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.47 3i16 h ARG 83 N 1.01 0.36 -0.40 0.00 3.08 -0.48 0.24 114.38 118.19 3i16 h ARG 83 Ca 0.33 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.33 3i16 h ARG 83 Cb 0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3i16 h ARG 83 CO -0.12 0.50 0.17 0.28 -1.07 0.00 0.00 179.97 179.72 3i16 h VAL 84 N 0.17 0.93 -0.01 2.04 2.07 -0.81 -2.46 116.25 118.18 3i16 h VAL 84 Ca 0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3i16 h VAL 84 Cb 0.31 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3i16 h VAL 84 CO 0.00 0.06 -0.09 0.49 0.02 0.00 0.00 177.57 178.06 3i16 n PHE 85 N -4.97 0.00 -3.58 1.57 3.72 -0.34 -4.95 117.46 108.91 3i16 n PHE 85 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 3i16 n PHE 85 Cb 0.12 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.64 3i16 n PHE 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i16 n ASN 86 N -0.54 -2.63 -4.61 4.37 3.02 0.64 -4.38 115.26 111.13 3i16 n ASN 86 Ca 0.17 -0.68 -0.24 0.00 -0.03 0.00 0.00 54.58 53.79 3i16 n ASN 86 Cb 0.29 -4.67 -0.09 0.00 -0.61 0.00 0.00 39.78 34.70 3i16 n ASN 86 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i16 s THR 87 N -3.45 2.67 0.19 3.41 -4.23 -0.06 -4.86 115.64 109.30 3i16 s THR 87 Ca 0.14 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 3i16 s THR 87 Cb -0.07 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 71.12 3i16 s THR 87 CO 0.76 -0.23 1.70 -0.33 -0.54 0.00 0.00 174.62 175.98 3i16 h GLU 88 N 1.87 1.07 -4.27 3.99 5.08 -1.81 -3.42 114.58 117.08 3i16 h GLU 88 Ca -0.43 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 57.46 3i16 h GLU 88 Cb 1.25 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 3i16 h GLU 88 CO 0.66 0.96 -0.40 -1.12 -1.00 0.00 0.00 179.01 178.11 3i16 s SER 89 N -6.40 0.30 0.14 1.42 0.01 -0.36 -4.85 113.70 103.96 3i16 s SER 89 Ca -0.12 -1.29 -0.15 0.00 1.31 0.00 0.00 55.95 55.69 3i16 s SER 89 Cb 0.14 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.89 3i16 s SER 89 CO 0.84 -1.01 0.40 0.00 0.41 0.00 0.00 173.24 173.88 3i16 s ALA 90 N -3.92 -0.79 -0.29 1.44 0.00 -1.26 -1.43 121.76 115.51 3i16 s ALA 90 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 3i16 s ALA 90 Cb 0.03 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.99 3i16 s ALA 90 CO 0.13 -0.67 0.19 -1.17 0.00 0.00 0.00 175.76 174.25 3i16 s LEU 91 N -2.84 0.22 -0.20 0.00 2.96 0.23 -4.86 118.68 114.19 3i16 s LEU 91 Ca 0.06 -1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 52.91 3i16 s LEU 91 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 46.19 46.72 3i16 s LEU 91 CO -0.09 -0.42 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.72 3i16 s VAL 92 N 2.21 2.68 -0.09 1.68 1.01 -1.26 -1.13 120.40 125.49 3i16 s VAL 92 Ca 0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3i16 s VAL 92 Cb -0.15 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3i16 s VAL 92 CO -0.34 0.45 0.23 -0.13 0.00 0.00 0.00 175.10 175.31 3i16 s ARG 93 N 1.37 0.27 0.05 2.72 1.81 -0.78 -4.88 118.95 119.50 3i16 s ARG 93 Ca 0.05 0.33 0.21 0.00 -1.72 0.00 0.00 55.73 54.59 3i16 s ARG 93 Cb -0.14 0.13 0.87 0.00 -0.45 0.00 0.00 34.95 35.36 3i16 s ARG 93 CO -0.08 -0.03 1.67 -0.35 -0.68 0.00 0.00 175.30 175.82 3i16 n PRO 94 N 2.97 0.04 0.25 3.54 -0.04 -1.26 -1.69 135.00 138.81 3i16 n PRO 94 Ca -0.13 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 3i16 n PRO 94 Cb 0.58 -1.57 0.59 0.00 -0.04 0.00 0.00 33.50 33.06 3i16 n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i16 h HIS 95 N 0.00 0.00 -2.75 0.54 3.86 -1.93 -3.33 115.15 111.54 3i16 h HIS 95 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3i16 h HIS 95 Cb 0.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3i16 h HIS 95 CO 0.00 0.13 1.00 -0.06 0.86 0.00 0.00 177.93 179.86 3i16 s PHE 96 N -3.74 2.37 -0.08 2.45 0.08 -1.23 -4.89 117.98 112.95 3i16 s PHE 96 Ca 0.00 0.54 0.28 0.00 0.12 0.00 0.00 56.93 57.88 3i16 s PHE 96 Cb 0.10 -3.74 0.92 0.00 -0.57 0.00 0.00 43.02 39.73 3i16 s PHE 96 CO 0.59 -2.94 1.82 -0.39 -0.10 0.00 0.00 175.22 174.20 3i16 h VAL 97 N 5.49 0.12 -2.48 -0.44 -1.51 -1.90 -2.90 116.25 112.63 3i16 h VAL 97 Ca -0.34 -0.83 0.21 0.00 -1.23 0.00 0.00 66.70 64.50 3i16 h VAL 97 Cb 1.15 1.74 -0.04 0.00 -2.13 0.00 0.00 31.29 32.02 3i16 h VAL 97 CO 0.96 0.05 0.67 0.54 -1.23 0.00 0.00 177.57 178.56 3i16 s ASN 98 N -5.96 0.02 0.25 4.19 2.20 -1.26 -4.73 114.94 109.64 3i16 s ASN 98 Ca 0.03 -0.58 -0.05 0.00 -0.94 0.00 0.00 52.86 51.32 3i16 s ASN 98 Cb 0.08 0.42 0.29 0.00 -2.00 0.00 0.00 41.25 40.04 3i16 s ASN 98 CO 0.61 -0.83 1.84 1.23 -2.94 0.00 0.00 177.10 177.01 3i16 h GLY 99 N 2.00 1.16 1.58 0.45 0.00 -1.85 -2.68 103.07 103.74 3i16 h GLY 99 Ca -0.26 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 3i16 h GLY 99 CO 0.36 0.55 0.26 -0.84 0.00 0.00 0.00 176.54 176.87 3i16 h THR 100 N 1.07 1.12 -0.28 4.70 2.02 -1.96 -1.44 112.91 118.14 3i16 h THR 100 Ca 0.26 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3i16 h THR 100 Cb 0.14 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3i16 h THR 100 CO -0.03 0.12 -0.07 -0.74 0.37 0.00 0.00 175.52 175.17 3i16 h HIS 101 N 0.57 0.60 -0.46 3.16 6.17 -1.88 -0.23 115.15 123.08 3i16 h HIS 101 Ca 0.15 -0.13 0.01 0.00 0.71 0.00 0.00 60.37 61.12 3i16 h HIS 101 Cb -0.03 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 29.72 3i16 h HIS 101 CO 0.00 0.74 0.29 0.00 0.71 0.00 0.00 177.93 179.67 3i16 h ALA 102 N 0.77 0.59 -0.24 5.26 0.00 -1.25 0.14 119.26 124.53 3i16 h ALA 102 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i16 h ALA 102 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i16 h ALA 102 CO 0.03 -0.01 0.03 -0.07 0.00 0.00 0.00 179.25 179.22 3i16 h LEU 103 N 0.58 0.40 -1.07 0.00 3.38 -1.20 -2.09 115.31 115.31 3i16 h LEU 103 Ca 0.18 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3i16 h LEU 103 Cb -0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3i16 h LEU 103 CO -0.06 0.58 0.61 1.23 0.09 0.00 0.00 178.44 180.89 3i16 h GLY 104 N 0.21 1.32 1.27 0.83 0.00 -0.86 -1.49 103.07 104.35 3i16 h GLY 104 Ca 0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3i16 h GLY 104 CO 0.01 0.49 0.24 0.00 0.00 0.00 0.00 176.54 177.28 3i16 h ALA 105 N 1.40 1.23 -0.42 3.60 0.00 -0.48 -0.71 119.26 123.87 3i16 h ALA 105 Ca 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3i16 h ALA 105 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3i16 h ALA 105 CO -0.07 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.77 3i16 h ALA 106 N 1.34 0.57 0.08 0.00 0.00 -0.68 -0.07 119.26 120.49 3i16 h ALA 106 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i16 h ALA 106 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i16 h ALA 106 CO -0.02 0.32 -0.04 -0.07 0.00 0.00 0.00 179.25 179.45 3i16 h LEU 107 N 0.57 -0.09 -1.38 0.00 3.38 -0.97 -1.22 115.31 115.61 3i16 h LEU 107 Ca 0.12 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3i16 h LEU 107 Cb 0.43 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3i16 h LEU 107 CO 0.02 0.46 -0.05 -0.26 0.09 0.00 0.00 178.44 178.69 3i16 h PHE 108 N -0.67 0.36 -0.37 1.13 0.04 -1.22 -1.07 116.94 115.13 3i16 h PHE 108 Ca -0.01 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 3i16 h PHE 108 Cb 0.55 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3i16 h PHE 108 CO 0.10 0.41 -0.22 0.78 -0.60 0.00 0.00 178.31 178.77 3i16 h GLY 109 N 0.73 0.80 -1.43 -1.45 0.00 -0.93 -3.30 103.07 97.49 3i16 h GLY 109 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3i16 h GLY 109 CO 0.01 0.62 -0.10 0.70 0.00 0.00 0.00 176.54 177.77 3i16 n ASN 110 N -4.11 2.46 -4.54 0.19 3.02 -0.47 -4.51 115.26 107.30 3i16 n ASN 110 Ca 0.00 -1.73 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 3i16 n ASN 110 Cb 0.43 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 3i16 n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i16 s LEU 111 N -1.83 2.89 0.06 3.41 1.43 -0.42 -5.00 118.68 119.21 3i16 s LEU 111 Ca 0.22 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3i16 s LEU 111 Cb 0.16 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3i16 s LEU 111 CO 0.31 0.14 -0.04 -0.13 0.23 0.00 0.00 176.35 176.87 3i16 s ARG 112 N -2.48 0.62 0.10 1.70 1.81 -1.26 -4.84 118.95 114.60 3i16 s ARG 112 Ca 0.22 -1.16 -0.36 0.00 -1.72 0.00 0.00 55.73 52.71 3i16 s ARG 112 Cb -0.10 0.08 -0.17 0.00 -0.45 0.00 0.00 34.95 34.32 3i16 s ARG 112 CO 0.13 -0.08 1.25 -2.30 -0.68 0.00 0.00 175.30 173.63 3i16 n PRO 113 N 0.31 1.01 0.00 3.54 -0.02 -1.26 -1.18 135.00 137.39 3i16 n PRO 113 Ca -0.15 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i16 n PRO 113 Cb 0.60 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3i16 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i16 n GLY 114 N 2.27 3.20 3.79 -1.23 0.00 -0.09 -4.97 105.19 108.17 3i16 n GLY 114 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i16 n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i16 s ASN 115 N 0.11 5.20 0.00 1.61 0.02 -0.33 -4.83 114.94 116.72 3i16 s ASN 115 Ca 0.00 1.81 0.00 0.00 -1.02 0.00 0.00 52.86 53.65 3i16 s ASN 115 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.75 3i16 s ASN 115 CO 0.00 -1.56 0.00 0.41 0.02 0.00 0.00 177.10 175.97 3i16 n THR 116 N -2.77 0.00 -3.27 1.60 -1.04 -0.25 -0.95 114.28 107.60 3i16 n THR 116 Ca 0.09 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.13 3i16 n THR 116 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 3i16 n THR 116 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i16 s LEU 118 N 0.00 -0.80 -0.19 -4.42 2.96 -0.37 -2.12 118.68 113.75 3i16 s LEU 118 Ca 0.00 0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 54.40 3i16 s LEU 118 Cb 0.00 1.75 -0.02 0.00 0.50 0.00 0.00 46.19 48.42 3i16 s LEU 118 CO 0.00 -0.15 0.71 -0.44 -1.32 0.00 0.00 176.35 175.15 3i16 s SER 119 N 2.77 6.78 0.00 3.68 0.01 -0.55 -0.83 113.70 125.56 3i16 s SER 119 Ca 0.04 0.95 0.22 0.00 1.31 0.00 0.00 55.95 58.46 3i16 s SER 119 Cb -0.10 -2.39 0.21 0.00 0.21 0.00 0.00 66.02 63.95 3i16 s SER 119 CO -0.16 -0.33 1.21 1.33 0.41 0.00 0.00 173.24 175.70 3i16 n VAL 120 N 4.76 0.10 -1.86 3.43 0.24 -0.86 -0.84 118.33 123.30 3i16 n VAL 120 Ca 0.01 -0.55 -0.27 0.00 -2.04 0.00 0.00 64.34 61.49 3i16 n VAL 120 Cb 0.49 1.36 0.04 0.00 -1.47 0.00 0.00 33.84 34.25 3i16 n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i16 n GLY 122 N -0.75 -1.38 3.76 0.00 0.00 -0.50 -4.66 105.19 101.65 3i16 n GLY 122 Ca 0.49 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3i16 n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i16 s GLU 123 N 0.00 4.39 0.95 1.61 -1.05 -1.26 -4.85 118.70 118.48 3i16 s GLU 123 Ca 0.00 2.13 -0.11 0.00 -0.15 0.00 0.00 54.97 56.84 3i16 s GLU 123 Cb 0.00 -3.12 0.16 0.00 -0.44 0.00 0.00 34.13 30.73 3i16 s GLU 123 CO 0.00 -0.19 1.10 -2.14 0.95 0.00 0.00 175.26 174.98 3i16 s PRO 124 N -1.11 0.82 0.52 -4.83 0.02 -1.26 -4.94 135.00 124.22 3i16 s PRO 124 Ca 0.52 1.