#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nir h ALA 6 N 0.00 -0.02 0.00 7.82 0.00 -2.05 -2.16 119.26 122.85 1nir h ALA 6 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nir h ALA 6 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nir h ALA 6 CO 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 179.25 178.65 1nir h ALA 7 N 0.82 1.12 -0.22 0.00 0.00 -2.04 -1.44 119.26 117.50 1nir h ALA 7 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1nir h ALA 7 Cb 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nir h ALA 7 CO 0.00 0.20 -0.57 0.93 0.00 0.00 0.00 179.25 179.81 1nir h GLU 8 N 0.00 0.68 0.00 0.00 5.08 -1.89 -2.54 114.58 115.90 1nir h GLU 8 Ca -0.00 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1nir h GLU 8 Cb 0.54 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1nir h GLU 8 CO 0.02 1.07 -0.51 1.96 -1.00 0.00 0.00 179.01 180.55 1nir h GLN 9 N 0.52 0.00 -0.44 2.33 1.08 -1.05 -2.64 115.11 114.91 1nir h GLN 9 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1nir h GLN 9 Cb 1.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1nir h GLN 9 CO 0.12 0.48 0.15 -0.92 -0.95 0.00 0.00 178.83 177.71 1nir h TYR 10 N 0.00 0.69 -0.74 2.96 3.20 -1.17 -2.87 116.97 119.04 1nir h TYR 10 Ca -0.01 -0.06 -0.26 0.00 3.14 0.00 0.00 58.73 61.54 1nir h TYR 10 Cb 1.38 -0.20 -0.15 0.00 1.54 0.00 0.00 36.73 39.29 1nir h TYR 10 CO 0.00 0.61 0.30 1.04 -1.64 0.00 0.00 178.16 178.47 1nir n GLN 11 N -4.58 3.34 0.06 1.82 6.02 -0.97 -4.60 117.38 118.47 1nir n GLN 11 Ca 0.00 -3.08 -0.00 0.00 -0.01 0.00 0.00 57.00 53.91 1nir n GLN 11 Cb 0.17 -2.17 -0.05 0.00 1.02 0.00 0.00 30.24 29.20 1nir n GLN 11 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1nir h GLY 12 N 2.26 0.00 -1.54 1.08 0.00 -1.23 -3.48 103.07 100.16 1nir h GLY 12 Ca 0.31 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.12 1nir h GLY 12 CO 0.76 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.30 1nir n ALA 13 N -2.35 -1.21 -1.75 3.60 0.00 -1.26 -4.96 120.51 112.59 1nir n ALA 13 Ca -0.06 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 1nir n ALA 13 Cb 0.82 -2.09 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1nir n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nir s ALA 14 N -2.48 2.63 0.62 0.00 0.00 -1.26 -5.01 121.76 116.26 1nir s ALA 14 Ca 0.65 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.32 1nir s ALA 14 Cb -0.24 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1nir s ALA 14 CO 0.60 -0.94 1.11 0.45 0.00 0.00 0.00 175.76 176.98 1nir s SER 15 N -1.76 5.34 0.22 0.00 0.15 -1.26 -4.91 113.70 111.47 1nir s SER 15 Ca 0.74 2.03 0.25 0.00 0.70 0.00 0.00 55.95 59.67 1nir s SER 15 Cb -0.26 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.39 1nir s SER 15 CO 0.30 -1.47 1.75 0.00 1.20 0.00 0.00 173.24 175.01 1nir n ALA 16 N -2.06 1.99 -1.98 5.45 0.00 -1.26 -4.78 120.51 117.86 1nir n ALA 16 Ca 0.11 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1nir n ALA 16 Cb 0.52 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1nir n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nir s VAL 17 N -3.19 2.79 -0.30 0.00 1.01 -1.26 -4.98 120.40 114.47 1nir s VAL 17 Ca 0.08 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 1nir s VAL 17 Cb 0.11 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1nir s VAL 17 CO 0.50 0.05 0.83 -0.62 0.00 0.00 0.00 175.10 175.85 1nir s ASP 18 N 1.07 6.71 0.49 3.32 -1.08 -1.26 -4.94 116.67 120.98 1nir s ASP 18 Ca 0.68 0.75 0.24 0.00 -0.52 0.00 0.00 52.55 53.70 1nir s ASP 18 Cb -0.42 -2.43 1.31 0.00 -1.46 0.00 0.00 42.92 39.92 1nir s ASP 18 CO 0.32 -0.64 1.92 -0.65 0.52 0.00 0.00 175.17 176.64 1nir h PRO 19 N 8.07 0.14 0.00 4.34 0.11 -1.93 -0.60 132.00 142.13 1nir h PRO 19 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1nir h PRO 19 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nir h PRO 19 CO 0.90 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 1nir h ALA 20 N 1.63 1.00 -0.02 -0.75 0.00 -2.03 -2.83 119.26 116.26 1nir h ALA 20 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1nir h ALA 20 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nir h ALA 20 CO -0.06 0.00 -0.10 0.72 0.00 0.00 0.00 179.25 179.81 1nir n HIS 21 N -2.56 0.00 -3.13 0.00 8.25 -0.24 -4.85 115.22 112.68 1nir n HIS 21 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1nir n HIS 21 Cb 0.24 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 1nir n HIS 21 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nir s VAL 22 N -1.56 4.95 -0.09 1.59 1.01 -1.07 -5.04 120.40 120.19 1nir s VAL 22 Ca 0.18 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1nir s VAL 22 Cb 0.14 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1nir s VAL 22 CO 0.27 -0.13 0.01 0.68 0.00 0.00 0.00 175.10 175.93 1nir s VAL 23 N 2.57 4.36 -0.16 2.92 -7.23 -1.26 -4.98 120.40 116.61 1nir s VAL 23 Ca 0.24 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 1nir s VAL 23 Cb -0.15 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1nir s VAL 23 CO 0.12 0.60 0.63 -0.60 -0.31 0.00 0.00 175.10 175.54 1nir s ARG 24 N -0.85 4.27 -0.13 4.82 3.52 -1.26 -5.04 118.95 124.29 1nir s ARG 24 Ca 0.13 0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 56.14 1nir s ARG 24 Cb -0.11 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1nir s ARG 24 CO 0.02 -0.14 0.80 0.99 -0.81 0.00 0.00 175.30 176.16 1nir s THR 25 N 1.57 4.93 -1.23 4.11 2.01 -1.26 -4.99 115.64 120.79 1nir s THR 25 Ca 0.30 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.90 1nir s THR 25 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1nir s THR 25 CO 0.12 0.11 0.00 -3.20 -0.69 0.00 0.00 174.62 170.95 1nir n ASN 26 N 4.70 0.00 0.00 3.53 2.85 -1.26 -4.97 115.26 120.11 1nir n ASN 26 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1nir n ASN 26 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1nir n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nir n GLY 27 N 0.00 0.97 3.89 8.20 0.00 -1.26 -5.09 105.19 111.90 1nir n GLY 27 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1nir n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir s ALA 28 N -2.00 3.65 0.26 4.61 0.00 -1.26 -5.05 121.76 121.97 1nir s ALA 28 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1nir s ALA 28 Cb 0.00 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.72 1nir s ALA 28 CO 0.00 0.47 1.52 -1.25 0.00 0.00 0.00 175.76 176.49 1nir s PRO 29 N -3.02 4.20 0.41 0.00 0.04 -1.26 -4.95 135.00 130.42 1nir s PRO 29 Ca 0.44 2.43 -0.26 0.00 0.04 0.00 0.00 61.00 63.65 1nir s PRO 29 Cb -0.11 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1nir s PRO 29 CO 0.25 -0.53 1.35 -0.51 0.04 0.00 0.00 177.00 177.60 1nir s ASP 30 N 0.48 6.27 -0.20 6.66 1.01 -1.26 -4.93 116.67 124.69 1nir s ASP 30 Ca 0.62 2.75 -0.17 0.00 0.71 0.00 0.00 52.55 56.46 1nir s ASP 30 Cb -0.45 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 40.89 1nir s ASP 30 CO 0.44 -0.89 0.53 0.00 0.21 0.00 0.00 175.17 175.46 1nir s MET 31 N -2.23 0.59 1.14 8.23 0.23 -1.26 -5.11 119.30 120.89 1nir s MET 31 Ca 0.57 0.80 -0.18 0.00 -1.03 0.00 0.00 55.69 55.85 1nir s MET 31 Cb -0.40 0.23 0.26 0.00 -1.53 0.00 0.00 34.83 33.39 1nir s MET 31 CO 0.52 -0.10 1.15 -1.54 -2.03 0.00 0.00 175.02 173.03 1nir s SER 32 N 0.61 1.51 0.14 -1.18 1.04 -1.26 -4.68 113.70 109.89 1nir s SER 32 Ca -0.03 0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.83 1nir s SER 32 Cb -0.05 -0.83 -0.00 0.00 0.10 0.00 0.00 66.02 65.25 1nir s SER 32 CO -0.04 -3.75 1.76 -0.08 0.98 0.00 0.00 173.24 172.11 1nir h GLU 33 N -2.33 0.52 -0.83 4.02 4.81 -2.02 0.20 114.58 118.95 1nir h GLU 33 Ca -0.45 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1nir h GLU 33 Cb 1.28 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1nir h GLU 33 CO 0.37 0.40 0.51 1.03 -0.73 0.00 0.00 179.01 180.59 1nir h SER 34 N 0.49 0.81 0.01 1.04 0.87 -1.99 -0.24 113.55 114.55 1nir h SER 34 Ca 0.14 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1nir h SER 34 Cb 0.02 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1nir h SER 34 CO -0.02 0.53 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.47 1nir h GLU 35 N 0.95 -0.02 -0.53 2.24 5.08 -1.83 -2.68 114.58 117.80 1nir h GLU 35 Ca 0.35 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1nir h GLU 35 