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 3i16 s PRO 124 Cb -0.38 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 3i16 s PRO 124 CO 0.46 -2.64 0.84 2.48 -0.33 0.00 0.00 177.00 177.81 3i16 n TYR 125 N -4.20 0.48 -0.30 6.54 4.11 -1.26 -4.84 117.16 117.68 3i16 n TYR 125 Ca 0.08 0.49 0.11 0.00 -0.00 0.00 0.00 57.90 58.58 3i16 n TYR 125 Cb 0.53 -2.11 0.24 0.00 -0.00 0.00 0.00 39.34 38.00 3i16 n TYR 125 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3i16 h ASP 126 N 0.81 -0.34 0.37 9.48 3.32 -2.01 -2.31 116.42 125.74 3i16 h ASP 126 Ca -0.46 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3i16 h ASP 126 Cb 1.37 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 3i16 h ASP 126 CO 0.52 -0.25 -0.06 0.00 -1.72 0.00 0.00 179.24 177.73 3i16 h THR 127 N 0.08 0.31 0.00 0.35 1.03 -2.04 -1.07 112.91 111.58 3i16 h THR 127 Ca 0.52 -0.35 0.00 0.00 -0.01 0.00 0.00 66.41 66.57 3i16 h THR 127 Cb 1.02 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 3i16 h THR 127 CO -0.78 0.06 0.00 -0.11 -0.01 0.00 0.00 175.52 174.68 3i16 n LEU 128 N -3.41 0.48 -0.18 0.00 7.94 -0.87 -3.78 117.00 117.18 3i16 n LEU 128 Ca -0.02 0.56 -0.09 0.00 -1.11 0.00 0.00 56.01 55.35 3i16 n LEU 128 Cb 0.20 -0.44 0.03 0.00 0.53 0.00 0.00 43.42 43.74 3i16 n LEU 128 CO 0.27 -0.21 0.76 0.45 -1.11 0.00 0.00 177.39 177.55 3i16 h HIS 129 N 0.00 1.13 0.00 1.96 3.86 -1.33 -1.74 115.15 119.03 3i16 h HIS 129 Ca 0.00 -0.22 -0.08 0.00 -1.16 0.00 0.00 60.37 58.91 3i16 h HIS 129 Cb 0.55 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3i16 h HIS 129 CO 0.00 1.04 -0.38 -0.44 0.86 0.00 0.00 177.93 179.00 3i16 h ASP 130 N 0.90 0.00 -0.15 2.45 3.32 -1.75 0.51 116.42 121.71 3i16 h ASP 130 Ca 0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3i16 h ASP 130 Cb 0.65 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3i16 h ASP 130 CO 0.05 0.38 -0.23 0.58 -1.72 0.00 0.00 179.24 178.30 3i16 h VAL 131 N 0.00 1.36 -0.05 -1.35 2.07 -1.62 -3.25 116.25 113.40 3i16 h VAL 131 Ca -0.00 -1.46 -0.22 0.00 0.82 0.00 0.00 66.70 65.84 3i16 h VAL 131 Cb 0.75 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3i16 h VAL 131 CO 0.05 0.43 -0.87 0.40 0.02 0.00 0.00 177.57 177.61 3i16 h ILE 132 N 0.04 1.36 -0.15 4.57 2.04 -1.32 -0.45 117.51 123.59 3i16 h ILE 132 Ca 0.01 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.62 3i16 h ILE 132 Cb 0.80 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3i16 h ILE 132 CO 0.05 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.50 3i16 n GLY 133 N 0.81 1.00 0.07 5.37 0.00 0.10 -2.16 105.19 110.39 3i16 n GLY 133 Ca -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 3i16 n GLY 133 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i16 h ILE 134 N 0.00 0.00 0.00 -0.61 2.04 -1.69 -3.41 117.51 113.84 3i16 h ILE 134 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i16 h ILE 134 Cb 0.61 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3i16 h ILE 134 CO 0.00 0.00 -0.65 0.41 0.00 0.00 0.00 178.15 177.91 3i16 n THR 135 N -2.76 1.32 -4.24 -0.27 -1.04 -1.26 -5.02 114.28 101.00 3i16 n THR 135 Ca -0.02 0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 61.98 3i16 n THR 135 Cb 0.07 -2.30 -0.07 0.00 -1.82 0.00 0.00 70.33 66.21 3i16 n THR 135 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3i16 s GLU 136 N -2.38 2.32 -0.15 -2.82 4.04 -1.26 -5.13 118.70 113.31 3i16 s GLU 136 Ca -0.19 -1.47 -0.06 0.00 0.04 0.00 0.00 54.97 53.30 3i16 s GLU 136 Cb 0.03 -2.16 0.07 0.00 0.02 0.00 0.00 34.13 32.09 3i16 s GLU 136 CO 0.28 0.28 0.33 -0.80 -1.84 0.00 0.00 175.26 173.51 3i16 s ASN 137 N -3.73 0.00 -0.26 0.83 0.01 -1.26 -4.70 114.94 105.82 3i16 s ASN 137 Ca 0.33 0.75 0.12 0.00 -0.71 0.00 0.00 52.86 53.36 3i16 s ASN 137 Cb -0.05 0.90 0.47 0.00 0.41 0.00 0.00 41.25 42.98 3i16 s ASN 137 CO 0.21 -0.23 1.17 -1.54 -1.51 0.00 0.00 177.10 175.20 3i16 n SER 138 N 5.14 3.60 -2.65 -1.22 3.41 -1.26 -5.15 113.62 115.50 3i16 n SER 138 Ca -0.11 -3.23 -0.04 0.00 -0.26 0.00 0.00 58.87 55.23 3i16 n SER 138 Cb 0.50 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3i16 n SER 138 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i16 n ASN 139 N -0.67 -3.15 -2.76 4.04 5.15 -1.26 -5.13 115.26 111.48 3i16 n ASN 139 Ca 0.30 1.39 -0.09 0.00 -0.60 0.00 0.00 54.58 55.58 3i16 n ASN 139 Cb 0.91 -5.33 0.07 0.00 -0.53 0.00 0.00 39.78 34.89 3i16 n ASN 139 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i16 n GLY 141 N 1.35 1.59 3.87 8.20 0.00 -1.26 -5.20 105.19 113.73 3i16 n GLY 141 Ca -0.27 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 3i16 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i16 s SER 142 N -2.03 4.37 0.27 1.61 1.04 -1.26 -4.88 113.70 112.81 3i16 s SER 142 Ca 0.26 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.57 3i16 s SER 142 Cb 0.40 -1.43 0.56 0.00 0.10 0.00 0.00 66.02 65.64 3i16 s SER 142 CO -0.04 -2.00 1.78 -0.07 0.98 0.00 0.00 173.24 173.89 3i16 h LEU 143 N -1.12 0.63 -0.72 2.42 3.38 -1.09 -0.76 115.31 118.05 3i16 h LEU 143 Ca -0.47 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3i16 h LEU 143 Cb 1.32 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3i16 h LEU 143 CO 0.65 0.28 0.19 0.50 0.09 0.00 0.00 178.44 180.14 3i16 h LYS 144 N 0.71 1.14 0.00 1.13 1.63 -1.39 -0.36 116.57 119.43 3i16 h LYS 144 Ca 0.48 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3i16 h LYS 144 Cb 0.65 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3i16 h LYS 144 CO -0.34 0.99 0.00 0.93 -3.45 0.00 0.00 179.45 177.58 3i16 h GLU 145 N 1.08 0.00 -0.51 1.90 5.08 -1.46 -1.61 114.58 119.06 3i16 h GLU 145 Ca 0.23 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3i16 h GLU 145 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3i16 h GLU 145 CO -0.00 0.00 0.07 1.19 -1.00 0.00 0.00 179.01 179.27 3i16 n PHE 146 N -2.35 1.78 -1.15 4.33 3.72 -0.44 -4.92 117.46 118.43 3i16 n PHE 146 Ca 0.01 -0.95 -0.05 0.00 -0.05 0.00 0.00 57.45 56.41 3i16 n PHE 146 Cb 0.19 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 3i16 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i16 n GLY 147 N -0.03 0.78 3.65 1.37 0.00 -0.61 -4.05 105.19 106.31 3i16 n GLY 147 Ca 0.30 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3i16 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i16 s ILE 148 N -2.15 5.35 0.37 -0.61 1.01 -0.27 -0.91 121.20 123.99 3i16 s ILE 148 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 3i16 s ILE 148 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3i16 s ILE 148 CO 0.00 0.33 0.62 0.20 0.00 0.00 0.00 174.94 176.09 3i16 s ASN 149 N 1.18 6.34 -0.04 3.58 0.01 -0.12 -3.17 114.94 122.71 3i16 s ASN 149 Ca 0.07 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.92 3i16 s ASN 149 Cb -0.14 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.40 3i16 s ASN 149 CO 0.06 -0.35 -0.12 -0.47 -1.51 0.00 0.00 177.10 174.71 3i16 s TYR 150 N -2.37 1.29 0.18 2.20 5.04 -1.26 -4.29 117.35 118.13 3i16 s TYR 150 Ca 0.43 -0.39 0.05 0.00 -2.44 0.00 0.00 57.07 54.72 3i16 s TYR 150 Cb -0.10 -0.92 -0.05 0.00 0.35 0.00 0.00 41.96 41.24 3i16 s TYR 150 CO 0.37 -0.18 -0.08 0.15 -1.34 0.00 0.00 175.55 174.47 3i16 s LYS 151 N 0.34 1.17 -0.08 4.97 1.02 -1.26 -5.03 119.74 120.87 3i16 s LYS 151 Ca -0.07 -1.53 -0.05 0.00 0.02 0.00 0.00 55.97 54.33 3i16 s LYS 151 Cb -0.12 -0.68 0.03 0.00 -0.52 0.00 0.00 37.83 36.54 3i16 s LYS 151 CO 0.02 0.04 0.19 -1.14 -0.92 0.00 0.00 175.35 173.54 3i16 s GLN 152 N -3.77 0.19 -0.09 1.68 0.74 -1.26 -1.49 119.66 115.67 3i16 s GLN 152 Ca 0.21 0.35 0.04 0.00 0.05 0.00 0.00 55.36 56.01 3i16 s GLN 152 Cb 0.03 -0.01 -0.00 0.00 1.10 0.00 0.00 33.01 34.13 3i16 s GLN 152 CO 0.04 -0.09 -0.22 0.08 -0.55 0.00 0.00 175.29 174.54 3i16 s VAL 153 N 0.61 1.92 0.45 1.34 1.01 -0.02 -4.96 120.40 120.74 3i16 s VAL 153 Ca -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3i16 s VAL 153 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3i16 s VAL 153 CO -0.03 0.53 0.75 -1.81 0.00 0.00 0.00 175.10 174.54 3i16 s ASP 154 N 0.29 6.30 0.66 3.32 1.01 -1.26 -1.41 116.67 125.58 3i16 s ASP 154 Ca -0.15 0.89 -0.15 0.00 0.71 0.00 0.00 52.55 53.85 3i16 s ASP 154 Cb -0.17 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3i16 s ASP 154 CO 0.07 -0.52 1.12 -0.76 0.21 0.00 0.00 175.17 175.29 3i16 s LEU 155 N -4.56 3.39 0.99 1.23 1.43 -1.26 -4.30 118.68 115.60 3i16 s LEU 155 Ca 0.47 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 3i16 s LEU 155 Cb -0.10 -4.55 0.18 0.00 0.03 0.00 0.00 46.19 41.75 3i16 s LEU 155 CO 0.42 -1.66 1.09 -0.54 0.23 0.00 0.00 176.35 175.89 3i16 s LYS 156 N -4.07 0.47 0.58 1.70 1.02 0.22 -4.85 119.74 114.81 3i16 s LYS 156 Ca 0.67 1.06 0.28 0.00 0.02 0.00 0.00 55.97 58.00 3i16 s LYS 156 Cb -0.21 -1.70 1.71 0.00 -0.52 0.00 0.00 37.83 37.11 3i16 s LYS 156 CO 0.41 -2.85 2.20 1.05 -0.92 0.00 0.00 175.35 175.25 3i16 h GLU 157 N -2.00 0.00 -0.07 1.68 4.11 -1.95 0.12 114.58 116.46 3i16 h GLU 157 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3i16 h GLU 157 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3i16 h GLU 157 CO 0.49 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.17 3i16 n ASP 158 N -3.94 0.49 0.00 3.06 5.75 -1.26 -4.91 116.55 115.75 3i16 n ASP 158 Ca -0.02 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3i16 n ASP 158 Cb 0.15 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3i16 n ASP 158 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i16 n GLY 159 N 0.80 2.37 3.89 6.12 0.00 0.03 -4.98 105.19 113.42 3i16 n GLY 159 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3i16 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i16 s LYS 160 N -0.25 3.55 0.43 1.61 -0.14 -1.26 -4.72 119.74 118.96 3i16 s LYS 160 Ca 0.00 0.47 -0.25 0.00 -1.36 0.00 0.00 55.97 54.83 3i16 s LYS 160 Cb 0.00 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.85 3i16 s LYS 160 CO 0.00 -0.41 1.33 -2.14 -0.76 0.00 0.00 175.35 173.37 3i16 s PRO 161 N -4.97 3.80 -1.21 -1.68 0.02 -1.26 -0.61 135.00 129.09 3i16 s PRO 161 Ca 0.51 2.20 -0.13 0.00 0.02 0.00 0.00 61.00 63.60 3i16 s PRO 161 Cb -0.11 -2.66 0.18 0.00 0.02 0.00 0.00 34.50 31.94 3i16 s PRO 161 CO 0.50 -0.65 1.44 -1.71 -0.33 0.00 0.00 177.00 176.25 3i16 n ASN 162 N -0.11 5.25 -0.25 2.53 2.85 -1.26 -4.70 115.26 119.57 3i16 n ASN 162 Ca 0.05 -3.00 0.02 0.00 -0.11 0.00 0.00 54.58 51.55 3i16 n ASN 162 Cb 0.44 -1.55 0.25 0.00 1.24 0.00 0.00 39.78 40.16 3i16 n ASN 162 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3i16 h LEU 163 N 9.28 0.87 -0.76 1.20 3.38 -1.95 -1.39 115.31 125.94 3i16 h LEU 163 Ca 0.31 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3i16 h LEU 163 Cb 0.85 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3i16 h LEU 163 CO 1.25 0.60 0.36 -0.33 0.09 0.00 0.00 178.44 180.42 3i16 h GLU 164 N 1.02 1.10 -0.00 1.13 4.39 -2.00 -1.77 114.58 118.45 3i16 h GLU 164 Ca 0.33 -0.17 -0.22 0.00 0.34 0.00 0.00 59.36 59.64 3i16 h GLU 164 Cb 0.03 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3i16 h GLU 164 CO -0.09 0.86 -0.93 1.49 -1.16 0.00 0.00 179.01 179.18 3i16 h GLU 165 N 1.07 0.38 -0.42 2.33 4.57 -1.79 -2.43 114.58 118.30 3i16 h GLU 165 Ca 0.26 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3i16 h GLU 165 Cb 0.13 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3i16 h GLU 165 CO -0.03 1.08 0.26 0.82 -1.18 0.00 0.00 179.01 179.95 3i16 h ILE 166 N 0.22 1.06 -0.30 2.32 2.04 -1.14 -0.42 117.51 121.28 3i16 h ILE 166 Ca -0.07 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3i16 h ILE 166 Cb 1.56 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3i16 h ILE 166 CO 0.16 0.09 0.20 -0.33 0.00 0.00 0.00 178.15 178.27 3i16 h GLU 167 N 0.52 0.40 0.04 2.37 5.08 -1.25 -1.48 114.58 120.26 3i16 h GLU 167 Ca 0.16 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3i16 h GLU 167 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3i16 h GLU 167 CO -0.06 0.26 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.87 3i16 h LYS 168 N 0.41 -0.22 -0.70 2.33 3.64 -1.19 0.27 116.57 121.10 3i16 h LYS 168 Ca 0.11 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3i16 h LYS 168 Cb -0.05 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3i16 h LYS 168 CO -0.03 -0.15 0.32 0.28 -2.27 0.00 0.00 179.45 177.60 3i16 h VAL 169 N -0.23 1.23 -0.14 2.00 2.07 -0.93 -1.33 116.25 118.92 3i16 h VAL 169 Ca 0.03 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3i16 h VAL 169 Cb 0.27 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3i16 h VAL 169 CO -0.09 0.28 -0.07 -0.07 0.02 0.00 0.00 177.57 177.64 3i16 h LEU 170 N 1.00 0.30 -1.19 2.57 3.38 -1.07 -2.36 115.31 117.94 3i16 h LEU 170 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3i16 h LEU 170 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3i16 h LEU 170 CO -0.03 0.64 0.36 0.11 0.09 0.00 0.00 178.44 179.61 3i16 h LYS 171 N -0.05 0.91 -0.00 1.13 1.57 -0.69 -2.70 116.57 116.73 3i16 h LYS 171 Ca 0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3i16 h LYS 171 Cb 0.53 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3i16 h LYS 171 CO 0.02 0.68 -0.03 0.39 -0.57 0.00 0.00 179.45 179.94 3i16 n GLU 172 N -4.37 1.08 -3.35 3.15 1.02 -0.52 -4.53 120.64 113.12 3i16 n GLU 172 Ca 0.06 -0.32 -0.18 0.00 -0.02 0.00 0.00 57.16 56.70 3i16 n GLU 172 Cb 0.10 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 3i16 n GLU 172 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i16 s ASP 173 N -2.14 1.22 0.00 1.62 -1.08 -0.89 -5.00 116.67 110.40 3i16 s ASP 173 Ca 0.40 -1.75 0.17 0.00 -0.52 0.00 0.00 52.55 50.85 3i16 s ASP 173 Cb 0.21 0.47 0.90 0.00 -1.46 0.00 0.00 42.92 43.04 3i16 s ASP 173 CO 0.39 -0.25 1.50 -0.62 0.52 0.00 0.00 175.17 176.71 3i16 n GLU 174 N 4.06 0.29 0.00 4.34 1.02 -1.26 -2.29 120.64 126.81 3i16 n GLU 174 Ca 0.13 0.10 0.14 0.00 -0.02 0.00 0.00 57.16 57.51 3i16 n GLU 174 Cb 0.45 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 30.97 3i16 n GLU 174 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i16 n SER 175 N -1.24 0.05 -4.63 1.62 3.41 -1.26 -4.75 113.62 106.82 3i16 n SER 175 Ca 0.09 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 3i16 n SER 175 Cb 0.12 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 3i16 n SER 175 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i16 s ILE 176 N -2.96 3.87 -0.27 -1.33 1.01 -0.97 -1.09 121.20 119.45 3i16 s ILE 176 Ca 0.15 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.82 3i16 s ILE 176 Cb 0.19 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3i16 s ILE 176 CO 0.54 -0.39 0.24 0.35 0.00 0.00 0.00 174.94 175.69 3i16 n THR 177 N 6.39 0.00 -3.81 2.92 -2.24 -0.90 -4.91 114.28 111.72 3i16 n THR 177 Ca 0.17 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3i16 n THR 177 Cb 0.46 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 3i16 n THR 177 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i16 s LEU 178 N -2.21 1.38 -0.17 3.22 0.20 -1.25 -1.23 118.68 118.62 3i16 s LEU 178 Ca 0.02 0.23 0.00 0.00 0.69 0.00 0.00 54.13 55.07 3i16 s LEU 178 Cb 0.04 0.36 0.01 0.00 -0.43 0.00 0.00 46.19 46.17 3i16 s LEU 178 CO 0.22 -0.06 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.36 3i16 s VAL 179 N 0.33 2.47 -0.25 1.68 1.01 0.52 -1.23 120.40 124.93 3i16 s VAL 179 Ca -0.02 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 3i16 s VAL 179 Cb -0.03 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3i16 s VAL 179 CO -0.01 0.51 0.20 -2.28 0.00 0.00 0.00 175.10 173.53 3i16 s HIS 180 N 1.11 3.30 -0.17 5.22 2.46 -0.01 -0.36 115.29 126.84 3i16 s HIS 180 Ca 0.00 0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.79 3i16 s HIS 180 Cb -0.14 -2.34 0.01 0.00 -0.13 0.00 0.00 32.58 29.98 3i16 s HIS 180 CO -0.06 -0.01 -0.17 0.42 -2.47 0.00 0.00 174.74 172.45 3i16 s ILE 181 N 1.29 2.34 -0.25 0.89 1.01 0.56 -2.04 121.20 125.00 3i16 s ILE 181 Ca 0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3i16 s ILE 181 Cb -0.14 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3i16 s ILE 181 CO 0.07 0.52 0.22 -1.58 0.00 0.00 0.00 174.94 174.17 3i16 s GLN 182 N 1.14 4.03 0.01 2.79 0.74 -1.26 -0.63 119.66 126.48 3i16 s GLN 182 Ca 0.01 -0.20 -0.18 0.00 0.05 0.00 0.00 55.36 55.04 3i16 s GLN 182 Cb -0.14 -3.60 -0.31 0.00 1.10 0.00 0.00 33.01 30.06 3i16 s GLN 182 CO -0.07 -0.08 1.02 -0.09 -0.55 0.00 0.00 175.29 175.51 3i16 h ARG 183 N 7.91 0.49 -7.26 1.67 2.43 -1.68 -3.43 114.38 114.50 3i16 h ARG 183 Ca -0.36 -0.72 -0.50 0.00 -0.81 0.00 0.00 59.98 57.59 3i16 h ARG 183 Cb 1.18 0.25 0.05 0.00 -0.42 0.00 0.00 29.97 31.03 3i16 h ARG 183 CO 0.62 1.32 0.34 0.45 -1.51 0.00 0.00 179.97 181.20 3i16 s SER 184 N -7.25 6.19 0.05 -3.80 0.15 -1.26 -1.61 113.70 106.17 3i16 s SER 184 Ca -0.11 1.28 -0.17 0.00 0.70 0.00 0.00 55.95 57.64 3i16 s SER 184 Cb 0.04 -2.38 -0.16 0.00 -1.71 0.00 0.00 66.02 61.80 3i16 s SER 184 CO 0.89 -0.83 1.27 0.71 1.20 0.00 0.00 173.24 176.48 3i16 h THR 185 N -0.21 1.35 -0.00 6.45 1.35 -1.89 -3.46 112.91 116.50 3i16 h THR 185 Ca -0.45 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3i16 h THR 185 Cb 1.20 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3i16 h THR 185 CO 0.62 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 3i16 n GLY 186 N 0.59 -1.99 3.23 5.82 0.00 -1.26 -4.36 105.19 107.23 3i16 n GLY 186 Ca -0.07 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 3i16 n GLY 186 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i16 n TYR 187 N -0.00 2.75 -2.49 1.61 0.53 -1.26 -4.76 117.16 113.54 3i16 n TYR 187 Ca 0.00 -2.04 0.00 0.00 -1.02 0.00 0.00 57.90 54.84 3i16 n TYR 187 Cb 0.00 -2.22 0.00 0.00 -1.03 0.00 0.00 39.34 36.09 3i16 n TYR 187 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i16 n GLY 188 N 4.92 5.01 2.53 2.72 0.00 -1.26 -5.12 105.19 113.98 3i16 n GLY 188 Ca 0.49 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 3i16 n GLY 188 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3i16 n TRP 189 N 0.00 -2.08 -4.01 1.61 -0.00 -1.26 -5.06 117.44 106.63 3i16 n TRP 189 Ca 0.00 -2.53 -0.10 0.00 -0.00 0.00 0.00 57.50 54.88 3i16 n TRP 189 Cb 0.00 0.83 -0.06 0.00 -0.00 0.00 0.00 31.31 32.08 3i16 n TRP 189 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 3i16 s ARG 190 N -0.20 1.45 0.51 5.87 1.70 -1.26 -5.10 118.95 121.91 3i16 s ARG 190 Ca 0.32 -1.28 -0.18 0.00 -0.47 0.00 0.00 55.73 54.12 3i16 s ARG 190 Cb 0.23 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.97 3i16 s ARG 190 CO -0.16 -0.58 1.02 -0.98 -1.08 0.00 0.00 175.30 173.52 3i16 s ARG 191 N -4.03 3.76 0.81 3.89 1.70 -1.26 -4.86 118.95 118.96 3i16 s ARG 191 Ca 0.24 1.20 -0.11 0.00 -0.47 0.00 0.00 55.73 56.58 3i16 s ARG 191 Cb 0.01 -2.10 0.08 0.00 -0.57 0.00 0.00 34.95 32.37 3i16 s ARG 191 CO 0.08 -0.45 1.09 0.00 -1.08 0.00 0.00 175.30 174.94 3i16 s ALA 192 N -2.28 2.09 -0.02 7.88 0.00 -1.26 -4.80 121.76 123.37 3i16 s ALA 192 Ca 0.64 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 3i16 s ALA 192 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3i16 s ALA 192 CO 0.26 -1.86 1.11 -0.51 0.00 0.00 0.00 175.76 174.76 3i16 s LEU 193 N -5.90 4.32 0.68 0.00 1.43 -0.63 -4.73 118.68 113.86 3i16 s LEU 193 Ca 0.61 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 3i16 s LEU 193 Cb -0.16 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 3i16 s LEU 193 CO 0.55 -0.45 1.06 -0.76 0.23 0.00 0.00 176.35 176.98 3i16 s LEU 194 N 1.57 3.11 0.28 1.79 1.43 -1.26 -4.71 118.68 120.87 3i16 s LEU 194 Ca 0.54 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3i16 s LEU 194 Cb -0.24 -4.41 0.52 0.00 0.03 0.00 0.00 46.19 42.09 3i16 s LEU 194 CO 0.25 -1.30 1.84 0.40 0.23 0.00 0.00 176.35 177.76 3i16 h ILE 195 N -0.62 0.94 -0.81 -0.59 1.08 -1.96 -0.23 117.51 115.32 3i16 h ILE 195 Ca -0.44 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 3i16 h ILE 195 Cb 1.21 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 3i16 h ILE 195 CO 0.59 0.18 0.52 -0.33 -0.69 0.00 0.00 178.15 178.42 3i16 h GLU 196 N 1.01 1.09 -0.38 2.37 3.07 -1.99 -0.01 114.58 119.74 3i16 h GLU 196 Ca 0.48 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.36 59.14 3i16 h GLU 196 Cb 0.44 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3i16 h GLU 196 CO -0.25 0.74 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.40 3i16 h ASP 197 N 1.11 0.88 -0.32 1.42 3.32 -1.46 -1.87 116.42 119.51 3i16 h ASP 197 Ca 0.30 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.92 3i16 h ASP 197 Cb -0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 3i16 h ASP 197 CO -0.06 1.12 0.20 0.40 -1.72 0.00 0.00 179.24 179.18 3i16 h ILE 198 N 0.64 1.05 -0.98 0.35 2.04 -0.69 -1.92 117.51 118.00 3i16 h ILE 198 Ca 0.08 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3i16 h ILE 198 Cb 0.83 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 3i16 h ILE 198 CO 0.07 0.07 0.64 0.50 0.00 0.00 0.00 178.15 179.43 3i16 h LYS 199 N 0.40 1.18 -0.41 2.37 3.64 -0.90 -1.17 116.57 121.68 3i16 h LYS 199 Ca 0.12 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3i16 h LYS 199 Cb -0.02 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3i16 h LYS 199 CO -0.05 0.78 -0.12 0.66 -2.27 0.00 0.00 179.45 178.46 3i16 h SER 200 N 1.22 0.73 -0.24 4.20 4.64 -0.94 -0.27 113.55 122.90 3i16 h SER 200 Ca 0.40 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3i16 h SER 200 Cb 0.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3i16 h SER 200 CO -0.14 0.87 0.08 0.40 -0.87 0.00 0.00 176.83 177.18 3i16 h ILE 201 N 0.67 1.18 -0.00 0.95 2.04 -0.66 -1.47 117.51 120.22 3i16 h ILE 201 Ca 0.11 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3i16 h ILE 201 Cb 0.58 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3i16 h ILE 201 CO 0.04 0.19 0.00 0.58 0.00 0.00 0.00 178.15 178.95 3i16 h VAL 202 N 0.22 1.05 -0.97 1.67 2.07 -1.06 -0.22 116.25 119.01 3i16 h VAL 202 Ca 0.08 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3i16 h VAL 202 Cb 0.21 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3i16 h VAL 202 CO -0.00 0.04 0.64 0.44 0.02 0.00 0.00 177.57 178.71 3i16 h ASP 203 N -0.06 1.08 0.27 0.57 3.32 -1.01 -0.12 116.42 120.47 3i16 h ASP 203 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i16 h ASP 203 Cb 0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3i16 h ASP 203 CO -0.00 0.76 -0.13 0.00 -1.72 0.00 0.00 179.24 178.15 3i16 h VAL 205 N -0.48 1.05 0.00 0.00 2.07 -0.68 -2.70 116.25 115.51 3i16 h VAL 205 Ca -0.04 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3i16 h VAL 205 Cb 0.36 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3i16 h VAL 205 CO 0.06 0.05 -0.12 0.11 0.02 0.00 0.00 177.57 177.69 3i16 h LYS 206 N 0.22 0.00 0.00 1.57 1.79 -1.05 -1.63 116.57 117.47 3i16 h LYS 206 Ca 0.06 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 3i16 h LYS 206 Cb -0.