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1nir h GLU 35 CO -0.16 0.62 0.31 0.35 -1.00 0.00 0.00 179.01 179.12 1nir h PHE 36 N -0.67 0.57 -0.22 4.33 3.04 -0.86 -2.08 116.94 121.05 1nir h PHE 36 Ca -0.00 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 1nir h PHE 36 Cb 0.64 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1nir h PHE 36 CO 0.15 0.32 -0.26 -0.91 -2.02 0.00 0.00 178.31 175.59 1nir h ASN 37 N 0.60 0.42 -0.44 0.41 2.35 -1.12 -0.80 115.58 117.00 1nir h ASN 37 Ca 0.22 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1nir h ASN 37 Cb 0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1nir h ASN 37 CO -0.11 0.68 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.15 1nir h GLU 38 N 0.38 0.87 -0.40 0.81 4.81 -1.09 -1.94 114.58 118.01 1nir h GLU 38 Ca 0.06 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1nir h GLU 38 Cb 0.66 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1nir h GLU 38 CO 0.05 0.98 -0.08 0.00 -0.73 0.00 0.00 179.01 179.23 1nir h ALA 39 N 0.86 0.54 -0.94 2.92 0.00 -1.17 -2.69 119.26 118.78 1nir h ALA 39 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nir h ALA 39 Cb 0.67 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1nir h ALA 39 CO 0.05 0.40 0.60 -0.22 0.00 0.00 0.00 179.25 180.07 1nir h LYS 40 N 0.57 1.25 -0.62 0.00 3.64 -1.08 0.79 116.57 121.13 1nir h LYS 40 Ca 0.10 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1nir h LYS 40 Cb 0.59 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1nir h LYS 40 CO 0.04 0.85 0.15 0.37 -2.27 0.00 0.00 179.45 178.58 1nir h GLN 41 N 1.28 0.99 -0.34 1.90 4.15 -1.22 -2.32 115.11 119.56 1nir h GLN 41 Ca 0.34 -0.24 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 1nir h GLN 41 Cb -0.10 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1nir h GLN 41 CO -0.07 0.91 -0.37 0.82 -1.93 0.00 0.00 178.83 178.19 1nir h ILE 42 N 0.91 1.28 0.02 2.39 2.04 -1.08 -2.48 117.51 120.59 1nir h ILE 42 Ca 0.19 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.53 1nir h ILE 42 Cb 0.36 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1nir h ILE 42 CO 0.00 0.50 -0.06 0.22 0.00 0.00 0.00 178.15 178.82 1nir h TYR 43 N 0.65 -0.16 0.00 1.37 3.20 -0.53 0.16 116.97 121.66 1nir h TYR 43 Ca 0.06 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1nir h TYR 43 Cb 0.92 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1nir h TYR 43 CO 0.05 -0.10 -0.36 0.74 -1.64 0.00 0.00 178.16 176.85 1nir h PHE 44 N -0.12 0.00 0.14 -3.82 0.04 -1.44 0.49 116.94 112.23 1nir h PHE 44 Ca 0.02 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.50 1nir h PHE 44 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 1nir h PHE 44 CO -0.12 0.36 -1.35 1.96 -0.60 0.00 0.00 178.31 178.56 1nir h GLN 45 N 0.00 0.30 0.00 1.51 4.20 -1.15 -3.40 115.11 116.58 1nir h GLN 45 Ca -0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1nir h GLN 45 Cb 0.93 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1nir h GLN 45 CO 0.05 1.23 -1.15 0.54 -0.67 0.00 0.00 178.83 178.82 1nir n ARG 46 N -3.54 2.68 -0.03 1.46 5.12 0.52 -4.90 116.66 117.98 1nir n ARG 46 Ca -0.12 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.79 1nir n ARG 46 Cb 1.04 -1.06 -0.07 0.00 -1.16 0.00 0.00 32.46 31.21 1nir n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nir h ALA 48 N 0.57 1.28 -0.75 0.00 0.00 -0.68 -2.01 119.26 117.69 1nir h ALA 48 Ca -0.14 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1nir h ALA 48 Cb 1.08 -0.39 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1nir h ALA 48 CO 0.01 0.65 0.02 0.78 0.00 0.00 0.00 179.25 180.71 1nir h GLY 49 N 1.31 0.85 0.20 0.00 0.00 -1.85 0.44 103.07 104.02 1nir h GLY 49 Ca 0.35 0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.53 1nir h GLY 49 CO -0.07 -0.28 -1.32 0.00 0.00 0.00 0.00 176.54 174.87 1nir n HIS 51 N -4.20 0.02 -0.30 0.00 8.25 -0.76 -2.35 115.22 115.87 1nir n HIS 51 Ca -0.29 0.01 0.04 0.00 -0.26 0.00 0.00 57.72 57.21 1nir n HIS 51 Cb 0.77 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 1nir n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nir n GLY 52 N 1.50 -1.98 0.27 -1.41 0.00 0.15 -1.64 105.19 102.08 1nir n GLY 52 Ca 0.06 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1nir n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nir h VAL 53 N -0.29 1.27 -0.59 1.61 2.07 -1.97 -3.06 116.25 115.30 1nir h VAL 53 Ca -0.01 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1nir h VAL 53 Cb 0.28 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1nir h VAL 53 CO 0.01 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.26 1nir n LEU 54 N -4.09 3.61 -2.29 2.57 4.77 -1.26 -4.82 117.00 115.50 1nir n LEU 54 Ca -0.01 -1.72 -0.18 0.00 -0.03 0.00 0.00 56.01 54.07 1nir n LEU 54 Cb 0.47 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1nir n LEU 54 CO 0.46 0.86 -0.10 0.54 -1.33 0.00 0.00 177.39 177.82 1nir n ARG 55 N 1.51 -2.84 -0.42 3.23 1.74 -1.09 -4.81 116.66 113.98 1nir n ARG 55 Ca 0.22 0.80 0.06 0.00 -0.77 0.00 0.00 57.85 58.17 1nir n ARG 55 Cb 0.59 -5.31 0.11 0.00 -1.02 0.00 0.00 32.46 26.83 1nir n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nir n LYS 56 N -3.11 0.96 0.08 5.56 5.02 -0.83 -1.88 118.16 123.96 1nir n LYS 56 Ca -0.15 -2.36 0.03 0.00 -2.02 0.00 0.00 58.31 53.82 1nir n LYS 56 Cb 0.63 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 1nir n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1nir h GLY 57 N 0.32 0.00 -2.35 0.72 0.00 -1.52 -3.48 103.07 96.76 1nir h GLY 57 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.87 1nir h GLY 57 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.34 1nir s ALA 58 N -3.02 4.23 0.87 3.60 0.00 -0.99 -4.79 121.76 121.66 1nir s ALA 58 Ca -0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1nir s ALA 58 Cb 0.08 -1.80 0.12 0.00 0.00 0.00 0.00 23.12 21.52 1nir s ALA 58 CO 0.79 -0.35 1.09 0.95 0.00 0.00 0.00 175.76 178.24 1nir s THR 59 N -2.43 2.76 0.00 0.00 -4.23 -1.26 -4.86 115.64 105.62 1nir s THR 59 Ca 0.53 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1nir s THR 59 Cb -0.10 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1nir s THR 59 CO 0.34 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1nir n GLY 60 N -1.24 -1.77 3.73 3.99 0.00 -1.26 -4.88 105.19 103.76 1nir n GLY 60 Ca 0.07 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 1nir n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 61 N 0.00 4.40 0.88 1.61 1.02 -1.26 -5.02 119.74 121.37 1nir s LYS 61 Ca 0.00 2.01 -0.10 0.00 0.02 0.00 0.00 55.97 57.90 1nir s LYS 61 Cb 0.00 -3.21 0.12 0.00 -0.52 0.00 0.00 37.83 34.22 1nir s LYS 61 CO 0.00 -0.24 1.11 -1.25 -0.92 0.00 0.00 175.35 174.05 1nir s PRO 62 N 0.00 1.37 -0.47 -1.68 0.04 -1.26 -4.93 135.00 128.07 1nir s PRO 62 Ca 0.57 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1nir s PRO 62 Cb -0.36 -1.79 0.44 0.00 0.04 0.00 0.00 34.50 32.84 1nir s PRO 62 CO 0.37 -2.31 1.91 1.28 0.04 0.00 0.00 177.00 178.30 1nir n LEU 63 N -3.99 6.77 -4.86 -3.56 4.77 -0.79 -4.62 117.00 110.73 1nir n LEU 63 Ca 0.10 -3.64 -0.31 0.00 -0.03 0.00 0.00 56.01 52.12 1nir n LEU 63 Cb 0.53 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1nir n LEU 63 CO 0.52 1.20 0.50 0.42 -1.33 0.00 0.00 177.39 178.70 1nir s THR 64 N -3.42 4.69 0.63 -5.08 -4.23 -1.26 -4.80 115.64 102.16 1nir s THR 64 Ca 0.50 0.87 0.32 0.00 -1.18 0.00 0.00 61.69 62.21 1nir s THR 64 Cb 0.41 -3.69 0.36 0.00 1.34 0.00 0.00 72.50 70.91 1nir s THR 64 CO 0.03 -0.47 2.06 -0.65 -0.54 0.00 0.00 174.62 175.06 1nir h PRO 65 N 1.46 0.00 -0.08 3.99 0.11 -1.80 -1.26 132.00 134.42 1nir h PRO 65 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1nir h PRO 65 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1nir h PRO 65 CO 0.63 0.00 -0.56 0.38 -0.21 0.00 0.00 178.00 178.25 1nir h ASP 66 N 0.00 0.25 0.03 -2.05 2.03 -1.93 -2.82 116.42 111.94 1nir h ASP 66 Ca 0.06 -0.14 -0.31 0.00 -0.73 0.00 0.00 57.03 55.91 1nir h ASP 66 Cb 0.54 -0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 38.93 1nir h ASP 66 CO -0.00 0.76 -1.69 -0.38 -1.03 0.00 0.00 179.24 176.91 1nir n ILE 67 N -3.91 1.59 -0.09 4.15 2.08 -0.56 -3.89 119.36 118.74 1nir n ILE 67 Ca -0.02 -0.26 0.03 0.00 0.56 0.00 0.00 62.75 63.06 1nir n ILE 67 Cb 0.58 -1.92 0.35 0.00 -0.75 0.00 0.00 39.64 37.91 1nir n ILE 67 