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3i16 h LYS 206 CO -0.01 0.12 -0.40 -0.97 -1.08 0.00 0.00 179.45 177.11 3i16 h ASN 207 N 0.00 0.00 0.00 0.86 -1.24 -0.99 -2.74 115.58 111.47 3i16 h ASN 207 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3i16 h ASN 207 Cb 0.45 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 3i16 h ASN 207 CO 0.02 0.40 -0.12 0.40 -1.29 0.00 0.00 177.43 176.84 3i16 h ILE 208 N 0.00 0.70 -2.82 2.57 1.08 -1.22 -3.46 117.51 114.36 3i16 h ILE 208 Ca -0.00 -1.55 -0.36 0.00 -0.39 0.00 0.00 64.86 62.56 3i16 h ILE 208 Cb 0.88 1.34 -0.38 0.00 -3.07 0.00 0.00 36.82 35.60 3i16 h ILE 208 CO 0.05 0.24 -0.67 -0.13 -0.69 0.00 0.00 178.15 176.95 3i16 s ARG 209 N -1.89 0.11 0.45 2.37 0.52 -0.80 -5.03 118.95 114.68 3i16 s ARG 209 Ca -0.10 0.19 0.30 0.00 -0.52 0.00 0.00 55.73 55.61 3i16 s ARG 209 Cb -0.01 -1.20 1.59 0.00 0.52 0.00 0.00 34.95 35.85 3i16 s ARG 209 CO 0.30 -0.58 1.93 1.57 0.02 0.00 0.00 175.30 178.54 3i16 h LYS 210 N 8.36 0.00 -0.00 3.54 5.09 -1.73 -2.43 116.57 129.41 3i16 h LYS 210 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.59 3i16 h LYS 210 Cb 1.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.47 3i16 h LYS 210 CO 0.25 0.00 -0.19 -0.40 -2.09 0.00 0.00 179.45 177.03 3i16 n ASP 211 N -2.59 0.21 -4.69 7.07 5.68 -1.26 -4.86 116.55 116.10 3i16 n ASP 211 Ca -0.01 0.16 -0.42 0.00 -0.50 0.00 0.00 54.79 54.02 3i16 n ASP 211 Cb 0.09 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 3i16 n ASP 211 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3i16 s ILE 212 N -2.97 3.50 -0.08 2.12 1.01 -0.91 -4.95 121.20 118.92 3i16 s ILE 212 Ca 0.14 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3i16 s ILE 212 Cb 0.19 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3i16 s ILE 212 CO 0.59 -0.00 1.34 -0.63 0.00 0.00 0.00 174.94 176.23 3i16 s ILE 213 N 2.46 4.04 -0.45 2.92 -1.09 -0.36 -4.90 121.20 123.82 3i16 s ILE 213 Ca 0.67 1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 60.26 3i16 s ILE 213 Cb -0.34 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3i16 s ILE 213 CO 0.28 -0.06 0.38 0.00 -1.23 0.00 0.00 174.94 174.31 3i16 s PHE 215 N 1.71 3.12 -0.15 0.00 5.36 0.52 -1.36 117.98 127.18 3i16 s PHE 215 Ca 0.05 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3i16 s PHE 215 Cb -0.22 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 3i16 s PHE 215 CO 0.08 -0.02 -0.18 0.08 -1.46 0.00 0.00 175.22 173.72 3i16 s VAL 216 N 0.58 2.44 -0.51 3.12 1.01 -0.49 -0.32 120.40 126.22 3i16 s VAL 216 Ca 0.01 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3i16 s VAL 216 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3i16 s VAL 216 CO 0.02 0.53 1.31 -0.62 0.00 0.00 0.00 175.10 176.34 3i16 s ASP 217 N 0.83 6.35 0.00 3.32 -1.08 0.20 -2.15 116.67 124.14 3i16 s ASP 217 Ca -0.06 0.41 0.20 0.00 -0.52 0.00 0.00 52.55 52.59 3i16 s ASP 217 Cb -0.15 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.30 3i16 s ASP 217 CO -0.01 -1.50 1.44 -3.20 0.52 0.00 0.00 175.17 172.42 3i16 n ASN 218 N 8.80 2.75 -4.64 -0.34 5.15 -0.26 -1.73 115.26 124.98 3i16 n ASN 218 Ca 0.12 -1.91 -0.45 0.00 -0.60 0.00 0.00 54.58 51.74 3i16 n ASN 218 Cb 0.49 -0.24 -0.02 0.00 -0.53 0.00 0.00 39.78 39.47 3i16 n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i16 n TYR 220 N 1.32 0.00 1.05 0.00 4.01 -1.26 -4.32 117.16 117.96 3i16 n TYR 220 Ca 0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 3i16 n TYR 220 Cb 0.31 -0.36 0.07 0.00 -0.31 0.00 0.00 39.34 39.04 3i16 n TYR 220 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i16 n GLY 221 N -2.00 -0.61 3.70 2.72 0.00 -0.46 -3.17 105.19 105.38 3i16 n GLY 221 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3i16 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i16 s GLU 222 N -2.73 4.19 -0.25 1.61 8.01 -1.25 -4.54 118.70 123.74 3i16 s GLU 222 Ca 0.15 2.40 -0.09 0.00 0.01 0.00 0.00 54.97 57.44 3i16 s GLU 222 Cb 0.18 -3.39 0.01 0.00 -4.31 0.00 0.00 34.13 26.61 3i16 s GLU 222 CO 0.68 -0.70 0.35 1.19 0.01 0.00 0.00 175.26 176.78 3i16 n PHE 223 N 4.89 -2.04 -0.39 1.61 3.72 -1.26 -4.86 117.46 119.12 3i16 n PHE 223 Ca 0.15 0.82 -0.13 0.00 -0.05 0.00 0.00 57.45 58.24 3i16 n PHE 223 Cb 0.39 -3.02 0.01 0.00 -0.94 0.00 0.00 39.48 35.92 3i16 n PHE 223 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3i16 n ASP 225 N -0.38 -1.16 0.16 4.37 -0.08 -1.26 -4.87 116.55 113.33 3i16 n ASP 225 Ca 0.07 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.48 3i16 n ASP 225 Cb 0.27 -0.20 0.30 0.00 2.34 0.00 0.00 41.12 43.83 3i16 n ASP 225 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3i16 h THR 226 N -0.48 0.00 -3.04 5.18 1.35 -1.99 -3.44 112.91 110.49 3i16 h THR 226 Ca -0.13 -0.71 -0.62 0.00 -0.55 0.00 0.00 66.41 64.40 3i16 h THR 226 Cb 0.48 1.71 -0.10 0.00 -1.73 0.00 0.00 68.15 68.51 3i16 h THR 226 CO 0.07 0.00 -0.62 -0.54 -0.25 0.00 0.00 175.52 174.18 3i16 s LYS 227 N -3.16 2.69 0.43 4.72 1.02 -1.26 -4.96 119.74 119.22 3i16 s LYS 227 Ca 0.09 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.28 3i16 s LYS 227 Cb 0.09 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3i16 s LYS 227 CO 0.63 0.51 0.18 -1.21 -0.92 0.00 0.00 175.35 174.54 3i16 s GLU 228 N -2.67 2.21 0.51 1.68 0.41 -1.26 -4.91 118.70 114.67 3i16 s GLU 228 Ca 0.28 -1.89 0.19 0.00 -0.41 0.00 0.00 54.97 53.14 3i16 s GLU 228 Cb -0.11 -1.95 1.32 0.00 -1.78 0.00 0.00 34.13 31.61 3i16 s GLU 228 CO 0.21 -0.16 2.12 -1.35 -0.49 0.00 0.00 175.26 175.59 3i16 h PRO 229 N 1.40 0.00 0.00 0.39 0.11 -1.96 -0.68 132.00 131.26 3i16 h PRO 229 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i16 h PRO 229 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i16 h PRO 229 CO 0.70 0.06 0.00 1.79 -0.21 0.00 0.00 178.00 180.34 3i16 h THR 230 N 0.00 0.00 -0.00 -1.15 1.35 -1.83 -1.92 112.91 109.36 3i16 h THR 230 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3i16 h THR 230 Cb 0.12 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3i16 h THR 230 CO 0.01 0.00 -0.14 0.47 -0.25 0.00 0.00 175.52 175.61 3i16 n ASP 231 N -2.74 0.15 -1.50 5.36 8.00 -0.26 -3.88 116.55 121.67 3i16 n ASP 231 Ca -0.00 0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.67 3i16 n ASP 231 Cb 0.20 -0.27 0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3i16 n ASP 231 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3i16 n VAL 232 N -1.47 1.93 -0.08 2.53 0.24 -0.82 -4.99 118.33 115.67 3i16 n VAL 232 Ca 0.07 -3.28 0.00 0.00 -2.04 0.00 0.00 64.34 59.09 3i16 n VAL 232 Cb 0.33 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3i16 n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i16 n GLY 233 N -0.70 0.54 3.74 7.63 0.00 -1.21 -4.50 105.19 110.69 3i16 n GLY 233 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3i16 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i16 s ALA 234 N -2.16 3.58 0.02 4.61 0.00 -0.78 -4.86 121.76 122.16 3i16 s ALA 234 Ca 0.00 1.21 0.15 0.00 0.00 0.00 0.00 51.96 53.31 3i16 s ALA 234 Cb 0.00 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.83 3i16 s ALA 234 CO 0.00 -0.63 1.52 -0.44 0.00 0.00 0.00 175.76 176.21 3i16 h ASP 235 N 5.36 0.00 -3.92 0.00 3.32 -1.57 -3.41 116.42 116.19 3i16 h ASP 235 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3i16 h ASP 235 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3i16 h ASP 235 CO 0.78 0.55 0.10 -0.22 -1.72 0.00 0.00 179.24 178.73 3i16 s LEU 236 N -6.75 -0.69 0.17 1.55 2.96 -1.17 -1.40 118.68 113.35 3i16 s LEU 236 Ca 0.02 1.41 0.06 0.00 -0.22 0.00 0.00 54.13 55.41 3i16 s LEU 236 Cb 0.09 2.39 -0.04 0.00 0.50 0.00 0.00 46.19 49.13 3i16 s LEU 236 CO 0.74 -0.24 -0.13 0.27 -1.32 0.00 0.00 176.35 175.67 3i16 s ILE 237 N 0.46 1.45 0.03 6.68 -4.36 0.11 -1.40 121.20 124.17 3i16 s ILE 237 Ca -0.01 -2.06 -0.00 0.00 -0.26 0.00 0.00 60.65 58.32 3i16 s ILE 237 Cb -0.05 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 3i16 s ILE 237 CO -0.01 -0.62 -0.03 0.00 0.24 0.00 0.00 174.94 174.53 3i16 s ALA 238 N -2.94 0.20 0.28 2.27 0.00 -0.91 -2.07 121.76 118.58 3i16 s ALA 238 Ca 0.18 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 3i16 s ALA 238 Cb -0.00 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.35 3i16 s ALA 238 CO 0.04 -0.20 0.91 0.20 0.00 0.00 0.00 175.76 176.71 3i16 s GLY 239 N -1.73 0.20 -0.07 0.00 0.00 -0.52 -1.10 107.32 104.10 3i16 s GLY 239 Ca -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 3i16 s GLY 239 CO -0.03 0.91 0.00 -0.45 0.00 0.00 0.00 173.10 173.53 3i16 s SER 240 N -3.20 5.21 0.00 1.64 0.15 -1.26 -1.52 113.70 114.72 3i16 s SER 240 Ca 0.18 0.11 0.31 0.00 0.70 0.00 0.00 55.95 57.25 3i16 s SER 240 Cb -0.04 -1.44 1.61 0.00 -1.71 0.00 0.00 66.02 64.44 3i16 s SER 240 CO 0.08 0.36 2.09 0.18 1.20 0.00 0.00 173.24 177.15 3i16 n LEU 241 N 1.99 0.05 -1.37 3.45 4.77 -0.07 -3.10 117.00 122.73 3i16 n LEU 241 Ca -0.18 0.18 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3i16 n LEU 241 Cb 0.53 -0.19 0.32 0.00 -2.33 0.00 0.00 43.42 41.75 3i16 n LEU 241 CO 0.29 0.01 0.78 2.30 -1.33 0.00 0.00 177.39 179.44 3i16 n ILE 242 N -1.17 1.53 -1.90 -0.08 -5.35 -1.26 -3.20 119.36 107.93 3i16 n ILE 242 Ca 0.17 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.49 3i16 n ILE 242 Cb 0.21 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3i16 n ILE 242 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3i16 n LYS 243 N 1.11 3.82 -0.33 6.28 5.02 -1.18 -1.72 118.16 131.16 3i16 n LYS 243 Ca 0.24 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3i16 n LYS 243 Cb 0.76 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.89 3i16 n LYS 243 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3i16 h ASN 244 N 0.00 -0.93 0.94 4.39 4.21 -1.91 -2.75 115.58 119.53 3i16 h ASN 244 Ca 0.00 0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.79 3i16 h ASN 244 Cb 0.00 0.60 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 3i16 h ASN 244 CO 0.00 -0.31 0.00 -0.29 -1.29 0.00 0.00 177.43 175.54 3i16 h ILE 245 N -0.00 0.00 0.00 2.81 2.10 -1.87 -2.08 117.51 118.47 3i16 h ILE 245 Ca 0.43 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.97 3i16 h ILE 245 Cb 0.67 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3i16 h ILE 245 CO -0.96 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 176.72 3i16 n GLY 246 N 0.09 -1.15 2.46 8.18 0.00 -1.04 -3.51 105.19 110.21 3i16 n GLY 246 Ca 0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3i16 n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 247 N 1.11 1.33 2.63 -0.02 0.00 -0.78 -1.47 105.19 108.00 3i16 n GLY 247 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i16 n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 248 N -0.49 2.40 0.00 -0.02 0.00 -1.26 -4.74 105.19 101.08 3i16 n GLY 248 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 3i16 n GLY 248 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i16 n ILE 249 N -2.00 0.00 -1.97 -0.61 -5.35 -0.54 -4.87 119.36 104.02 3i16 n ILE 249 Ca 0.00 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.91 3i16 n ILE 249 Cb 0.00 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 38.49 3i16 n ILE 249 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i16 s ALA 250 N -1.82 3.75 -0.61 -1.28 0.00 -0.71 -4.91 121.76 116.18 3i16 s ALA 250 Ca -0.00 1.33 0.25 0.00 0.00 0.00 0.00 51.96 53.53 3i16 s ALA 250 Cb 0.01 -3.61 0.48 0.00 0.00 0.00 0.00 23.12 20.00 3i16 s ALA 250 CO 0.05 -0.75 1.50 -1.00 0.00 0.00 0.00 175.76 175.56 3i16 h PRO 251 N 6.81 0.00 0.00 0.00 0.13 -1.90 -3.42 132.00 133.62 3i16 h PRO 251 Ca -0.42 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.92 3i16 h PRO 251 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3i16 h PRO 251 CO 0.91 0.00 0.62 -2.37 -0.23 0.00 0.00 178.00 176.93 3i16 n THR 252 N -2.34 0.00 0.00 1.56 5.66 -1.26 -4.85 114.28 113.05 3i16 n THR 252 Ca 0.04 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3i16 n THR 252 Cb 0.46 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.75 3i16 n THR 252 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i16 n GLY 253 N -0.67 1.08 3.51 1.09 0.00 -1.09 -4.67 105.19 104.44 3i16 n GLY 253 Ca 0.02 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 3i16 n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i16 s GLY 254 N 0.00 1.15 0.07 -0.02 0.00 -0.68 -0.89 107.32 106.95 3i16 s GLY 254 Ca 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 44.72 43.36 3i16 s GLY 254 CO 0.00 -0.89 0.09 -2.52 0.00 0.00 0.00 173.10 169.78 3i16 s TYR 255 N -3.39 0.30 0.02 1.90 1.13 -0.57 -1.87 117.35 114.85 3i16 s TYR 255 Ca 0.28 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 3i16 s TYR 255 Cb -0.00 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 3i16 s TYR 255 CO 0.16 -0.45 -0.03 -0.51 -2.51 0.00 0.00 175.55 172.21 3i16 s LEU 256 N -2.77 2.19 -0.00 -3.49 1.02 -0.29 -1.43 118.68 113.91 3i16 s LEU 256 Ca 0.04 -0.40 0.01 0.00 0.02 0.00 0.00 54.13 53.81 3i16 s LEU 256 Cb 0.05 0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.33 3i16 s LEU 256 CO -0.10 -0.23 -0.03 0.00 0.02 0.00 0.00 176.35 176.01 3i16 s ALA 257 N -1.15 0.27 0.00 4.21 0.00 -0.88 -0.60 121.76 123.62 3i16 s ALA 257 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3i16 s ALA 257 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3i16 s ALA 257 CO -0.01 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3i16 n GLY 258 N 3.01 -0.55 3.78 0.00 0.00 -0.51 -0.71 105.19 110.20 3i16 n GLY 258 Ca -0.13 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3i16 n GLY 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i16 s THR 259 N -3.43 3.33 0.27 2.61 -4.23 -0.49 -1.23 115.64 112.47 3i16 s THR 259 Ca 0.00 0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 3i16 s THR 259 Cb 0.00 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.80 3i16 s THR 259 CO 0.00 -0.22 1.83 0.50 -0.54 0.00 0.00 174.62 176.19 3i16 h LYS 260 N 1.06 0.90 -0.20 3.99 3.64 -1.91 -0.85 116.57 123.21 3i16 h LYS 260 Ca -0.49 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 3i16 h LYS 260 Cb 1.25 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3i16 h LYS 260 CO 0.57 0.60 0.07 0.22 -2.27 0.00 0.00 179.45 178.63 3i16 h ASP 261 N 0.93 0.28 -0.68 4.20 3.58 -1.98 -0.50 116.42 122.25 3i16 h ASP 261 Ca 0.46 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.66 3i16 h ASP 261 Cb 0.43 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 3i16 h ASP 261 CO -0.26 0.39 0.16 0.00 -2.88 0.00 0.00 179.24 176.65 3i16 h ILE 263 N 1.04 1.29 -0.47 0.00 1.08 -1.05 -2.14 117.51 117.26 3i16 h ILE 263 Ca 0.22 -1.42 -0.04 0.00 -0.39 0.00 0.00 64.86 63.22 3i16 h ILE 263 Cb 0.37 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 3i16 h ILE 263 CO 0.00 0.47 0.13 -0.33 -0.69 0.00 0.00 178.15 177.73 3i16 h GLU 264 N 0.59 0.74 -0.80 2.37 5.08 -0.94 -1.28 114.58 120.33 3i16 h GLU 264 Ca 0.07 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3i16 h GLU 264 Cb 0.84 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3i16 h GLU 264 CO 0.07 0.71 0.46 0.87 -1.00 0.00 0.00 179.01 180.13 3i16 h LYS 265 N 0.62 1.09 -0.60 2.33 1.57 -1.20 -1.46 116.57 118.92 3i16 h LYS 265 Ca 0.15 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3i16 h LYS 265 Cb 0.30 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3i16 h LYS 265 CO -0.00 0.78 0.27 1.15 -0.57 0.00 0.00 179.45 181.08 3i16 h THR 266 N 1.10 1.22 -0.18 -0.16 2.02 -1.14 -2.82 112.91 112.95 3i16 h THR 266 Ca 0.28 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3i16 h THR 266 Cb -0.02 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3i16 h THR 266 CO -0.05 0.25 0.07 0.77 0.37 0.00 0.00 175.52 176.93 3i16 h SER 267 N 0.83 0.22 1.13 4.18 4.64 -0.19 -0.33 113.55 124.03 3i16 h SER 267 Ca 0.20 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3i16 h SER 267 Cb 0.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i16 h SER 267 CO -0.02 0.21 0.00 1.88 -0.87 0.00 0.00 176.83 178.02 3i16 h TYR 268 N 0.25 0.00 0.13 4.77 0.05 -1.17 -0.63 116.97 120.37 3i16 h TYR 268 Ca 0.06 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.51 3i16 h TYR 268 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3i16 h TYR 268 CO 0.00 0.00 -1.77 -0.09 -1.05 0.00 0.00 178.16 175.26 3i16 h ARG 269 N 0.00 0.27 -0.37 4.88 9.65 -1.09 -2.89 114.38 124.82 3i16 h ARG 269 Ca 0.00 -0.46 0.04 0.00 -1.10 0.00 0.00 59.98 58.46 3i16 h ARG 269 Cb 0.57 0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.28 3i16 h ARG 269 CO 0.00 1.14 0.15 1.25 2.80 0.00 0.00 179.97 185.31 3i16 h LEU 270 N 0.07 0.19 0.00 3.80 5.85 -0.91 -3.43 115.31 120.89 3i16 h LEU 270 Ca -0.34 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i16 h LEU 270 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 3i16 h LEU 270 CO 0.13 0.15 0.00 0.35 -0.34 0.00 0.00 178.44 178.73 3i16 n THR 271 N -4.98 0.00 -3.78 1.05 -2.24 -0.27 -5.10 114.28 98.95 3i16 n THR 271 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 3i16 n THR 271 Cb 0.12 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 3i16 n THR 271 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i16 s VAL 272 N 2.05 0.11 0.22 2.28 -7.23 -1.10 -4.89 120.40 111.85 3i16 s VAL 272 Ca 0.00 -0.94 -0.32 0.00 -1.81 0.00 0.00 61.98 58.91 3i16 s VAL 272 Cb 0.00 -1.22 -0.14 0.00 0.56 0.00 0.00 36.38 35.58 3i16 s VAL 272 CO 0.00 -0.52 1.36 -2.65 -0.31 0.00 0.00 175.10 172.98 3i16 n PRO 273 N 0.02 1.84 0.00 4.82 -0.02 -1.22 -1.93 135.00 138.52 3i16 n PRO 273 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3i16 n PRO 273 Cb 0.62 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3i16 n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i16 n GLY 274 N 2.20 2.02 0.71 -1.23 0.00 -1.26 -4.81 105.19 102.82 3i16 n GLY 274 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 3i16 n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i16 n ILE 275 N -2.00 0.96 -2.76 -0.61 2.08 -0.81 -5.05 119.36 111.17 3i16 n ILE 275 Ca 0.00 0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.42 3i16 n ILE 275 Cb 0.00 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 3i16 n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i16 n GLY 276 N 2.60 3.13 0.54 7.39 0.00 -0.91 -1.96 105.19 115.99 3i16 n GLY 276 Ca -0.12 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3i16 n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 277 N 0.00 0.36 0.17 -0.02 0.00 -1.26 -4.29 105.19 100.14 3i16 n GLY 277 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3i16 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i16 h GLU 278 N 1.71 0.13 -6.34 1.61 4.39 -1.80 -3.43 114.58 110.85 3i16 h GLU 278 Ca 0.00 -0.08 -0.61 0.00 0.34 0.00 0.00 59.36 59.02 3i16 h GLU 278 Cb 0.39 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.94 3i16 h GLU 278 CO 0.00 0.62 -0.66 0.00 -1.16 0.00 0.00 179.01 177.82 3i16 n GLY 280 N -0.10 2.49 3.86 0.00 0.00 0.12 -4.99 105.19 106.58 3i16 n GLY 280 Ca -0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3i16 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i16 s SER 281 N 0.00 5.23 -0.08 1.61 1.04 -1.25 -4.66 113.70 115.58 3i16 s SER 281 Ca 0.00 1.24 0.17 0.00 0.48 0.00 0.00 55.95 57.83 3i16 s SER 281 Cb 0.00 -2.04 0.59 0.00 0.10 0.00 0.00 66.02 64.67 3i16 s SER 281 CO 0.00 -1.49 1.50 0.35 0.98 0.00 0.00 173.24 174.58 3i16 n THR 282 N -3.12 1.60 -1.32 2.02 -2.24 -1.26 -4.95 114.28 105.00 3i16 n THR 282 Ca 0.07 -1.23 -0.11 0.00 -2.27 0.00 0.00 64.05 60.51 3i16 n THR 282 Cb 0.56 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 3i16 n THR 282 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i16 n PHE 283 N 0.81 -0.01 -0.91 4.78 3.72 -1.26 -2.37 117.46 122.23 3i16 n PHE 283 Ca 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 3i16 n PHE 283 Cb 0.75 -2.78 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 3i16 n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i16 n GLY 284 N 0.25 0.69 0.78 1.37 0.00 -1.26 -4.92 105.19 102.10 3i16 n GLY 284 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3i16 n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i16 n VAL 285 N -2.58 1.11 -0.13 1.61 0.24 -1.00 -4.68 118.33 112.89 3i16 n VAL 285 Ca 0.00 -1.06 -0.05 0.00 -2.04 0.00 0.00 64.34 61.18 3i16 n VAL 285 Cb 0.00 0.44 0.13 0.00 -1.47 0.00 0.00 33.84 32.94 3i16 n VAL 285 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3i16 h VAL 286 N 2.38 1.25 -0.79 3.34 3.04 -1.91 -2.73 116.25 120.83 3i16 h VAL 286 Ca 0.00 -1.02 0.05 0.00 -1.01 0.00 0.00 66.70 64.72 3i16 h VAL 286 Cb 0.83 0.83 -0.05 0.00 -2.01 0.00 0.00 31.29 30.89 3i16 h VAL 286 CO 0.02 0.36 0.49 -0.09 -1.01 0.00 0.00 177.57 177.34 3i16 h ARG 287 N 0.80 0.89 -1.77 4.17 2.43 -1.89 -1.80 114.38 117.21 3i16 h ARG 287 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3i16 h ARG 287 Cb 0.46 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i16 h ARG 287 CO 0.02 0.59 0.00 -1.13 -1.51 0.00 0.00 179.97 177.94 3i16 n SER 288 N -4.64 1.29 0.00 -3.80 3.41 -1.03 -0.63 113.62 108.21 3i16 n SER 288 Ca 0.10 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 3i16 n SER 288 Cb 0.13 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3i16 n SER 288 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3i16 n TYR 290 N 1.15 0.00 -0.23 7.33 4.01 -0.68 -0.71 117.16 128.03 3i16 n TYR 290 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3i16 n TYR 290 Cb 0.17 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.32 3i16 n TYR 290 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3i16 h GLN 291 N 0.00 1.05 -0.74 -0.72 4.15 -1.13 -1.87 115.11 115.85 3i16 h GLN 291 Ca 0.00 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.25 3i16 h GLN 291 Cb 0.00 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.48 3i16 h GLN 291 CO 0.00 0.88 0.46 0.78 -1.93 0.00 0.00 178.83 179.02 3i16 h GLY 292 N 1.08 1.06 0.99 2.39 0.00 -1.09 -1.60 103.07 105.91 3i16 h GLY 292 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i16 h GLY 292 CO -0.01 0.30 0.20 -2.00 0.00 0.00 0.00 176.54 175.02 3i16 h LEU 293 N 0.91 0.36 -1.19 3.11 5.85 -1.44 -0.34 115.31 122.56 3i16 h LEU 293 Ca 0.30 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3i16 h LEU 293 Cb 0.02 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3i16 h LEU 293 CO -0.11 0.28 0.43 0.15 -0.34 0.00 0.00 178.44 178.85 3i16 h PHE 294 N 0.41 0.95 0.00 1.25 3.57 -0.76 -2.26 116.94 120.10 3i16 h PHE 294 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3i16 h PHE 294 Cb -0.03 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.40 3i16 h PHE 294 CO -0.05 0.64 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.39 3i16 h LEU 295 N 1.00 0.00 -0.70 0.59 3.38 -1.11 -3.40 115.31 115.06 3i16 h LEU 295 Ca 0.26 