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1nir h THR 68 N -0.69 1.14 0.00 1.39 1.35 -1.44 -0.72 112.91 113.93 1nir h THR 68 Ca -0.43 -0.26 -0.11 0.00 -0.55 0.00 0.00 66.41 65.07 1nir h THR 68 Cb 1.56 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 1nir h THR 68 CO -0.17 0.14 -0.51 1.56 -0.25 0.00 0.00 175.52 176.29 1nir h GLN 69 N 0.75 0.00 -0.26 4.72 4.20 -1.71 -1.57 115.11 121.24 1nir h GLN 69 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 1nir h GLN 69 Cb -0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1nir h GLN 69 CO -0.04 0.51 -0.09 0.37 -0.67 0.00 0.00 178.83 178.90 1nir h GLN 70 N 0.00 0.53 0.36 1.46 4.15 -1.30 -3.24 115.11 117.07 1nir h GLN 70 Ca -0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1nir h GLN 70 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1nir h GLN 70 CO 0.07 0.76 -0.18 0.00 -1.93 0.00 0.00 178.83 177.55 1nir h ARG 71 N 0.27 -0.47 0.00 1.69 2.47 -1.08 -3.50 114.38 113.75 1nir h ARG 71 Ca 0.06 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1nir h ARG 71 Cb 0.59 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1nir h ARG 71 CO 0.03 -0.22 0.00 0.41 0.56 0.00 0.00 179.97 180.76 1nir n GLY 72 N -0.82 1.79 0.38 0.04 0.00 -0.60 -4.44 105.19 101.54 1nir n GLY 72 Ca -0.10 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1nir n GLY 72 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nir h GLN 73 N 0.00 -0.34 -0.09 1.61 1.08 -1.91 -1.86 115.11 113.60 1nir h GLN 73 Ca 0.00 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1nir h GLN 73 Cb 0.00 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1nir h GLN 73 CO 0.00 -0.23 -0.07 1.96 -0.95 0.00 0.00 178.83 179.54 1nir h GLN 74 N -0.35 -0.08 -0.42 1.46 4.20 -1.99 0.22 115.11 118.14 1nir h GLN 74 Ca 0.13 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1nir h GLN 74 Cb 0.58 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1nir h GLN 74 CO -0.52 -0.06 0.22 -0.92 -0.67 0.00 0.00 178.83 176.88 1nir h TYR 75 N -0.09 0.40 -0.25 2.96 5.03 -1.73 -1.30 116.97 122.00 1nir h TYR 75 Ca 0.06 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1nir h TYR 75 Cb 0.18 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1nir h TYR 75 CO -0.18 0.21 0.11 -0.07 -1.32 0.00 0.00 178.16 176.91 1nir h LEU 76 N 0.43 0.33 -0.82 2.82 3.38 -1.04 -0.47 115.31 119.94 1nir h LEU 76 Ca 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1nir h LEU 76 Cb 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1nir h LEU 76 CO -0.12 0.37 0.42 -0.33 0.09 0.00 0.00 178.44 178.87 1nir h GLU 77 N 0.26 1.17 -0.56 1.13 5.08 -0.77 -1.00 114.58 119.88 1nir h GLU 77 Ca 0.08 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1nir h GLU 77 Cb 0.13 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1nir h GLU 77 CO -0.01 0.88 0.05 0.00 -1.00 0.00 0.00 179.01 178.93 1nir h ALA 78 N 1.22 0.75 -0.29 3.43 0.00 -1.02 -0.56 119.26 122.78 1nir h ALA 78 Ca 0.28 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1nir h ALA 78 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nir h ALA 78 CO -0.04 0.54 -0.53 1.25 0.00 0.00 0.00 179.25 180.47 1nir h LEU 79 N 0.85 0.95 -0.71 0.00 6.46 -0.78 -2.24 115.31 119.83 1nir h LEU 79 Ca 0.16 -0.50 -0.13 0.00 -0.12 0.00 0.00 57.88 57.29 1nir h LEU 79 Cb 0.48 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1nir h LEU 79 CO 0.02 1.29 -0.46 0.40 -0.62 0.00 0.00 178.44 179.07 1nir h ILE 80 N 0.66 1.32 -0.19 4.05 2.04 -1.12 0.10 117.51 124.37 1nir h ILE 80 Ca 0.02 -1.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 1nir h ILE 80 Cb 1.13 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1nir h ILE 80 CO 0.12 0.51 -0.15 0.74 0.00 0.00 0.00 178.15 179.37 1nir h THR 81 N 0.34 1.32 0.00 -0.27 2.02 -1.01 -0.05 112.91 115.27 1nir h THR 81 Ca 0.02 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1nir h THR 81 Cb 0.95 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1nir h THR 81 CO 0.08 0.39 -1.15 -1.22 0.37 0.00 0.00 175.52 173.98 1nir n TYR 82 N -4.51 0.00 -3.99 3.16 4.01 -0.85 -1.38 117.16 113.61 1nir n TYR 82 Ca -0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1nir n TYR 82 Cb 0.37 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1nir n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nir n GLY 83 N 1.46 -1.44 3.11 2.72 0.00 0.35 -4.37 105.19 107.02 1nir n GLY 83 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1nir n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nir s THR 84 N -0.34 0.50 -2.00 2.61 -4.23 0.01 -4.93 115.64 107.26 1nir s THR 84 Ca 0.00 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.03 1nir s THR 84 Cb 0.00 -1.22 0.28 0.00 1.34 0.00 0.00 72.50 72.90 1nir s THR 84 CO 0.00 -0.73 1.12 -0.81 -0.54 0.00 0.00 174.62 173.66 1nir n PRO 85 N 0.55 0.66 -1.00 3.99 -0.04 -1.26 -3.49 135.00 134.42 1nir n PRO 85 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1nir n PRO 85 Cb 0.59 -1.23 0.19 0.00 -0.04 0.00 0.00 33.50 33.00 1nir n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nir n LEU 86 N -0.73 5.18 0.00 1.53 4.77 -1.26 -4.90 117.00 121.58 1nir n LEU 86 Ca 0.07 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 1nir n LEU 86 Cb 0.03 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1nir n LEU 86 CO 0.05 1.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 1nir n GLY 87 N -1.13 0.54 3.51 -0.72 0.00 -1.24 -5.03 105.19 101.11 1nir n GLY 87 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1nir n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nir s MET 88 N -0.69 3.26 0.75 1.61 0.00 -1.23 -5.01 119.30 117.99 1nir s MET 88 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 55.69 54.95 1nir s MET 88 Cb 0.00 -3.91 0.05 0.00 0.00 0.00 0.00 34.83 30.96 1nir s MET 88 CO 0.00 -0.76 1.10 -1.25 0.00 0.00 0.00 175.02 174.12 1nir s PRO 89 N 2.14 2.30 -0.15 4.11 0.04 -1.26 -0.81 135.00 141.37 1nir s PRO 89 Ca 0.13 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1nir s PRO 89 Cb -0.17 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1nir s PRO 89 CO 0.13 -1.62 0.50 0.54 0.04 0.00 0.00 177.00 176.59 1nir s ASN 90 N -3.11 6.64 -0.03 6.66 4.22 -1.26 -4.03 114.94 124.02 1nir s ASN 90 Ca 0.63 0.76 0.19 0.00 -2.14 0.00 0.00 52.86 52.31 1nir s ASN 90 Cb -0.19 -2.29 -0.30 0.00 1.28 0.00 0.00 41.25 39.76 1nir s ASN 90 CO 0.52 -0.08 0.44 0.79 -2.04 0.00 0.00 177.10 176.74 1nir n TRP 91 N 4.15 0.00 -0.10 1.54 7.02 -0.03 -4.22 117.44 125.80 1nir n TRP 91 Ca -0.06 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.18 1nir n TRP 91 Cb 0.51 -0.43 -0.11 0.00 -2.42 0.00 0.00 31.31 28.86 1nir n TRP 91 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nir n GLY 92 N 1.40 -0.59 0.33 6.99 0.00 -0.58 -1.34 105.19 111.40 1nir n GLY 92 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1nir n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nir h SER 93 N -0.68 0.92 1.04 1.61 0.02 -1.49 -2.35 113.55 112.62 1nir h SER 93 Ca -0.52 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.26 1nir h SER 93 Cb 1.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 1nir h SER 93 CO -0.22 0.80 -0.28 0.77 -1.14 0.00 0.00 176.83 176.76 1nir h SER 94 N 1.00 0.00 0.00 3.07 4.64 -1.78 -3.47 113.55 117.02 1nir h SER 94 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1nir h SER 94 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1nir h SER 94 CO -0.03 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1nir n GLY 95 N 0.36 0.72 0.07 -0.77 0.00 -0.88 -4.97 105.19 99.71 1nir n GLY 95 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1nir n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nir h GLU 96 N 2.05 0.12 -6.35 1.61 4.39 -1.77 -3.45 114.58 111.18 1nir h GLU 96 Ca 0.00 -0.02 -0.61 0.00 0.34 0.00 0.00 59.36 59.06 1nir h GLU 96 Cb 0.00 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.49 1nir h GLU 96 CO 0.00 0.26 -0.74 -0.51 -1.16 0.00 0.00 179.01 176.86 1nir s LEU 97 N -9.81 2.76 0.61 1.33 1.43 -0.45 -5.07 118.68 109.48 1nir s LEU 97 Ca -0.14 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 1nir s LEU 97 Cb 0.05 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.95 1nir s LEU 97 CO 0.68 0.06 0.89 -0.94 0.23 0.00 0.00 176.35 177.27 1nir s SER 98 N -3.21 5.25 0.42 2.29 1.04 -1.26 -4.54 113.70 113.69 1nir s SER 98 Ca 0.27 0.39 0.19 0.00 0.48 