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.28 3i16 h LEU 295 Cb -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3i16 h LEU 295 CO -0.05 0.02 0.34 0.00 0.09 0.00 0.00 178.44 178.85 3i16 h ALA 296 N 2.32 0.96 -0.82 1.53 0.00 -0.43 -0.23 119.26 122.59 3i16 h ALA 296 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i16 h ALA 296 Cb 0.84 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3i16 h ALA 296 CO 0.00 -0.06 0.54 -1.35 0.00 0.00 0.00 179.25 178.39 3i16 h PRO 297 N 0.59 1.05 0.14 0.00 0.11 -1.77 0.08 132.00 132.19 3i16 h PRO 297 Ca 0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3i16 h PRO 297 Cb 0.37 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3i16 h PRO 297 CO -0.27 0.70 -0.07 1.25 -0.21 0.00 0.00 178.00 179.40 3i16 h HIS 298 N 1.09 -0.17 -0.71 0.65 2.76 -1.68 -3.33 115.15 113.75 3i16 h HIS 298 Ca 0.31 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3i16 h HIS 298 Cb -0.08 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 3i16 h HIS 298 CO -0.00 0.29 0.42 0.82 -1.30 0.00 0.00 177.93 178.17 3i16 h ILE 299 N -0.81 1.20 0.00 6.26 1.08 -0.95 -2.14 117.51 122.15 3i16 h ILE 299 Ca -0.02 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3i16 h ILE 299 Cb 0.54 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 3i16 h ILE 299 CO 0.03 0.21 0.00 -1.20 -0.69 0.00 0.00 178.15 176.50 3i16 n SER 300 N -4.39 0.00 0.00 1.72 7.64 0.00 -2.07 113.62 116.52 3i16 n SER 300 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3i16 n SER 300 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3i16 n SER 300 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i16 n GLU 302 N 0.66 0.00 -0.14 1.43 -0.58 -0.81 -1.63 120.64 119.58 3i16 n GLU 302 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3i16 n GLU 302 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3i16 n GLU 302 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i16 h ALA 303 N 0.00 0.52 -0.73 0.62 0.00 -1.29 -2.33 119.26 116.05 3i16 h ALA 303 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3i16 h ALA 303 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i16 h ALA 303 CO 0.00 0.16 0.22 1.25 0.00 0.00 0.00 179.25 180.88 3i16 h LEU 304 N 0.50 1.07 -1.36 0.00 5.85 -1.58 -0.98 115.31 118.81 3i16 h LEU 304 Ca 0.13 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i16 h LEU 304 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3i16 h LEU 304 CO -0.00 1.00 0.39 0.11 -0.34 0.00 0.00 178.44 179.60 3i16 h LYS 305 N 1.08 0.83 0.12 1.25 1.57 -1.82 -0.38 116.57 119.21 3i16 h LYS 305 Ca 0.23 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3i16 h LYS 305 Cb 0.32 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3i16 h LYS 305 CO -0.01 0.56 -0.07 0.78 -0.57 0.00 0.00 179.45 180.15 3i16 h GLY 306 N 0.86 -0.18 0.61 3.86 0.00 -0.72 -0.80 103.07 106.71 3i16 h GLY 306 Ca 0.23 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.71 3i16 h GLY 306 CO -0.05 -0.07 0.48 0.00 0.00 0.00 0.00 176.54 176.90 3i16 h ALA 307 N 0.70 1.14 -0.15 3.60 0.00 -0.68 -0.13 119.26 123.75 3i16 h ALA 307 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i16 h ALA 307 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i16 h ALA 307 CO 0.01 0.15 -0.03 0.82 0.00 0.00 0.00 179.25 180.21 3i16 h ILE 308 N 0.84 1.28 -0.61 0.00 2.04 -0.76 0.14 117.51 120.44 3i16 h ILE 308 Ca 0.38 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3i16 h ILE 308 Cb 0.28 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3i16 h ILE 308 CO -0.21 0.28 0.33 0.25 0.00 0.00 0.00 178.15 178.80 3i16 h LEU 309 N -0.02 0.49 -0.01 1.44 5.85 -1.03 -1.39 115.31 120.65 3i16 h LEU 309 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3i16 h LEU 309 Cb 0.44 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3i16 h LEU 309 CO 0.01 0.33 -0.08 0.00 -0.34 0.00 0.00 178.44 178.36 3i16 h SER 311 N -0.13 -0.91 -0.24 0.00 0.87 -0.43 -3.09 113.55 109.61 3i16 h SER 311 Ca 0.03 0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 3i16 h SER 311 Cb 0.18 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3i16 h SER 311 CO -0.09 -0.30 -0.36 -0.09 -0.53 0.00 0.00 176.83 175.47 3i16 h ARG 312 N -0.24 0.67 -1.38 2.24 9.65 -0.97 -1.79 114.38 122.57 3i16 h ARG 312 Ca 0.16 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 3i16 h ARG 312 Cb 0.50 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3i16 h ARG 312 CO -0.47 1.01 0.00 1.51 2.80 0.00 0.00 179.97 184.82 3i16 n ILE 313 N -4.24 0.31 0.00 1.20 3.06 -0.18 -0.78 119.36 118.73 3i16 n ILE 313 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 3i16 n ILE 313 Cb 0.51 -0.59 0.00 0.00 0.54 0.00 0.00 39.64 40.10 3i16 n ILE 313 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3i16 n GLU 315 N 0.71 0.00 -0.21 9.51 2.13 -0.67 0.02 120.64 132.13 3i16 n GLU 315 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 3i16 n GLU 315 Cb 0.17 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.27 3i16 n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i16 h LEU 316 N 0.00 0.61 -0.69 4.31 3.38 -1.22 0.78 115.31 122.48 3i16 h LEU 316 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i16 h LEU 316 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i16 h LEU 316 CO 0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3i16 n ALA 317 N -2.46 1.62 0.00 1.53 0.00 0.10 -4.88 120.51 116.43 3i16 n ALA 317 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3i16 n ALA 317 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i16 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i16 n GLY 318 N -0.09 1.27 3.85 0.00 0.00 0.27 -5.11 105.19 105.37 3i16 n GLY 318 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3i16 n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i16 s PHE 319 N -2.00 3.31 0.09 1.61 0.08 -1.25 -5.00 117.98 114.83 3i16 s PHE 319 Ca 0.00 0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 3i16 s PHE 319 Cb 0.00 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 3i16 s PHE 319 CO 0.00 0.54 1.03 -1.21 -0.10 0.00 0.00 175.22 175.48 3i16 s GLU 320 N -2.75 4.60 0.03 0.44 2.02 -1.24 -3.93 118.70 117.86 3i16 s GLU 320 Ca 0.32 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.86 3i16 s GLU 320 Cb -0.12 -3.37 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 3i16 s GLU 320 CO 0.25 0.05 0.01 1.33 0.02 0.00 0.00 175.26 176.92 3i16 n VAL 321 N 3.14 0.00 -0.35 2.63 0.24 -1.26 -0.31 118.33 122.42 3i16 n VAL 321 Ca 0.04 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.34 61.92 3i16 n VAL 321 Cb 0.49 0.04 0.26 0.00 -1.47 0.00 0.00 33.84 33.16 3i16 n VAL 321 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i16 n PRO 323 N -0.06 -3.82 -1.68 7.34 -0.04 -1.26 -5.00 135.00 130.48 3i16 n PRO 323 Ca -0.01 -1.12 -0.30 0.00 -0.04 0.00 0.00 63.50 62.03 3i16 n PRO 323 Cb 0.04 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 31.66 3i16 n PRO 323 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i16 s LYS 324 N -4.59 2.34 0.48 0.54 -0.14 -1.26 -4.86 119.74 112.25 3i16 s LYS 324 Ca 0.63 0.55 0.22 0.00 -1.36 0.00 0.00 55.97 56.02 3i16 s LYS 324 Cb -0.15 -1.95 1.22 0.00 -1.68 0.00 0.00 37.83 35.27 3i16 s LYS 324 CO 0.56 -1.42 2.01 0.10 -0.76 0.00 0.00 175.35 175.84 3i16 h TYR 325 N -0.94 0.00 -0.32 3.18 -0.00 -1.87 -3.08 116.97 113.93 3i16 h TYR 325 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3i16 h TYR 325 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 3i16 h TYR 325 CO 0.47 0.17 0.00 -0.40 -0.00 0.00 0.00 178.16 178.40 3i16 n ASP 326 N -3.85 3.86 -4.90 0.10 5.75 -1.26 -4.96 116.55 111.29 3i16 n ASP 326 Ca -0.02 -2.76 -0.28 0.00 -0.01 0.00 0.00 54.79 51.72 3i16 n ASP 326 Cb 0.27 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3i16 n ASP 326 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i16 s GLU 327 N -2.37 3.62 0.23 0.11 2.02 -1.17 -5.05 118.70 116.09 3i16 s GLU 327 Ca 0.39 0.10 -0.30 0.00 0.02 0.00 0.00 54.97 55.19 3i16 s GLU 327 Cb 0.30 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 3i16 s GLU 327 CO 0.12 0.06 1.17 0.15 0.02 0.00 0.00 175.26 176.77 3i16 s LYS 328 N -3.99 4.54 0.03 1.61 1.02 -1.26 -4.97 119.74 116.72 3i16 s LYS 328 Ca 0.46 1.87 0.07 0.00 0.02 0.00 0.00 55.97 58.38 3i16 s LYS 328 Cb -0.10 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3i16 s LYS 328 CO 0.34 0.02 -0.17 1.03 -0.92 0.00 0.00 175.35 175.65 3i16 s ARG 329 N -0.78 2.14 0.00 1.68 0.52 -1.26 -4.94 118.95 116.31 3i16 s ARG 329 Ca 0.49 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 3i16 s ARG 329 Cb -0.33 -2.22 0.06 0.00 0.52 0.00 0.00 34.95 32.98 3i16 s ARG 329 CO 0.39 0.55 1.02 0.45 0.02 0.00 0.00 175.30 177.73 3i16 n SER 330 N 1.60 2.11 -3.70 0.23 2.88 -1.26 -4.84 113.62 110.65 3i16 n SER 330 Ca -0.16 -1.94 -0.08 0.00 -1.33 0.00 0.00 58.87 55.36 3i16 n SER 330 Cb 0.52 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3i16 n SER 330 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3i16 s ASP 331 N -0.94 -0.12 0.00 -3.46 1.47 -1.26 -4.12 116.67 108.24 3i16 s ASP 331 Ca 0.04 -0.82 0.25 0.00 1.18 0.00 0.00 52.55 53.20 3i16 s ASP 331 Cb 0.02 0.71 0.70 0.00 -0.34 0.00 0.00 42.92 44.01 3i16 s ASP 331 CO 0.03 -1.36 1.54 2.30 0.68 0.00 0.00 175.17 178.36 3i16 n ILE 332 N -0.46 0.12 -2.86 2.11 -5.35 -1.19 -4.96 119.36 106.78 3i16 n ILE 332 Ca -0.04 -0.40 -0.39 0.00 -0.27 0.00 0.00 62.75 61.65 3i16 n ILE 332 Cb 0.60 0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 39.19 3i16 n ILE 332 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i16 s ILE 333 N -1.88 4.23 -0.06 7.28 1.01 -1.26 -4.51 121.20 126.01 3i16 s ILE 333 Ca 0.34 1.86 0.03 0.00 0.00 0.00 0.00 60.65 62.89 3i16 s ILE 333 Cb 0.20 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3i16 s ILE 333 CO 0.31 0.44 -0.16 -1.58 0.00 0.00 0.00 174.94 173.94 3i16 s GLN 334 N -1.35 2.00 -0.06 2.79 2.00 0.25 -4.69 119.66 120.60 3i16 s GLN 334 Ca 0.41 -0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 53.18 3i16 s GLN 334 Cb -0.23 -1.63 -0.03 0.00 0.80 0.00 0.00 33.01 31.91 3i16 s GLN 334 CO 0.28 0.13 0.02 -1.12 -0.50 0.00 0.00 175.29 174.10 3i16 s SER 335 N 0.39 5.33 -0.07 6.67 0.01 -1.26 -0.54 113.70 124.23 3i16 s SER 335 Ca -0.12 0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 3i16 s SER 335 Cb -0.15 -1.49 0.03 0.00 0.21 0.00 0.00 66.02 64.61 3i16 s SER 335 CO 0.04 0.35 -0.02 -0.63 0.41 0.00 0.00 173.24 173.39 3i16 s ILE 336 N -0.97 0.47 -0.34 1.44 1.01 -0.60 -4.45 121.20 117.75 3i16 s ILE 336 Ca 0.16 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 3i16 s ILE 336 Cb -0.11 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 3i16 s ILE 336 CO 0.05 0.26 0.42 -0.75 0.00 0.00 0.00 174.94 174.93 3i16 s LYS 337 N 1.69 3.60 0.09 2.79 2.20 0.58 -1.14 119.74 129.54 3i16 s LYS 337 Ca 0.01 -0.30 0.17 0.00 -0.36 0.00 0.00 55.97 55.49 3i16 s LYS 337 Cb -0.13 -3.80 -0.11 0.00 -1.51 0.00 0.00 37.83 32.28 3i16 s LYS 337 CO -0.04 -0.57 0.89 0.74 -0.36 0.00 0.00 175.35 176.01 3i16 h PHE 338 N 8.45 0.00 -5.24 4.03 0.04 -0.97 -3.30 116.94 119.94 3i16 h PHE 338 Ca -0.29 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.09 3i16 h PHE 338 Cb 1.14 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 3i16 h PHE 338 CO 0.70 0.50 -0.58 0.09 -0.60 0.00 0.00 178.31 178.43 3i16 n ASN 339 N -2.88 -4.35 -3.38 2.17 3.02 0.18 -4.91 115.26 105.11 3i16 n ASN 339 Ca -0.08 -0.38 0.02 0.00 -0.03 0.00 0.00 54.58 54.11 3i16 n ASN 339 Cb 0.80 -3.57 -0.04 0.00 -0.61 0.00 0.00 39.78 36.36 3i16 n ASN 339 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i16 s ASP 340 N -2.74 -0.44 0.11 6.41 -1.08 -1.26 -5.02 116.67 112.66 3i16 s ASP 340 Ca 0.39 0.61 -0.19 0.00 -0.52 0.00 0.00 52.55 52.83 3i16 s ASP 340 Cb -0.20 1.46 -0.06 0.00 -1.46 0.00 0.00 42.92 42.66 3i16 s ASP 340 CO 0.48 -0.09 1.71 0.50 0.52 0.00 0.00 175.17 178.29 3i16 h LYS 341 N 7.19 0.33 -0.59 4.34 3.64 -1.93 -2.56 116.57 126.99 3i16 h LYS 341 Ca -0.16 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 3i16 h LYS 341 Cb 1.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3i16 h LYS 341 CO 0.09 0.30 0.15 -0.44 -2.27 0.00 0.00 179.45 177.28 3i16 h ASP 342 N 0.27 0.89 -0.75 4.20 3.32 -1.98 -0.55 116.42 121.81 3i16 h ASP 342 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3i16 h ASP 342 Cb 0.07 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3i16 h ASP 342 CO -0.01 0.89 0.45 0.11 -1.72 0.00 0.00 179.24 178.97 3i16 h LYS 343 N 0.85 1.03 -0.29 3.56 1.57 -1.93 0.10 116.57 121.46 3i16 h LYS 343 Ca 0.19 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3i16 h LYS 343 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3i16 h LYS 343 CO 0.00 0.73 -0.09 1.25 -0.57 0.00 0.00 179.45 180.76 3i16 h LEU 344 N 1.05 0.59 -0.09 2.94 6.46 -1.14 -1.67 115.31 123.45 3i16 h LEU 344 Ca 0.27 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 3i16 h LEU 344 Cb -0.04 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 3i16 h LEU 344 CO -0.05 0.84 0.02 0.40 -0.62 0.00 0.00 178.44 179.03 3i16 h ILE 345 N 0.34 1.21 -0.61 4.05 2.04 -0.80 -2.77 117.51 120.97 3i16 h ILE 345 Ca 0.07 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.33 3i16 h ILE 345 Cb 0.59 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3i16 h ILE 345 CO 0.03 0.18 0.36 -0.33 0.00 0.00 0.00 178.15 178.40 3i16 h GLU 346 N -0.07 0.68 -0.46 2.37 4.39 -0.81 -1.41 114.58 119.27 3i16 h GLU 346 Ca 0.03 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3i16 h GLU 346 Cb 0.27 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3i16 h GLU 346 CO 0.00 0.45 0.23 0.35 -1.16 0.00 0.00 179.01 178.88 3i16 h PHE 347 N 0.70 0.42 -0.76 4.33 3.57 -1.30 -0.10 116.94 123.79 3i16 h PHE 347 Ca 0.26 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3i16 h PHE 347 Cb 0.08 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3i16 h PHE 347 CO -0.07 0.21 0.37 0.00 -2.23 0.00 0.00 178.31 176.59 3i16 h LYS 349 N 1.08 0.70 -0.25 0.00 1.57 -0.62 -1.10 116.57 117.94 3i16 h LYS 349 Ca 0.26 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3i16 h LYS 349 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3i16 h LYS 349 CO -0.03 0.72 0.14 0.78 -0.57 0.00 0.00 179.45 180.48 3i16 h GLY 350 N 0.94 0.38 0.96 3.86 0.00 -0.40 -1.13 103.07 107.67 3i16 h GLY 350 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3i16 h GLY 350 CO 0.02 0.16 0.34 -2.22 0.00 0.00 0.00 176.54 174.84 3i16 h ILE 351 N 0.29 1.11 -0.40 2.60 1.08 -0.85 -1.64 117.51 119.71 3i16 h ILE 351 Ca 0.09 -0.24 0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3i16 h ILE 351 Cb 0.07 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 3i16 h ILE 351 CO -0.01 0.13 0.09 -0.61 -0.69 0.00 0.00 178.15 177.05 3i16 h GLN 352 N 0.69 0.21 0.00 2.37 5.75 -0.98 -1.03 115.11 122.12 3i16 h GLN 352 Ca 0.20 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3i16 h GLN 352 Cb -0.04 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3i16 h GLN 352 CO -0.06 0.14 0.00 0.25 -2.65 0.00 0.00 178.83 176.51 3i16 n THR 353 N -5.09 0.97 0.52 2.39 -2.24 -0.45 -1.99 114.28 108.39 3i16 n THR 353 Ca 0.03 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 3i16 n THR 353 Cb 0.18 -1.09 0.27 0.00 -2.10 0.00 0.00 70.33 67.59 3i16 n THR 353 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i16 n GLY 354 N -0.07 1.34 3.87 3.38 0.00 -0.40 -4.94 105.19 108.36 3i16 n GLY 354 Ca 0.03 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 3i16 n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i16 s SER 355 N -1.39 6.66 0.19 1.61 0.01 -0.84 -4.73 113.70 115.21 3i16 s SER 355 Ca 0.37 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.60 3i16 s SER 355 Cb 0.21 -2.24 0.10 0.00 0.21 0.00 0.00 66.02 64.30 3i16 s SER 355 CO 0.29 -0.05 1.46 1.55 0.41 0.00 0.00 173.24 176.89 3i16 h PRO 356 N 2.67 0.29 -5.88 12.44 0.13 -1.89 -3.36 132.00 136.40 3i16 h PRO 356 Ca -0.47 -0.24 -0.68 0.00 -0.87 0.00 0.00 66.00 63.74 3i16 h PRO 356 Cb 1.17 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 3i16 h PRO 356 CO 0.69 0.90 -0.58 0.42 -0.23 0.00 0.00 178.00 179.19 3i16 s ILE 357 N -3.55 4.68 -1.27 -3.56 -1.09 -1.24 -4.55 121.20 110.62 3i16 s ILE 357 Ca -0.04 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.24 3i16 s ILE 357 Cb 0.11 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3i16 s ILE 357 CO 0.82 0.60 0.15 0.47 -1.23 0.00 0.00 174.94 175.75 3i16 n ASP 358 N 2.06 -4.47 -0.29 3.58 8.00 -1.26 -4.21 116.55 119.96 3i16 n ASP 358 Ca -0.19 0.01 0.05 0.00 0.71 0.00 0.00 54.79 55.37 3i16 n ASP 358 Cb 0.54 -3.74 0.19 0.00 -0.02 0.00 0.00 41.12 38.09 3i16 n ASP 358 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3i16 h SER 359 N -0.32 0.60 0.63 -2.24 4.64 -1.75 -2.04 113.55 113.08 3i16 h SER 359 Ca -0.38 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3i16 h SER 359 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3i16 h SER 359 CO 0.44 0.31 0.00 2.22 -0.87 0.00 0.00 176.83 178.93 3i16 n PHE 360 N -4.80 0.15 -2.52 4.77 1.16 -1.26 -3.90 117.46 111.05 3i16 n PHE 360 Ca 0.15 0.06 -0.39 0.00 -1.87 0.00 0.00 57.45 55.40 3i16 n PHE 360 Cb 0.35 -0.59 -0.04 0.00 -1.61 0.00 0.00 39.48 37.59 3i16 n PHE 360 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3i16 s VAL 361 N -3.05 3.62 0.09 1.97 1.01 -0.77 -4.96 120.40 118.30 3i16 s VAL 361 Ca 0.08 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 3i16 s VAL 361 Cb 0.11 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3i16 s VAL 361 CO 0.33 0.21 1.78 -0.55 0.00 0.00 0.00 175.10 176.88 3i16 s SER 362 N -1.20 6.50 -0.35 3.32 0.15 -1.26 -4.94 113.70 115.92 3i16 s SER 362 Ca 0.50 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 59.72 3i16 s SER 362 Cb -0.27 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.52 3i16 s SER 362 CO 0.35 -0.97 0.12 0.00 1.20 0.00 0.00 173.24 173.93 3i16 s GLU 364 N 1.39 1.00 0.50 0.00 0.41 -1.26 -4.83 118.70 115.92 3i16 s GLU 364 Ca -0.01 -1.18 -0.20 0.00 -0.41 0.00 0.00 54.97 53.16 3i16 s GLU 364 Cb -0.20 0.33 -0.07 0.00 -1.78 0.00 0.00 34.13 32.41 3i16 s GLU 364 CO 0.02 -0.33 1.10 -1.25 -0.49 0.00 0.00 175.26 174.31 3i16 s PRO 365 N -3.96 3.62 0.09 0.39 0.04 -1.26 -4.67 135.00 129.24 3i16 s PRO 365 Ca 0.15 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 3i16 s PRO 365 Cb 0.05 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3i16 s PRO 365 CO -0.03 -0.62 0.01 -1.58 0.04 0.00 0.00 177.00 174.83 3i16 s TRP 366 N -1.81 0.67 0.36 0.56 0.23 0.26 -4.94 118.94 114.27 3i16 s TRP 366 Ca 0.69 -1.14 -0.09 0.00 -2.03 0.00 0.00 56.10 53.53 3i16 s TRP 366 Cb -0.22 -0.43 -0.06 0.00 0.03 0.00 0.00 33.47 32.80 3i16 s TRP 366 CO 0.25 -0.45 0.69 -0.51 0.96 0.00 0.00 176.95 177.90 3i16 s ASP 367 N -2.98 6.50 0.26 2.95 -0.00 -1.26 -1.01 116.67 121.13 3i16 s ASP 367 Ca 0.15 0.98 -0.08 0.00 -0.00 0.00 0.00 52.55 53.60 3i16 s ASP 367 Cb 0.08 -2.26 0.45 0.00 -0.00 0.00 0.00 42.92 41.18 3i16 s ASP 367 CO -0.05 -0.32 1.59 0.71 -0.00 0.00 0.00 175.17 177.10 3i16 h THR 372 N 1.21 0.14 -3.06 -1.27 1.35 -2.07 -3.48 112.91 105.72 3i16 h THR 372 Ca -0.47 -0.01 -0.63 0.00 -0.55 0.00 0.00 66.41 64.75 3i16 h THR 372 Cb 1.19 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 3i16 h THR 372 CO 0.65 0.00 -0.57 -1.81 -0.25 0.00 0.00 175.52 173.54 3i16 s ASP 373 N -5.21 5.78 0.63 5.36 1.01 -1.26 -5.11 116.67 117.87 3i16 s ASP 373 Ca -0.14 0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 3i16 s ASP 373 Cb 0.25 -1.63 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 3i16 s ASP 373 CO 0.77 0.16 1.08 -1.10 0.21 0.00 0.00 175.17 176.29 3i16 s GLN 374 N -2.48 3.07 0.15 8.23 -0.21 -1.26 -4.82 119.66 122.34 3i16 s GLN 374 Ca 0.31 1.28 0.09 0.00 0.02 0.00 0.00 55.36 57.06 3i16 s GLN 374 Cb -0.12 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3i16 s GLN 374 CO 0.24 -1.02 -0.19 0.14 -2.12 0.00 0.00 175.29 172.34 3i16 s VAL 375 N -2.42 1.83 0.42 1.09 -7.23 -0.18 0.52 120.40 114.44 3i16 s VAL 375 Ca 0.65 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 3i16 s VAL 375 Cb -0.18 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 3i16 s VAL 375 CO 0.39 -0.24 0.15 -0.51 -0.31 0.00 0.00 175.10 174.59 3i16 s ILE 376 N -1.79 0.51 -0.17 -0.62 2.07 -0.72 -0.58 121.20 119.89 3i16 s ILE 376 Ca 0.14 -2.00 -0.08 0.00 -1.41 0.00 0.00 60.65 57.30 3i16 s ILE 376 Cb -0.07 -2.30 0.07 0.00 0.13 0.00 0.00 42.46 40.29 3i16 s ILE 376 CO 0.06 0.00 0.39 0.00 -1.91 0.00 0.00 174.94 173.48 3i16 s ALA 378 N -3.19 -1.01 -0.27 1.50 0.00 0.21 -1.51 121.76 117.49 3i16 s ALA 378 Ca 0.23 1.43 -0.18 0.00 0.00 0.00 0.00 51.96 53.44 3i16 s ALA 378 Cb 0.02 -1.07 0.08 0.00 0.00 0.00 0.00 23.12 22.14 3i16 s ALA 378 CO 0.15 -0.48 0.68 0.00 0.00 0.00 0.00 175.76 176.11 3i16 s ALA 379 N 1.94 -1.81 -0.46 0.00 0.00 -1.26 -1.74 121.76 118.43 3i16 s ALA 379 Ca -0.06 2.28 0.03 0.00 0.00 0.00 0.00 51.96 54.21 3i16 s ALA 379 Cb -0.10 -1.34 0.19 0.00 0.00 0.00 0.00 23.12 21.88 3i16 s ALA 379 CO -0.12 -0.36 0.82 0.20 0.00 0.00 0.00 175.76 176.29 3i16 s GLY 380 N 1.31 -1.43 0.25 0.00 0.00 -1.26 -4.88 107.32 101.31 3i16 s GLY 380 Ca -0.07 -0.07 0.12 0.00 0.00 0.00 0.00 44.72 44.69 3i16 s GLY 380 CO -0.14 3.83 -0.21 0.00 0.00 0.00 0.00 173.10 176.58 3i16 s ALA 381 N 1.02 2.68 0.17 3.20 0.00 -1.26 -3.62 121.76 123.94 3i16 s ALA 381 Ca 0.27 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 3i16 s ALA 381 Cb 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.92 3i16 s ALA 381 CO -0.07 0.33 1.53 0.74 0.00 0.00 0.00 175.76 178.29 3i16 h PHE 382 N 2.61 0.96 -3.44 0.00 0.04 -1.97 -3.42 116.94 111.71 3i16 h PHE 382 Ca -0.42 -0.28 -0.66 0.00 2.80 0.00 0.00 57.97 59.41 3i16 h PHE 382 Cb 1.24 -0.20 -0.28 0.00 2.20 0.00 0.00 35.95 38.91 3i16 h PHE 382 CO 0.76 1.06 -0.71 0.42 -0.60 0.00 0.00 178.31 179.24 3i16 s ILE 383 N -4.35 3.40 0.02 -0.55 -1.09 -1.26 -5.06 121.20 112.31 3i16 s ILE 383 Ca -0.10 -0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 57.44 3i16 s ILE 383 Cb 0.12 -2.59 -0.10 0.00 -1.58 0.00 0.00 42.46 38.31 3i16 s ILE 383 CO 0.86 0.36 1.94 1.67 -1.23 0.00 0.00 174.94 178.54 3i16 n GLN 384 N 4.79 2.72 -0.79 2.79 7.27 -1.26 -1.60 117.38 131.29 3i16 n GLN 384 Ca -0.18 0.99 0.00 0.00 0.07 0.00 0.00 57.00 57.89 3i16 n GLN 384 Cb 0.50 -2.92 0.00 0.00 2.41 0.00 0.00 30.24 30.23 3i16 n GLN 384 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i16 n GLY 385 N 4.48 0.85 3.71 1.69 0.00 -1.26 -5.02 105.19 109.65 3i16 n GLY 385 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3i16 n GLY 385 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i16 n SER 386 N 0.00 3.87 0.01 1.61 2.88 -0.63 -4.90 113.62 116.46 