0.00 0.00 55.95 57.28 1nir s SER 98 Cb -0.07 -1.25 0.93 0.00 0.10 0.00 0.00 66.02 65.73 1nir s SER 98 CO 0.15 -1.25 1.87 0.50 0.98 0.00 0.00 173.24 175.50 1nir h LYS 99 N -0.21 0.00 -0.37 4.02 1.63 -1.96 -0.73 116.57 118.95 1nir h LYS 99 Ca -0.44 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.22 1nir h LYS 99 Cb 1.29 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1nir h LYS 99 CO 0.58 0.29 -0.30 0.93 -3.45 0.00 0.00 179.45 177.50 1nir h GLU 100 N 0.00 0.86 -0.29 1.90 3.07 -1.99 -0.93 114.58 117.19 1nir h GLU 100 Ca -0.00 -0.43 -0.17 0.00 -0.50 0.00 0.00 59.36 58.26 1nir h GLU 100 Cb 0.63 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1nir h GLU 100 CO 0.04 1.07 -0.50 1.96 -1.40 0.00 0.00 179.01 180.18 1nir h GLN 101 N 0.66 0.81 -0.62 2.33 4.20 -1.85 -2.59 115.11 118.04 1nir h GLN 101 Ca 0.07 -0.48 -0.06 0.00 0.06 0.00 0.00 58.65 58.24 1nir h GLN 101 Cb 0.88 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1nir h GLN 101 CO 0.08 1.12 0.17 0.82 -0.67 0.00 0.00 178.83 180.34 1nir h ILE 102 N 0.63 1.25 -0.41 2.54 2.04 -1.05 -0.17 117.51 122.34 1nir h ILE 102 Ca 0.03 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1nir h ILE 102 Cb 1.09 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1nir h ILE 102 CO 0.11 0.34 0.15 0.74 0.00 0.00 0.00 178.15 179.49 1nir h THR 103 N 0.90 1.16 -0.31 -0.27 2.02 -1.11 -1.42 112.91 113.89 1nir h THR 103 Ca 0.20 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 1nir h THR 103 Cb 0.33 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1nir h THR 103 CO -0.00 0.20 -0.39 -0.07 0.37 0.00 0.00 175.52 175.62 1nir h LEU 104 N 0.58 0.88 -0.73 2.58 3.38 -0.99 -2.77 115.31 118.24 1nir h LEU 104 Ca 0.14 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1nir h LEU 104 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nir h LEU 104 CO -0.01 1.20 0.22 0.24 0.09 0.00 0.00 178.44 180.17 1nir h MET 105 N 0.58 1.14 -0.48 1.13 2.86 -0.53 0.10 114.93 119.73 1nir h MET 105 Ca 0.04 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1nir h MET 105 Cb 0.99 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1nir h MET 105 CO 0.09 0.98 0.10 0.00 1.06 0.00 0.00 176.91 179.15 1nir h ALA 106 N 1.11 1.28 -0.07 6.32 0.00 -1.27 -1.56 119.26 125.07 1nir h ALA 106 Ca 0.23 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1nir h ALA 106 Cb 0.32 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1nir h ALA 106 CO -0.01 0.50 -0.87 0.87 0.00 0.00 0.00 179.25 179.75 1nir h LYS 107 N 0.71 0.72 0.00 0.00 1.57 -1.18 -3.30 116.57 115.09 1nir h LYS 107 Ca 0.16 -0.68 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1nir h LYS 107 Cb 0.29 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1nir h LYS 107 CO -0.00 1.27 -0.09 -0.92 -0.57 0.00 0.00 179.45 179.14 1nir h TYR 108 N 0.42 -0.24 0.00 -1.35 3.20 -0.40 -2.36 116.97 116.24 1nir h TYR 108 Ca -0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1nir h TYR 108 Cb 1.52 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.89 1nir h TYR 108 CO 0.10 -0.14 0.00 0.44 -1.64 0.00 0.00 178.16 176.92 1nir n ILE 109 N -5.22 0.29 1.25 1.81 -5.35 -0.62 -1.44 119.36 110.09 1nir n ILE 109 Ca -0.06 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 1nir n ILE 109 Cb 0.14 -0.82 0.35 0.00 -1.74 0.00 0.00 39.64 37.57 1nir n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nir n GLN 110 N -1.15 1.06 -3.82 6.28 6.02 -0.89 -4.14 117.38 120.76 1nir n GLN 110 Ca 0.09 -0.67 -0.21 0.00 -0.01 0.00 0.00 57.00 56.21 1nir n GLN 110 Cb 0.09 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1nir n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1nir s HIS 111 N -2.40 3.22 0.39 1.08 3.76 -0.52 -4.43 115.29 116.39 1nir s HIS 111 Ca 0.26 -0.13 -0.27 0.00 -0.15 0.00 0.00 55.06 54.76 1nir s HIS 111 Cb 0.19 -1.70 -0.10 0.00 1.11 0.00 0.00 32.58 32.08 1nir s HIS 111 CO 0.49 0.28 1.43 0.99 -0.85 0.00 0.00 174.74 177.08 1nir s THR 112 N -2.11 2.18 0.13 1.30 2.01 -1.26 -4.54 115.64 113.36 1nir s THR 112 Ca 0.38 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 1nir s THR 112 Cb -0.09 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 1nir s THR 112 CO 0.29 0.04 1.51 -2.84 -0.69 0.00 0.00 174.62 172.92 1nir s PRO 113 N -2.17 4.25 0.29 4.92 0.02 -1.26 -4.97 135.00 136.09 1nir s PRO 113 Ca 0.55 2.24 -0.29 0.00 0.02 0.00 0.00 61.00 63.51 1nir s PRO 113 Cb -0.44 -3.26 -0.10 0.00 0.02 0.00 0.00 34.50 30.72 1nir s PRO 113 CO 0.59 -0.56 1.36 -2.14 -0.33 0.00 0.00 177.00 175.92 1nir s PRO 114 N 1.36 4.32 -0.12 5.54 0.02 -1.26 -4.99 135.00 139.87 1nir s PRO 114 Ca 0.68 2.24 -0.19 0.00 0.02 0.00 0.00 61.00 63.76 1nir s PRO 114 Cb -0.40 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 1nir s PRO 114 CO 0.31 -0.28 0.51 -0.65 -0.33 0.00 0.00 177.00 176.55 1nir s GLN 115 N -1.16 4.33 0.85 5.54 -1.52 -1.26 -4.95 119.66 121.49 1nir s GLN 115 Ca 0.53 0.50 -0.13 0.00 -1.95 0.00 0.00 55.36 54.31 1nir s GLN 115 Cb -0.40 -3.45 0.11 0.00 -0.22 0.00 0.00 33.01 29.04 1nir s GLN 115 CO 0.49 0.11 1.22 -2.14 -0.25 0.00 0.00 175.29 174.71 1nir s PRO 116 N 0.78 1.61 0.65 2.91 0.02 -1.26 -5.04 135.00 134.67 1nir s PRO 116 Ca 0.27 -0.04 -0.11 0.00 0.02 0.00 0.00 61.00 61.15 1nir s PRO 116 Cb -0.15 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1nir s PRO 116 CO 0.11 -1.81 1.05 -1.25 -0.33 0.00 0.00 177.00 174.76 1nir s PRO 117 N -5.66 3.30 0.89 5.54 0.04 -1.26 -5.07 135.00 132.79 1nir s PRO 117 Ca 0.65 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 1nir s PRO 117 Cb -0.09 -2.07 0.15 0.00 0.04 0.00 0.00 34.50 32.53 1nir s PRO 117 CO 0.50 -0.74 1.25 -1.21 0.04 0.00 0.00 177.00 176.84 1nir s GLU 118 N -5.23 1.16 -0.39 4.56 0.41 -1.26 -4.78 118.70 113.17 1nir s GLU 118 Ca 0.56 -0.28 0.04 0.00 -0.41 0.00 0.00 54.97 54.88 1nir s GLU 118 Cb -0.11 -1.92 0.16 0.00 -1.78 0.00 0.00 34.13 30.49 1nir s GLU 118 CO 0.53 -2.07 0.42 -0.46 -0.49 0.00 0.00 175.26 173.19 1nir s TRP 119 N -3.73 -0.34 0.00 1.61 -0.11 -1.26 -5.00 118.94 110.10 1nir s TRP 119 Ca 0.69 -0.92 0.00 0.00 1.22 0.00 0.00 56.10 57.09 1nir s TRP 119 Cb -0.06 -0.35 0.00 0.00 -1.50 0.00 0.00 33.47 31.55 1nir s TRP 119 CO 0.51 -1.00 0.00 0.41 -4.62 0.00 0.00 176.95 172.25 1nir n GLY 120 N 3.95 1.28 0.37 5.86 0.00 -1.26 -4.87 105.19 110.52 1nir n GLY 120 Ca 0.14 -1.99 0.02 0.00 0.00 0.00 0.00 46.02 44.19 1nir n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nir h MET 121 N 0.00 1.15 -0.56 1.61 4.05 -2.00 -1.52 114.93 117.65 1nir h MET 121 Ca 0.00 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1nir h MET 121 Cb 0.00 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 30.51 1nir h MET 121 CO 0.00 0.76 0.35 -1.35 0.23 0.00 0.00 176.91 176.90 1nir h PRO 122 N 1.18 0.76 -0.47 0.39 0.11 -1.99 -0.22 132.00 131.75 1nir h PRO 122 Ca 0.42 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 1nir h PRO 122 Cb 0.13 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1nir h PRO 122 CO -0.16 0.53 0.01 0.93 -0.21 0.00 0.00 178.00 179.10 1nir h GLU 123 N 0.76 0.83 -0.10 1.05 3.07 -1.85 -1.93 114.58 116.41 1nir h GLU 123 Ca 0.20 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1nir h GLU 123 Cb -0.04 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1nir h GLU 123 CO -0.04 0.87 0.05 0.52 -1.40 0.00 0.00 179.01 179.01 1nir h MET 124 N 0.69 0.14 -0.38 2.33 2.86 -1.02 -2.15 114.93 117.39 1nir h MET 124 Ca 0.14 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1nir h MET 124 Cb 0.49 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1nir h MET 124 CO 0.02 0.19 0.07 0.00 1.06 0.00 0.00 176.91 178.25 1nir h ARG 125 N 0.05 0.57 -0.41 1.72 3.08 -1.02 -0.48 114.38 117.89 1nir h ARG 125 Ca 0.03 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1nir h ARG 125 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1nir h ARG 125 CO -0.00 0.55 -0.06 1.49 -1.07 0.00 0.00 179.97 180.88 1nir h GLU 126 N 0.56 0.69 0.00 0.04 4.57 -1.14 -2.72 114.58 116.57 1nir h GLU 126 Ca 0.13 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1nir h GLU 126 Cb 0.25 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1nir h GLU 126 CO 0.00 0.75 -0.33 -1.13 -1.18 0.00 0.00 179.01 177.12 1nir n SER 127 N -4.20 0.62 -4.73 1.04 3.41 -0.80 -4.90 113.62 104.06 1nir n SER 127 Ca 0.02 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 1nir n SER 