3i16 n SER 386 Ca 0.00 1.07 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 3i16 n SER 386 Cb 0.00 -1.56 0.15 0.00 -0.75 0.00 0.00 64.21 62.06 3i16 n SER 386 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i16 n SER 387 N 3.76 0.61 0.09 -3.46 7.64 -0.70 -3.78 113.62 117.77 3i16 n SER 387 Ca 0.16 -0.28 0.12 0.00 1.01 0.00 0.00 58.87 59.88 3i16 n SER 387 Cb 0.34 0.43 0.24 0.00 -1.01 0.00 0.00 64.21 64.21 3i16 n SER 387 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3i16 h ILE 388 N 0.00 0.00 -3.46 0.44 6.09 -1.84 -3.23 117.51 115.51 3i16 h ILE 388 Ca 0.00 -0.54 -0.53 0.00 -1.37 0.00 0.00 64.86 62.41 3i16 h ILE 388 Cb 0.58 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 3i16 h ILE 388 CO 0.00 0.00 -0.05 -1.61 -3.07 0.00 0.00 178.15 173.42 3i16 s GLU 389 N -3.16 3.93 -0.00 2.19 2.02 -1.25 -0.37 118.70 122.06 3i16 s GLU 389 Ca 0.07 0.46 -0.35 0.00 0.02 0.00 0.00 54.97 55.17 3i16 s GLU 389 Cb 0.12 -2.72 -0.14 0.00 0.10 0.00 0.00 34.13 31.50 3i16 s GLU 389 CO 0.68 0.35 1.69 -0.11 0.02 0.00 0.00 175.26 177.89 3i16 n LEU 390 N 0.20 2.98 -3.53 1.80 7.94 -1.26 -4.25 117.00 120.88 3i16 n LEU 390 Ca -0.01 1.04 -0.12 0.00 -1.11 0.00 0.00 56.01 55.81 3i16 n LEU 390 Cb 0.52 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.10 3i16 n LEU 390 CO 0.43 -0.30 0.29 -0.94 -1.11 0.00 0.00 177.39 175.77 3i16 s SER 391 N 2.48 -0.43 -0.04 1.96 1.04 0.04 -4.47 113.70 114.29 3i16 s SER 391 Ca 0.88 -0.06 -0.09 0.00 0.48 0.00 0.00 55.95 57.16 3i16 s SER 391 Cb -0.77 0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3i16 s SER 391 CO 0.48 -0.87 0.21 0.00 0.98 0.00 0.00 173.24 174.04 3i16 s ALA 392 N -3.44 -0.52 0.03 5.32 0.00 -0.71 -1.54 121.76 120.90 3i16 s ALA 392 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 3i16 s ALA 392 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3i16 s ALA 392 CO -0.10 -0.18 0.11 0.16 0.00 0.00 0.00 175.76 175.76 3i16 s ASP 393 N -0.77 0.13 -0.27 0.00 -4.77 -0.24 0.66 116.67 111.41 3i16 s ASP 393 Ca -0.09 -0.44 -0.15 0.00 -3.30 0.00 0.00 52.55 48.58 3i16 s ASP 393 Cb -0.05 0.22 0.08 0.00 -1.09 0.00 0.00 42.92 42.09 3i16 s ASP 393 CO 0.02 -0.48 0.66 0.00 0.70 0.00 0.00 175.17 176.07 3i16 s ALA 394 N -2.28 -1.81 0.31 2.11 0.00 -0.57 -0.61 121.76 118.91 3i16 s ALA 394 Ca -0.08 2.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.94 3i16 s ALA 394 Cb -0.03 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.59 3i16 s ALA 394 CO -0.03 -0.41 1.10 -2.14 0.00 0.00 0.00 175.76 174.28 3i16 s PRO 395 N 1.71 4.49 -0.78 0.00 0.02 -1.26 -1.75 135.00 137.43 3i16 s PRO 395 Ca -0.10 1.76 -0.23 0.00 0.02 0.00 0.00 61.00 62.45 3i16 s PRO 395 Cb -0.06 -3.02 0.06 0.00 0.02 0.00 0.00 34.50 31.51 3i16 s PRO 395 CO -0.19 0.09 1.16 0.42 -0.33 0.00 0.00 177.00 178.15 3i16 s ILE 396 N -1.28 4.14 -0.07 2.83 -1.09 0.19 -4.67 121.20 121.24 3i16 s ILE 396 Ca 0.48 -0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 3i16 s ILE 396 Cb -0.30 -4.83 0.11 0.00 -1.58 0.00 0.00 42.46 35.86 3i16 s ILE 396 CO 0.38 -1.66 0.96 0.00 -1.23 0.00 0.00 174.94 173.39 3i16 s ARG 397 N 4.50 0.69 0.38 2.79 1.70 -1.26 -4.44 118.95 123.31 3i16 s ARG 397 Ca 0.31 -0.17 -0.27 0.00 -0.47 0.00 0.00 55.73 55.14 3i16 s ARG 397 Cb -0.10 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.49 3i16 s ARG 397 CO 0.05 -0.28 1.28 0.39 -1.08 0.00 0.00 175.30 175.66 3i16 n GLU 398 N 0.00 2.05 -0.69 3.89 -0.58 -1.26 0.02 120.64 124.08 3i16 n GLU 398 Ca -0.08 0.72 -0.05 0.00 -0.42 0.00 0.00 57.16 57.34 3i16 n GLU 398 Cb 0.60 -2.36 0.20 0.00 -0.57 0.00 0.00 31.44 29.31 3i16 n GLU 398 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i16 n PRO 399 N 0.33 2.74 -2.91 3.49 -0.04 -1.26 -4.91 135.00 132.45 3i16 n PRO 399 Ca 0.05 -2.01 -0.02 0.00 -0.04 0.00 0.00 63.50 61.48 3i16 n PRO 399 Cb 0.38 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3i16 n PRO 399 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i16 n TYR 400 N -0.05 -2.95 -3.96 0.54 4.01 0.10 -0.64 117.16 114.20 3i16 n TYR 400 Ca 0.28 1.15 -0.35 0.00 -0.16 0.00 0.00 57.90 58.82 3i16 n TYR 400 Cb 1.05 -3.96 -0.09 0.00 -0.31 0.00 0.00 39.34 36.04 3i16 n TYR 400 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3i16 s ILE 401 N -2.85 4.95 0.03 -0.72 1.01 -1.26 -0.62 121.20 121.74 3i16 s ILE 401 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3i16 s ILE 401 Cb -0.02 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3i16 s ILE 401 CO 0.71 0.48 -0.04 0.00 0.00 0.00 0.00 174.94 176.10 3i16 s ALA 402 N 0.13 3.14 -0.21 9.38 0.00 -0.30 -4.38 121.76 129.52 3i16 s ALA 402 Ca 0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3i16 s ALA 402 Cb -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3i16 s ALA 402 CO 0.00 0.64 -0.11 0.71 0.00 0.00 0.00 175.76 177.01 3i16 s TYR 403 N -1.10 2.90 -0.07 0.00 2.02 0.22 -1.56 117.35 119.74 3i16 s TYR 403 Ca 0.20 -1.27 0.03 0.00 -0.37 0.00 0.00 57.07 55.66 3i16 s TYR 403 Cb -0.11 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3i16 s TYR 403 CO 0.11 -0.67 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.10 3i16 s LEU 404 N 1.39 2.64 0.04 -1.29 1.98 0.30 -1.08 118.68 122.66 3i16 s LEU 404 Ca 0.05 -0.27 -0.26 0.00 -2.89 0.00 0.00 54.13 50.76 3i16 s LEU 404 Cb -0.14 -1.54 0.07 0.00 0.66 0.00 0.00 46.19 45.23 3i16 s LEU 404 CO -0.07 0.29 0.62 0.00 -1.89 0.00 0.00 176.35 175.30 3i16 s GLN 405 N -0.40 1.13 0.00 1.98 0.00 -0.59 -0.58 119.66 121.19 3i16 s GLN 405 Ca 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 55.36 55.31 3i16 s GLN 405 Cb -0.12 0.52 0.00 0.00 0.00 0.00 0.00 33.01 33.41 3i16 s GLN 405 CO 0.02 -0.42 0.00 0.41 0.00 0.00 0.00 175.29 175.30 3i16 n GLY 406 N 0.37 0.56 0.00 2.60 0.00 -1.22 -0.78 105.19 106.72 3i16 n GLY 406 Ca -0.18 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3i16 n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 407 N 0.67 1.60 0.37 -0.02 0.00 0.51 -4.29 105.19 104.03 3i16 n GLY 407 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3i16 n GLY 407 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i16 h LEU 408 N 0.00 0.54 -8.47 0.99 3.38 -1.90 -3.03 115.31 106.81 3i16 h LEU 408 Ca 0.00 0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.57 3i16 h LEU 408 Cb 0.00 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 40.46 3i16 h LEU 408 CO 0.00 0.29 -0.78 0.42 0.09 0.00 0.00 178.44 178.46 3i16 s THR 409 N -5.56 1.22 0.24 0.22 -4.23 -1.26 -4.83 115.64 101.44 3i16 s THR 409 Ca -0.09 -1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 3i16 s THR 409 Cb 0.21 -1.20 0.23 0.00 1.34 0.00 0.00 72.50 73.08 3i16 s THR 409 CO 0.78 -0.23 1.90 0.15 -0.54 0.00 0.00 174.62 176.67 3i16 h PHE 410 N 4.15 1.13 -0.94 3.99 3.57 -1.79 -2.32 116.94 124.72 3i16 h PHE 410 Ca -0.41 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.21 3i16 h PHE 410 Cb 1.19 -0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 3i16 h PHE 410 CO 0.63 0.67 0.58 -0.44 -2.23 0.00 0.00 178.31 177.53 3i16 h ASP 411 N 1.19 0.87 -0.11 0.41 3.32 -1.96 0.14 116.42 120.27 3i16 h ASP 411 Ca 0.36 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 3i16 h ASP 411 Cb -0.05 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3i16 h ASP 411 CO -0.10 0.50 0.01 -0.74 -1.72 0.00 0.00 179.24 177.18 3i16 h HIS 412 N 0.97 0.21 -0.57 4.55 2.76 -1.83 0.33 115.15 121.56 3i16 h HIS 412 Ca 0.45 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.61 3i16 h HIS 412 Cb 0.37 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 3i16 h HIS 412 CO -0.02 0.41 0.35 0.00 -1.30 0.00 0.00 177.93 177.37 3i16 h ALA 413 N 0.77 0.74 -0.04 5.26 0.00 -1.03 -1.35 119.26 123.61 3i16 h ALA 413 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i16 h ALA 413 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i16 h ALA 413 CO 0.00 0.08 -0.12 -0.22 0.00 0.00 0.00 179.25 179.00 3i16 h LYS 414 N 0.69 -0.17 -0.64 0.00 3.64 -0.61 -1.18 116.57 118.30 3i16 h LYS 414 Ca 0.23 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 3i16 h LYS 414 Cb 0.02 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3i16 h LYS 414 CO -0.10 -0.11 0.36 0.82 -2.27 0.00 0.00 179.45 178.15 3i16 h ILE 415 N -0.18 0.98 -0.73 2.00 2.04 -0.47 -1.19 117.51 119.97 3i16 h ILE 415 Ca 0.06 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3i16 h ILE 415 Cb 0.25 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3i16 h ILE 415 CO -0.15 0.12 0.26 1.23 0.00 0.00 0.00 178.15 179.62 3i16 h GLY 416 N 0.67 1.20 0.95 5.37 0.00 -0.78 -1.20 103.07 109.29 3i16 h GLY 416 Ca 0.28 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3i16 h GLY 416 CO -0.17 0.64 0.13 -2.22 0.00 0.00 0.00 176.54 174.92 3i16 h ILE 417 N 1.06 1.11 -0.20 2.60 2.04 -0.71 -0.32 117.51 123.09 3i16 h ILE 417 Ca 0.24 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3i16 h ILE 417 Cb 0.26 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3i16 h ILE 417 CO -0.01 0.10 -0.22 -0.07 0.00 0.00 0.00 178.15 177.95 3i16 h LEU 418 N 0.27 0.35 -0.17 1.44 3.38 -0.98 0.29 115.31 119.88 3i16 h LEU 418 Ca 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3i16 h LEU 418 Cb 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i16 h LEU 418 CO -0.01 0.58 -0.06 0.40 0.09 0.00 0.00 178.44 179.44 3i16 h ILE 419 N 0.32 1.30 0.60 1.22 2.04 -0.99 -2.77 117.51 119.23 3i16 h ILE 419 Ca 0.05 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3i16 h ILE 419 Cb 0.57 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3i16 h ILE 419 CO 0.04 0.32 -0.29 0.00 0.00 0.00 0.00 178.15 178.22 3i16 h ALA 420 N 0.70 -0.80 -0.38 1.87 0.00 -0.75 -3.01 119.26 116.88 3i16 h ALA 420 Ca 0.04 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i16 h ALA 420 Cb 0.52 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3i16 h ALA 420 CO 0.02 -0.89 0.26 1.25 0.00 0.00 0.00 179.25 179.89 3i16 h LEU 421 N -0.92 0.17 -1.89 0.00 5.85 -1.06 -1.60 115.31 115.86 3i16 h LEU 421 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i16 h LEU 421 Cb 0.65 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3i16 h LEU 421 CO 0.13 0.11 -0.00 0.28 -0.34 0.00 0.00 178.44 178.62 3i16 h SER 422 N 0.19 0.00 1.17 1.25 0.02 -1.36 0.18 113.55 115.01 3i16 h SER 422 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3i16 h SER 422 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i16 h SER 422 CO -0.03 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.20 3i16 n ARG 423 N -3.10 0.21 0.00 3.45 1.74 -0.60 -4.32 116.66 114.04 3i16 n ARG 423 Ca -0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3i16 n ARG 423 Cb 0.24 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3i16 n ARG 423 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i16 n ILE 424 N -2.17 0.00 -3.36 0.55 -5.35 -0.76 -4.96 119.36 103.31 3i16 n ILE 424 Ca 0.05 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.13 3i16 n ILE 424 Cb 0.35 -0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 37.68 3i16 n ILE 424 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i16 s VAL 425 N -1.85 5.14 -2.21 7.28 1.01 0.56 -5.15 120.40 125.19 3i16 s VAL 425 Ca 0.00 0.41 0.18 0.00 0.00 0.00 0.00 61.98 62.57 3i16 s VAL 425 Cb 0.00 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.74 3i16 s VAL 425 CO 0.00 0.03 1.06 0.29 0.00 0.00 0.00 175.10 176.48