127 Cb 0.32 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1nir n SER 127 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1nir s TRP 128 N -3.10 3.31 -0.06 7.33 -0.00 -0.26 -4.22 118.94 121.94 1nir s TRP 128 Ca 0.09 1.22 -0.03 0.00 -0.00 0.00 0.00 56.10 57.39 1nir s TRP 128 Cb 0.14 -3.56 0.04 0.00 -0.00 0.00 0.00 33.47 30.09 1nir s TRP 128 CO 0.65 -1.76 0.13 0.15 -0.00 0.00 0.00 176.95 176.13 1nir s LYS 129 N 0.23 0.07 -0.49 5.86 1.02 -0.07 -5.00 119.74 121.36 1nir s LYS 129 Ca 0.58 0.37 -0.13 0.00 0.02 0.00 0.00 55.97 56.81 1nir s LYS 129 Cb -0.35 -0.20 0.11 0.00 -0.52 0.00 0.00 37.83 36.87 1nir s LYS 129 CO 0.35 -0.18 0.41 0.08 -0.92 0.00 0.00 175.35 175.09 1nir s VAL 130 N 1.29 4.83 0.14 3.17 1.01 -1.26 -1.24 120.40 128.34 1nir s VAL 130 Ca -0.08 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.35 1nir s VAL 130 Cb -0.12 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1nir s VAL 130 CO -0.06 -0.74 1.39 -0.07 0.00 0.00 0.00 175.10 175.63 1nir h LEU 131 N 8.69 0.80 -7.17 3.92 3.38 -0.81 -3.43 115.31 120.69 1nir h LEU 131 Ca -0.26 -0.48 -0.40 0.00 0.09 0.00 0.00 57.88 56.82 1nir h LEU 131 Cb 1.09 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 41.21 1nir h LEU 131 CO 0.92 1.26 -0.73 -0.69 0.09 0.00 0.00 178.44 179.29 1nir s VAL 132 N -3.86 -0.13 0.55 1.22 1.01 -0.77 -5.00 120.40 113.42 1nir s VAL 132 Ca -0.09 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1nir s VAL 132 Cb 0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1nir s VAL 132 CO 0.88 -0.03 1.30 -0.54 0.00 0.00 0.00 175.10 176.70 1nir s LYS 133 N 2.18 3.16 0.48 2.72 1.02 -1.26 -4.81 119.74 123.22 1nir s LYS 133 Ca 0.04 2.08 0.27 0.00 0.02 0.00 0.00 55.97 58.38 1nir s LYS 133 Cb -0.14 -2.19 1.34 0.00 -0.52 0.00 0.00 37.83 36.31 1nir s LYS 133 CO -0.06 -1.13 1.83 -1.35 -0.92 0.00 0.00 175.35 173.72 1nir h PRO 134 N 1.39 0.16 -0.16 -1.68 0.11 -1.96 0.35 132.00 130.21 1nir h PRO 134 Ca -0.51 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1nir h PRO 134 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1nir h PRO 134 CO 0.57 0.11 -0.55 0.93 -0.21 0.00 0.00 178.00 178.85 1nir h GLU 135 N 0.17 0.49 -0.00 1.05 3.07 -2.00 -3.07 114.58 114.29 1nir h GLU 135 Ca 0.51 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1nir h GLU 135 Cb 1.71 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1nir h GLU 135 CO -0.11 0.91 -0.12 -0.25 -1.40 0.00 0.00 179.01 178.04 1nir n ASP 136 N -3.95 0.30 -4.85 1.42 8.00 0.08 -4.89 116.55 112.66 1nir n ASP 136 Ca -0.03 -0.24 -0.31 0.00 0.71 0.00 0.00 54.79 54.92 1nir n ASP 136 Cb 0.60 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1nir n ASP 136 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nir s ARG 137 N -2.67 3.67 0.71 -1.24 0.52 -1.01 -4.96 118.95 113.97 1nir s ARG 137 Ca 0.23 0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 56.14 1nir s ARG 137 Cb 0.20 -2.09 0.03 0.00 0.52 0.00 0.00 34.95 33.60 1nir s ARG 137 CO 0.51 -0.51 1.24 -2.14 0.02 0.00 0.00 175.30 174.42 1nir s PRO 138 N -4.74 2.23 0.00 3.54 0.02 -1.26 -4.94 135.00 129.86 1nir s PRO 138 Ca 0.57 1.88 0.24 0.00 0.02 0.00 0.00 61.00 63.71 1nir s PRO 138 Cb -0.11 -1.83 0.34 0.00 0.02 0.00 0.00 34.50 32.92 1nir s PRO 138 CO 0.45 -1.79 1.30 1.63 -0.33 0.00 0.00 177.00 178.26 1nir n LYS 139 N -2.47 0.73 -3.83 5.54 4.76 -1.26 -4.96 118.16 116.68 1nir n LYS 139 Ca 0.14 -0.52 -0.07 0.00 -2.87 0.00 0.00 58.31 54.99 1nir n LYS 139 Cb 0.49 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1nir n LYS 139 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1nir s LYS 140 N -2.63 1.75 0.03 1.97 -2.85 -1.26 -5.13 119.74 111.62 1nir s LYS 140 Ca 0.18 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 1nir s LYS 140 Cb 0.18 0.61 -0.08 0.00 -2.06 0.00 0.00 37.83 36.48 1nir s LYS 140 CO 0.61 -0.80 1.71 -1.14 0.10 0.00 0.00 175.35 175.83 1nir s GLN 141 N -3.91 4.18 0.00 1.78 0.74 -1.26 -4.82 119.66 116.37 1nir s GLN 141 Ca 0.10 2.34 0.23 0.00 0.05 0.00 0.00 55.36 58.09 1nir s GLN 141 Cb -0.06 -3.81 0.42 0.00 1.10 0.00 0.00 33.01 30.66 1nir s GLN 141 CO 0.05 -0.81 1.39 1.28 -0.55 0.00 0.00 175.29 176.66 1nir n LEU 142 N 6.38 3.09 -4.63 3.68 4.77 0.64 -4.93 117.00 126.01 1nir n LEU 142 Ca 0.17 -1.24 -0.28 0.00 -0.03 0.00 0.00 56.01 54.62 1nir n LEU 142 Cb 0.41 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1nir n LEU 142 CO 0.64 0.62 -0.27 0.54 -1.33 0.00 0.00 177.39 177.59 1nir s ASN 143 N -1.66 3.65 -0.25 -1.43 2.20 -1.26 -4.52 114.94 111.68 1nir s ASN 143 Ca 0.35 -1.48 0.11 0.00 -0.94 0.00 0.00 52.86 50.90 1nir s ASN 143 Cb 0.21 -0.01 0.48 0.00 -2.00 0.00 0.00 41.25 39.93 1nir s ASN 143 CO 0.31 -0.63 1.40 -0.90 -2.94 0.00 0.00 177.10 174.34 1nir n ASP 144 N -1.04 2.52 -4.79 3.54 5.75 -1.26 -5.04 116.55 116.23 1nir n ASP 144 Ca -0.09 -3.65 -0.33 0.00 -0.01 0.00 0.00 54.79 50.71 1nir n ASP 144 Cb 0.67 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1nir n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nir s LEU 145 N -3.17 3.41 -1.19 -2.12 1.43 -1.26 -4.95 118.68 110.83 1nir s LEU 145 Ca 0.42 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 55.25 1nir s LEU 145 Cb 0.38 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 42.26 1nir s LEU 145 CO 0.00 -1.38 1.37 -0.67 0.23 0.00 0.00 176.35 175.91 1nir n ASP 146 N -2.32 5.29 -0.26 2.29 -0.08 -1.26 -4.88 116.55 115.33 1nir n ASP 146 Ca 0.09 -2.99 0.06 0.00 -1.51 0.00 0.00 54.79 50.44 1nir n ASP 146 Cb 0.53 -1.53 0.18 0.00 2.34 0.00 0.00 41.12 42.64 1nir n ASP 146 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nir h LEU 147 N 9.03 -0.15 -2.05 -2.67 3.38 -1.97 -1.15 115.31 119.73 1nir h LEU 147 Ca 0.29 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.51 1nir h LEU 147 Cb 0.87 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1nir h LEU 147 CO 1.20 -0.12 0.19 -0.65 0.09 0.00 0.00 178.44 179.14 1nir h PRO 148 N 0.18 0.00 -0.50 1.13 0.11 -1.94 -1.86 132.00 129.12 1nir h PRO 148 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1nir h PRO 148 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1nir h PRO 148 CO -0.60 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 175.48 1nir n ASN 149 N -4.33 4.94 -4.82 -2.05 5.15 -0.44 -1.59 115.26 112.11 1nir n ASN 149 Ca 0.03 -2.82 -0.33 0.00 -0.60 0.00 0.00 54.58 50.86 1nir n ASN 149 Cb 0.33 -0.61 -0.05 0.00 -0.53 0.00 0.00 39.78 38.93 1nir n ASN 149 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1nir s LEU 150 N -2.53 3.81 -0.13 1.20 2.96 -0.70 -1.52 118.68 121.78 1nir s LEU 150 Ca 0.49 1.70 0.01 0.00 -0.22 0.00 0.00 54.13 56.11 1nir s LEU 150 Cb 0.37 -4.53 0.02 0.00 0.50 0.00 0.00 46.19 42.54 1nir s LEU 150 CO 0.16 -0.53 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.14 1nir s PHE 151 N -2.30 2.15 -0.52 5.38 0.40 -0.13 -1.01 117.98 121.95 1nir s PHE 151 Ca 0.62 -1.10 -0.20 0.00 -0.60 0.00 0.00 56.93 55.64 1nir s PHE 151 Cb -0.11 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.93 1nir s PHE 151 CO 0.21 -0.57 0.71 0.45 0.70 0.00 0.00 175.22 176.71 1nir s SER 152 N 1.15 6.25 -0.13 1.36 0.15 -0.44 -1.28 113.70 120.76 1nir s SER 152 Ca -0.02 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 55.82 1nir s SER 152 Cb -0.14 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1nir s SER 152 CO -0.05 -0.98 0.01 -0.69 1.20 0.00 0.00 173.24 172.73 1nir s VAL 153 N 2.98 4.37 -0.12 4.45 1.01 -0.29 -1.19 120.40 131.62 1nir s VAL 153 Ca 0.19 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1nir s VAL 153 Cb -0.17 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1nir s VAL 153 CO 0.14 0.53 0.82 -0.89 0.00 0.00 0.00 175.10 175.71 1nir s THR 154 N -0.18 4.92 -1.01 3.92 2.01 -0.01 -0.05 115.64 125.25 1nir s THR 154 Ca 0.05 1.65 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 1nir s THR 154 Cb -0.12 -4.14 0.31 0.00 0.01 0.00 0.00 72.50 68.55 1nir s THR 154 CO 0.02 0.10 1.44 0.18 -0.69 0.00 0.00 174.62 175.67 1nir n LEU 155 N 4.68 6.22 0.00 4.42 4.77 -0.20 -1.87 117.00 135.03 1nir n LEU 155 Ca 0.03 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 1nir n LEU 155 Cb 0.50 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1nir n LEU 155 CO 0.49 1.82 0.04 -1.14 -1.33 0.00 0.00 177.39 177.26 1nir n ARG 156 N 0.99 0.00 0.32 3.23 0.63 -1.04 -1.86 116.66 118.93 1nir n ARG 156 Ca 0.30 0.08 0.20 0.00 -0.92 0.00 0.00 57.85 57.51 1nir n ARG 156 Cb 0.33 -0.28 1.07 0.00 0.45 0.00 0.00 32.46 34.04 1nir n ARG 156 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1nir h ASP 157 N 0.00 0.00 0.78 6.15 5.19 -1.80 -1.49 116.42 125.25 1nir h ASP 157 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nir h ASP 157 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nir h ASP 157 CO 0.00 0.00 -0.27 0.00 -3.12 0.00 0.00 179.24 175.85 1nir n ALA 158 N -2.00 2.93 -3.19 3.45 0.00 -0.78 -4.90 120.51 116.03 1nir n ALA 158 Ca -0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 1nir n ALA 158 Cb 0.13 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.37 1nir n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nir n GLY 159 N 1.48 -0.20 3.51 0.00 0.00 -0.58 -4.95 105.19 104.45 1nir n GLY 159 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1nir n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nir s GLN 160 N -5.30 1.82 0.03 1.61 -0.21 -1.19 -1.58 119.66 114.83 1nir s GLN 160 Ca 0.11 -1.64 -0.02 0.00 0.02 0.00 0.00 55.36 53.83 1nir s GLN 160 Cb -0.05 0.45 -0.02 0.00 1.00 0.00 0.00 33.01 34.39 1nir s GLN 160 CO 0.58 -0.75 0.02 0.96 -2.12 0.00 0.00 175.29 173.97 1nir s ILE 161 N -3.27 0.15 -0.03 1.08 -5.25 -0.90 -1.03 121.20 111.95 1nir s ILE 161 Ca 0.29 -1.23 0.04 0.00 -0.99 0.00 0.00 60.65 58.76 1nir s ILE 161 Cb -0.00 -0.84 -0.00 0.00 2.95 0.00 0.00 42.46 44.56 1nir s ILE 161 CO 0.17 -0.68 -0.14 0.00 -1.79 0.00 0.00 174.94 172.50 1nir s ALA 162 N -2.56 1.28 -0.28 2.27 0.00 0.93 -1.33 121.76 122.06 1nir s ALA 162 Ca -0.06 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 1nir s ALA 162 Cb -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1nir s ALA 162 CO -0.05 0.25 0.52 -0.51 0.00 0.00 0.00 175.76 175.98 1nir s LEU 163 N -0.05 4.11 -0.16 0.00 1.43 -0.01 -1.14 118.68 122.87 1nir s LEU 163 Ca -0.01 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1nir s LEU 163 Cb -0.09 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1nir s LEU 163 CO 0.01 -0.34 -0.10 -0.69 0.23 0.00 0.00 176.35 175.46 1nir s VAL 164 N 2.35 3.20 -0.01 -1.59 1.01 -0.40 0.30 120.40 125.25 1nir s VAL 164 Ca 0.21 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1nir s VAL 164 Cb -0.15 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1nir s VAL 164 CO 0.10 0.50 1.45 -0.62 0.00 0.00 0.00 175.10 176.53 1nir s ASP 165 N 0.67 6.81 0.13 3.32 -1.08 -0.37 -0.96 116.67 125.20 1nir s ASP 165 Ca -0.05 2.13 -0.23 0.00 -0.52 0.00 0.00 52.55 53.88 1nir s ASP 165 Cb -0.15 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 1nir s ASP 165 CO 0.02 -0.76 1.65 1.23 0.52 0.00 0.00 175.17 177.83 1nir h GLY 166 N 8.70 -0.20 1.06 2.66 0.00 -1.61 -1.18 103.07 112.50 1nir h GLY 166 Ca -0.38 0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.96 1nir h GLY 166 CO 0.92 -0.18 -1.01 -0.55 0.00 0.00 0.00 176.54 175.72 1nir h ASP 167 N -0.27 0.77 1.46 0.19 3.32 -1.92 -3.32 116.42 116.64 1nir h ASP 167 Ca 0.09 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.34 1nir h ASP 167 Cb 0.41 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1nir h ASP 167 CO -0.27 1.48 0.00 0.77 -1.72 0.00 0.00 179.24 179.51 1nir h SER 168 N 0.15 0.00 -1.59 6.45 4.64 -1.98 -3.47 113.55 117.74 1nir h SER 168 Ca -0.15 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.81 1nir h SER 168 Cb 1.70 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.70 1nir h SER 168 CO 0.19 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 176.05 1nir n LYS 169 N -2.57 -1.34 -4.37 4.77 4.01 -0.45 -4.99 118.16 113.21 1nir n LYS 169 Ca 0.04 1.03 -0.28 0.00 -0.51 0.00 0.00 58.31 58.59 1nir n LYS 169 Cb 0.42 -5.40 -0.12 0.00 -0.51 0.00 0.00 35.03 29.41 1nir n LYS 169 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1nir s LYS 170 N -4.11 1.54 -0.08 1.97 1.02 -1.25 -4.82 119.74 114.01 1nir s LYS 170 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 1nir s LYS 170 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1nir s LYS 170 CO 0.00 0.44 1.38 0.42 -0.92 0.00 0.00 175.35 176.67 1nir s ILE 171 N -1.25 3.96 -0.06 2.17 1.01 -1.26 -1.23 121.20 124.54 1nir s ILE 171 Ca 0.17 1.24 0.10 0.00 0.00 0.00 0.00 60.65 62.16 1nir s ILE 171 Cb -0.10 -3.80 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 1nir s ILE 171 CO 0.08 -0.07 0.58 0.52 0.00 0.00 0.00 174.94 176.06 1nir n VAL 172 N 5.10 1.63 -3.64 2.92 0.31 0.15 -4.94 118.33 119.86 1nir n VAL 172 Ca 0.14 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 1nir n VAL 172 Cb 0.44 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 1nir n VAL 172 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1nir s LYS 173 N -2.59 0.62 -0.15 5.55 2.47 -1.19 -5.00 119.74 119.44 1nir s LYS 173 Ca -0.08 0.76 -0.02 0.00 -1.56 0.00 0.00 55.97 55.07 1nir s LYS 173 Cb 0.08 0.29 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1nir s LYS 173 CO 0.81 -0.08 -0.08 0.08 0.16 0.00 0.00 175.35 176.25 1nir s VAL 174 N 0.40 3.44 -0.04 4.02 1.01 -1.26 -0.83 120.40 127.13 1nir s VAL 174 Ca 0.01 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1nir s VAL 174 Cb -0.05 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1nir s VAL 174 CO -0.05 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.69 1nir s ILE 175 N 0.53 2.29 0.05 2.22 1.01 -0.44 -5.00 121.20 121.86 1nir s ILE 175 Ca -0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1nir s ILE 175 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1nir s ILE 175 CO 0.03 0.58 1.02 -1.81 0.00 0.00 0.00 174.94 174.76 1nir s ASP 176 N -0.47 7.34 0.00 3.58 1.01 -1.26 -2.12 116.67 124.75 1nir s ASP 176 Ca 0.05 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.10 1nir s ASP 176 Cb -0.11 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1nir s ASP 176 CO 0.01 -0.25 0.00 0.35 0.21 0.00 0.00 175.17 175.49 1nir n THR 177 N 3.56 0.00 -1.71 -1.27 -2.24 -0.62 -4.97 114.28 107.04 1nir n THR 177 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1nir n THR 177 Cb 0.49 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.85 1nir n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nir s GLY 178 N -0.29 1.60 0.20 3.38 0.00 -1.26 -4.71 107.32 106.23 1nir s GLY 178 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 1nir s GLY 178 CO 0.00 -0.08 1.33 -0.47 0.00 0.00 0.00 173.10 173.88 1nir s TYR 179 N -3.44 3.23 -1.06 1.90 5.04 -1.26 -4.09 117.35 117.67 1nir s TYR 179 Ca 0.64 1.18 -0.19 0.00 -2.44 0.00 0.00 57.07 56.26 1nir s TYR 179 Cb -0.12 -3.63 0.01 0.00 0.35 0.00 0.00 41.96 38.57 1nir s TYR 179 CO 0.51 -1.99 0.71 0.00 -1.34 0.00 0.00 175.55 173.44 1nir n ALA 180 N 2.68 -2.63 -1.57 3.97 0.00 -1.12 -1.30 120.51 120.55 1nir n ALA 180 Ca 0.06 -0.33 -0.50 0.00 0.00 0.00 0.00 53.44 52.67 1nir n ALA 180 Cb 0.42 -2.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.10 1nir n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nir n VAL 181 N -3.91 0.64 -0.08 0.00 0.31 -1.26 -3.21 118.33 110.82 1nir n VAL 181 Ca -0.14 -0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 63.81 1nir n VAL 181 Cb 0.60 -0.72 -0.12 0.00 -0.91 0.00 0.00 33.84 32.68 1nir n VAL 181 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1nir n HIS 182 N 1.68 0.96 -4.01 3.52 -0.00 -0.60 -4.86 115.22 111.92 1nir n HIS 182 Ca 0.16 0.35 -0.09 0.00 0.46 0.00 0.00 57.72 58.60 1nir n HIS 182 Cb 0.22 -1.10 -0.08 0.00 -0.12 0.00 0.00 29.99 28.90 1nir n HIS 182 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1nir s ILE 183 N -2.43 0.12 -0.04 3.57 -4.36 -1.26 -4.81 121.20 111.99 1nir s ILE 183 Ca -0.28 -1.54 0.04 0.00 -0.26 0.00 0.00 60.65 58.60 1nir s ILE 183 Cb 0.07 -1.73 -0.00 0.00 1.25 0.00 0.00 42.46 42.05 1nir s ILE 183 CO 0.62 -0.53 -0.15 -0.44 0.24 0.00 0.00 174.94 174.68 1nir s SER 184 N -2.96 1.94 0.11 4.36 0.01 -1.26 -3.29 113.70 112.62 1nir s SER 184 Ca 0.15 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.14 1nir s SER 184 Cb 0.06 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 1nir s SER 184 CO -0.04 0.12 -0.12 -0.13 0.41 0.00 0.00 173.24 173.48 1nir s ARG 185 N 0.13 0.95 0.03 12.44 1.81 -0.05 -4.95 118.95 129.31 1nir s ARG 185 Ca -0.05 -1.21 0.03 0.00 -1.72 0.00 0.00 55.73 52.78 1nir s ARG 185 Cb -0.11 -0.75 -0.04 0.00 -0.45 0.00 0.00 34.95 33.60 1nir s ARG 185 CO 0.02 0.13 -0.01 -1.64 -0.68 0.00 0.00 175.30 173.12 1nir s MET 186 N -2.75 2.67 0.69 3.54 -1.94 -1.26 -0.52 119.30 119.73 1nir s MET 186 Ca 0.08 -0.70 -0.11 0.00 -1.71 0.00 0.00 55.69 53.25 1nir s MET 186 Cb -0.04 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.21 1nir s MET 186 CO 0.02 0.59 1.06 -1.54 -0.01 0.00 0.00 175.02 175.14 1nir s SER 187 N -1.77 5.41 0.59 3.03 1.04 -0.31 -4.75 113.70 116.94 1nir s SER 187 Ca 0.21 1.57 0.39 0.00 0.48 0.00 0.00 55.95 58.60 1nir s SER 187 Cb -0.11 -2.45 2.02 0.00 0.10 0.00 0.00 66.02 65.57 1nir s SER 187 CO 0.12 -1.42 2.19 0.00 0.98 0.00 0.00 173.24 175.11 1nir h ALA 188 N -0.70 1.00 -0.00 5.32 0.00 -1.91 -1.76 119.26 121.20 1nir h ALA 188 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1nir h ALA 188 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nir h ALA 188 CO 0.58 0.00 -0.33 -1.13 0.00 0.00 0.00 179.25 178.37 1nir n SER 189 N -2.96 0.37 0.00 0.00 3.41 -1.26 -4.93 113.62 108.25 1nir n SER 189 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1nir n SER 189 Cb 0.13 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1nir n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nir n GLY 190 N 1.48 0.41 0.11 5.00 0.00 -0.66 -4.88 105.19 106.65 1nir n GLY 190 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1nir n GLY 190 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nir n ARG 191 N -1.88 0.68 -4.55 1.61 0.63 -1.26 -4.96 116.66 106.92 1nir n ARG 191 Ca 0.00 0.07 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 1nir n ARG 191 Cb 0.12 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.36 1nir n ARG 191 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1nir s TYR 192 N -2.51 2.92 -0.21 -0.14 2.02 -1.26 -1.69 117.35 116.49 1nir s TYR 192 Ca -0.18 -0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 55.93 1nir s TYR 192 Cb 0.07 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1nir s TYR 192 CO 0.75 -0.14 0.13 -1.17 -1.57 0.00 0.00 175.55 173.55 1nir s LEU 193 N 0.41 4.12 -0.10 -1.29 2.96 0.12 -1.16 118.68 123.74 1nir s LEU 193 Ca -0.07 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1nir s LEU 193 Cb -0.15 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1nir s LEU 193 CO 0.04 0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.35 1nir s LEU 194 N 0.60 2.94 0.02 -0.68 1.43 0.32 -0.21 118.68 123.10 1nir s LEU 194 Ca 0.07 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1nir s LEU 194 Cb -0.12 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1nir s LEU 194 CO 0.00 0.26 -0.08 0.68 0.23 0.00 0.00 176.35 177.44 1nir s VAL 195 N -0.17 0.63 -0.05 -1.59 -7.23 -0.96 -0.88 120.40 110.15 1nir s VAL 195 Ca 0.01 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1nir s VAL 195 Cb -0.13 -0.59 0.02 0.00 0.56 0.00 0.00 36.38 36.23 1nir s VAL 195 CO 0.03 -0.05 -0.06 -0.51 -0.31 0.00 0.00 175.10 174.20 1nir s ILE 196 N -0.67 0.66 0.64 -0.62 2.07 -1.21 -1.51 121.20 120.56 1nir s ILE 196 Ca -0.02 -0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1nir s ILE 196 Cb -0.06 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.87 1nir s ILE 196 CO 0.00 0.25 0.99 -0.83 -1.91 0.00 0.00 174.94 173.45 1nir s GLY 197 N 0.90 1.61 0.00 1.50 0.00 0.01 -1.55 107.32 109.80 1nir s GLY 197 Ca -0.11 -0.49 0.16 0.00 0.00 0.00 0.00 44.72 44.28 1nir s GLY 197 CO 0.01 -0.17 1.50 -0.96 0.00 0.00 0.00 173.10 173.48 1nir n ARG 198 N -2.77 0.04 -0.19 2.90 1.85 -0.42 -0.78 116.66 117.30 1nir n ARG 198 Ca 0.05 0.21 0.05 0.00 -1.00 0.00 0.00 57.85 57.17 1nir n ARG 198 Cb 0.57 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.64 1nir n ARG 198 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1nir n ASP 199 N -1.46 1.94 -0.19 2.89 5.68 -1.26 -1.61 116.55 122.54 1nir n ASP 199 Ca 0.05 -2.03 -0.02 0.00 -0.50 0.00 0.00 54.79 52.28 1nir n ASP 199 Cb 0.18 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 1nir n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nir n ALA 200 N 0.50 -0.04 -2.64 2.12 0.00 0.04 -4.42 120.51 116.08 1nir n ALA 200 Ca 0.12 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1nir n ALA 200 Cb 0.32 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1nir n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nir s ARG 201 N -1.37 4.16 -0.07 0.00 3.52 -1.25 -1.83 118.95 122.12 1nir s ARG 201 Ca 0.00 0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 56.25 1nir s ARG 201 Cb 0.00 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1nir s ARG 201 CO 0.00 -0.39 0.08 0.42 -0.81 0.00 0.00 175.30 174.61 1nir s ILE 202 N 2.40 4.91 -0.04 4.11 1.01 0.63 -0.81 121.20 133.41 1nir s ILE 202 Ca 0.29 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.83 1nir s ILE 202 Cb -0.16 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1nir s ILE 202 CO 0.09 0.51 -0.13 -1.81 0.00 0.00 0.00 174.94 173.60 1nir s ASP 203 N -1.28 1.72 -0.22 3.58 1.01 -0.57 -2.19 116.67 118.72 1nir s ASP 203 Ca 0.18 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 53.08 1nir s ASP 203 Cb -0.12 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.22 1nir s ASP 203 CO 0.08 0.09 0.09 -0.32 0.21 0.00 0.00 175.17 175.32 1nir s MET 204 N 0.25 3.90 -0.11 8.23 -2.45 0.28 -2.28 119.30 127.12 1nir s MET 204 Ca -0.06 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1nir s MET 204 Cb -0.11 -3.34 -0.01 0.00 1.25 0.00 0.00 34.83 32.62 1nir s MET 204 CO 0.02 0.07 -0.19 0.42 1.05 0.00 0.00 175.02 176.38 1nir s ILE 205 N 0.96 2.47 -0.56 10.11 1.01 0.71 -0.77 121.20 135.13 1nir s ILE 205 Ca 0.05 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 1nir s ILE 205 Cb -0.14 -1.99 0.07 0.00 0.01 0.00 0.00 42.46 40.42 1nir s ILE 205 CO 0.03 0.55 0.74 -0.62 0.00 0.00 0.00 174.94 175.63 1nir s ASP 206 N 0.34 6.21 0.00 3.58 -1.08 -0.07 -0.70 116.67 124.95 1nir s ASP 206 Ca -0.16 -1.05 0.14 0.00 -0.52 0.00 0.00 52.55 50.96 1nir s ASP 206 Cb -0.17 -2.33 0.60 0.00 -1.46 0.00 0.00 42.92 39.56 1nir s ASP 206 CO 0.08 -1.09 1.43 0.18 0.52 0.00 0.00 175.17 176.29 1nir n LEU 207 N 6.59 0.00 0.09 -1.34 4.77 -0.68 -3.06 117.00 123.38 1nir n LEU 207 Ca -0.06 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1nir n LEU 207 Cb 0.45 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1nir n LEU 207 CO 0.58 -0.25 0.08 0.79 -1.33 0.00 0.00 177.39 177.26 1nir n TRP 208 N -1.47 0.86 -0.65 -1.77 7.02 -1.26 -4.70 117.44 115.46 1nir n TRP 208 Ca 0.04 0.25 -0.31 0.00 -1.02 0.00 0.00 57.50 56.46 1nir n TRP 208 Cb 0.15 -0.87 0.18 0.00 -2.42 0.00 0.00 31.31 28.35 1nir n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nir n ALA 209 N -2.10 -1.30 -0.28 6.99 0.00 -1.17 -0.26 120.51 122.40 1nir n ALA 209 Ca 0.01 -0.67 0.09 0.00 0.00 0.00 0.00 53.44 52.87 1nir n ALA 209 Cb 0.52 -2.13 0.23 0.00 0.00 0.00 0.00 19.45 18.07 1nir n ALA 209 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nir h LYS 210 N -2.00 0.24 -4.69 0.00 1.57 -1.92 -3.34 116.57 106.42 1nir h LYS 210 Ca -0.46 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.72 1nir h LYS 210 Cb 1.28 -0.05 -0.35 0.00 0.08 0.00 0.00 32.23 33.19 1nir h LYS 210 CO 0.42 0.16 -0.83 -2.00 -0.57 0.00 0.00 179.45 176.62 1nir s GLU 211 N -5.99 2.19 0.03 3.15 2.12 -1.26 -4.46 118.70 114.48 1nir s GLU 211 Ca -0.12 -0.54 -0.34 0.00 0.36 0.00 0.00 54.97 54.33 1nir s GLU 211 Cb 0.24 -1.92 -0.13 0.00 0.26 0.00 0.00 34.13 32.58 1nir s GLU 211 CO 0.76 -0.12 1.73 -2.30 -0.54 0.00 0.00 175.26 174.79 1nir n PRO 212 N 4.40 2.15 -4.19 4.30 -0.02 -1.25 -4.93 135.00 135.45 1nir n PRO 212 Ca -0.18 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1nir n PRO 212 Cb 0.51 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 1nir n PRO 212 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nir s THR 213 N 2.52 0.92 0.23 3.45 -4.23 -1.18 -4.96 115.64 112.38 1nir s THR 213 Ca 0.86 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1nir s THR 213 Cb -0.69 -1.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.55 1nir s THR 213 CO 0.45 -0.66 1.18 -0.54 -0.54 0.00 0.00 174.62 174.51 1nir s LYS 214 N -3.18 4.52 -0.00 3.99 1.02 -1.26 -0.89 119.74 123.94 1nir s LYS 214 Ca 0.09 1.89 0.04 0.00 0.02 0.00 0.00 55.97 58.00 1nir s LYS 214 Cb -0.00 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1nir s LYS 214 CO -0.01 -0.01 0.12 1.33 -0.92 0.00 0.00 175.35 175.87 1nir n VAL 215 N 1.94 0.00 -3.52 3.17 0.24 0.05 -4.59 118.33 115.62 1nir n VAL 215 Ca 0.02 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 1nir n VAL 215 Cb 0.44 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 33.45 1nir n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nir s ALA 216 N -1.85 -1.78 0.09 2.33 0.00 -1.23 -0.08 121.76 119.24 1nir s ALA 216 Ca -0.00 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 1nir s ALA 216 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1nir s ALA 216 CO 0.16 -0.43 0.22 -1.83 0.00 0.00 0.00 175.76 173.87 1nir s GLU 217 N -1.65 0.86 -0.07 0.00 -1.05 -0.37 -0.55 118.70 115.86 1nir s GLU 217 Ca -0.07 -0.90 -0.31 0.00 -0.15 0.00 0.00 54.97 53.55 1nir s GLU 217 Cb -0.00 0.35 0.11 0.00 -0.44 0.00 0.00 34.13 34.16 1nir s GLU 217 CO 0.04 -0.28 0.99 -1.50 0.95 0.00 0.00 175.26 175.46 1nir s ILE 218 N -3.74 0.00 -0.14 1.83 2.07 -0.93 -0.89 121.20 119.40 1nir s ILE 218 Ca 0.04 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1nir s ILE 218 Cb 0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.64 1nir s ILE 218 CO -0.11 0.00 -0.21 -0.75 -1.91 0.00 0.00 174.94 171.96 1nir s LYS 219 N -2.75 2.95 0.00 3.50 2.20 -1.26 -0.27 119.74 124.11 1nir s LYS 219 Ca 0.06 -0.83 0.21 0.00 -0.36 0.00 0.00 55.97 55.05 1nir s LYS 219 Cb -0.01 -2.40 0.28 0.00 -1.51 0.00 0.00 37.83 34.19 1nir s LYS 219 CO -0.07 -0.04 1.26 0.44 -0.36 0.00 0.00 175.35 176.58 1nir n ILE 220 N 4.13 0.26 -2.34 5.43 -6.64 -0.76 -4.53 119.36 114.91 1nir n ILE 220 Ca -0.20 -0.63 0.00 0.00 -1.77 0.00 0.00 62.75 60.15 1nir n ILE 220 Cb 0.51 1.20 0.00 0.00 -1.44 0.00 0.00 39.64 39.91 1nir n ILE 220 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1nir n GLY 221 N 1.27 -0.61 0.12 3.28 0.00 -1.26 -4.84 105.19 103.15 1nir n GLY 221 Ca 0.15 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1nir n GLY 221 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nir n ILE 222 N 1.02 1.45 -3.82 -0.61 2.08 0.11 -4.69 119.36 114.91 1nir n ILE 222 Ca 0.00 -0.65 -0.13 0.00 0.56 0.00 0.00 62.75 62.53 1nir n ILE 222 Cb 0.00 -1.14 -0.14 0.00 -0.75 0.00 0.00 39.64 37.61 1nir n ILE 222 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1nir s GLU 223 N -2.51 0.08 0.25 0.38 2.12 -0.99 -4.26 118.70 113.77 1nir s GLU 223 Ca -0.28 0.17 -0.12 0.00 0.36 0.00 0.00 54.97 55.10 1nir s GLU 223 Cb 0.08 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 1nir s GLU 223 CO 0.66 -0.06 0.47 0.00 -0.54 0.00 0.00 175.26 175.79 1nir s ALA 224 N 0.39 -0.20 0.00 6.30 0.00 -0.64 0.32 121.76 127.94 1nir s ALA 224 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1nir s ALA 224 Cb -0.04 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1nir s ALA 224 CO -0.01 -0.85 0.00 0.54 0.00 0.00 0.00 175.76 175.44 1nir n ARG 225 N -0.38 4.58 -4.27 0.00 5.12 -1.22 -4.27 116.66 116.22 1nir n ARG 225 Ca -0.01 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.71 1nir n ARG 225 Cb 0.62 -0.55 -0.13 0.00 -1.16 0.00 0.00 32.46 31.24 1nir n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1nir s SER 226 N -0.37 1.74 -0.00 0.55 0.15 -1.24 -4.47 113.70 110.06 1nir s SER 226 Ca 0.00 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.06 1nir s SER 226 Cb 0.00 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1nir s SER 226 CO 0.00 -0.01 0.08 0.54 1.20 0.00 0.00 173.24 175.05 1nir s VAL 227 N -1.06 0.07 0.12 4.45 0.11 -1.26 -1.60 120.40 121.23 1nir s VAL 227 Ca 0.00 -0.61 -0.20 0.00 -2.93 0.00 0.00 61.98 58.25 1nir s VAL 227 Cb -0.09 -0.32 0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1nir s VAL 227 CO 0.02 -0.33 0.49 -0.70 -3.33 0.00 0.00 175.10 171.25 1nir s GLU 228 N -1.10 1.12 0.16 1.54 2.56 0.32 -4.85 118.70 118.45 1nir s GLU 228 Ca -0.12 -0.52 0.09 0.00 0.00 0.00 0.00 54.97 54.42 1nir s GLU 228 Cb -0.07 0.51 -0.04 0.00 2.00 0.00 0.00 34.13 36.53 1nir s GLU 228 CO 0.01 -0.45 -0.21 0.45 -0.56 0.00 0.00 175.26 174.50 1nir s SER 229 N -2.58 2.85 -0.08 -1.70 0.15 -1.26 -1.00 113.70 110.08 1nir s SER 229 Ca 0.00 -0.82 -0.29 0.00 0.70 0.00 0.00 55.95 55.54 1nir s SER 229 Cb 0.00 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1nir s SER 229 CO -0.10 0.03 1.74 -0.94 1.20 0.00 0.00 173.24 175.17 1nir s SER 230 N -2.47 6.50 -0.03 5.45 1.04 -0.73 -4.66 113.70 118.79 1nir s SER 230 Ca 0.15 2.17 0.10 0.00 0.48 0.00 0.00 55.95 58.84 1nir s SER 230 Cb -0.07 -2.53 0.29 0.00 0.10 0.00 0.00 66.02 63.80 1nir s SER 230 CO 0.07 -1.08 1.23 0.29 0.98 0.00 0.00 173.24 174.73 1nir n LYS 231 N 7.41 2.86 -2.94 4.02 5.02 -1.26 -4.43 118.16 128.84 1nir n LYS 231 Ca 0.19 -2.08 -0.37 0.00 -2.02 0.00 0.00 58.31 54.02 1nir n LYS 231 Cb 0.43 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1nir n LYS 231 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1nir s PHE 232 N -1.30 3.72 -0.02 2.13 5.36 -1.24 -4.74 117.98 121.89 1nir s PHE 232 Ca 0.22 1.61 -0.37 0.00 -0.96 0.00 0.00 56.93 57.43 1nir s PHE 232 Cb 0.14 -2.78 -0.16 0.00 -0.34 0.00 0.00 43.02 39.87 1nir s PHE 232 CO 0.12 0.32 1.51 1.63 -1.46 0.00 0.00 175.22 177.33 1nir n LYS 233 N 0.82 1.29 -0.25 10.12 4.76 -1.26 -1.62 118.16 132.02 1nir n LYS 233 Ca -0.01 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1nir n LYS 233 Cb 0.50 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 1nir n LYS 233 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nir n GLY 234 N 3.18 0.69 0.58 0.72 0.00 -1.26 -4.95 105.19 104.16 1nir n GLY 234 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1nir n GLY 234 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nir n TYR 235 N -2.00 0.00 -1.69 1.61 4.02 -0.64 -5.02 117.16 113.44 1nir n TYR 235 Ca 0.00 -1.35 -0.43 0.00 -0.01 0.00 0.00 57.90 56.11 1nir n TYR 235 Cb 0.00 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 1nir n TYR 235 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1nir n GLU 236 N -1.06 2.67 -1.48 -0.72 1.02 -1.26 -1.67 120.64 118.14 1nir n GLU 236 Ca 0.18 0.97 -0.17 0.00 -0.02 0.00 0.00 57.16 58.12 1nir n GLU 236 Cb 0.71 -2.85 -0.07 0.00 -0.02 0.00 0.00 31.44 29.21 1nir n GLU 236 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nir n ASP 237 N 5.65 -5.09 -0.03 1.62 8.00 -1.26 -4.91 116.55 120.53 1nir n ASP 237 Ca 0.19 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 55.98 1nir n ASP 237 Cb 0.36 -4.04 -0.10 0.00 -0.02 0.00 0.00 41.12 37.31 1nir n ASP 237 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1nir h ARG 238 N 0.01 -0.04 -4.26 -1.24 2.47 -1.61 -3.23 114.38 106.47 1nir h ARG 238 Ca -0.34 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.16 1nir h ARG 238 Cb 1.11 0.01 -0.21 0.00 -1.65 0.00 0.00 29.97 29.23 1nir h ARG 238 CO 0.50 0.66 -0.72 0.71 0.56 0.00 0.00 179.97 181.68 1nir s TYR 239 N -2.84 0.45 -0.04 3.04 2.02 -1.26 -0.30 117.35 118.42 1nir s TYR 239 Ca -0.16 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.10 1nir s TYR 239 Cb -0.01 -0.29 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1nir s TYR 239 CO 0.59 -0.13 -0.20 0.99 -1.57 0.00 0.00 175.55 175.23 1nir s THR 240 N -1.37 1.64 0.12 -0.71 2.01 -0.44 -1.78 115.64 115.11 1nir s THR 240 Ca -0.13 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.10 1nir s THR 240 Cb -0.10 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1nir s THR 240 CO -0.00 0.47 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.72 1nir s ILE 241 N -0.10 1.46 -0.08 1.82 2.07 -0.17 -0.12 121.20 126.08 1nir s ILE 241 Ca -0.02 -1.65 -0.10 0.00 -1.41 0.00 0.00 60.65 57.47 1nir s ILE 241 Cb -0.12 -1.51 0.02 0.00 0.13 0.00 0.00 42.46 40.99 1nir s ILE 241 CO 0.02 -0.29 0.27 0.00 -1.91 0.00 0.00 174.94 173.02 1nir s ALA 242 N -1.77 -0.66 -0.09 1.50 0.00 -0.42 -0.52 121.76 119.79 1nir s ALA 242 Ca 0.08 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1nir s ALA 242 Cb -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1nir s ALA 242 CO 0.04 -0.16 -0.01 0.20 0.00 0.00 0.00 175.76 175.83 1nir s GLY 243 N -0.22 1.82 0.10 0.00 0.00 -0.62 -1.18 107.32 107.22 1nir s GLY 243 Ca -0.03 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1nir s GLY 243 CO 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 173.10 172.47 1nir s ALA 244 N -0.74 2.92 -0.07 3.20 0.00 -0.39 -3.43 121.76 123.26 1nir s ALA 244 Ca 0.11 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 1nir s ALA 244 Cb -0.12 -0.87 -0.30 0.00 0.00 0.00 0.00 23.12 21.84 1nir s ALA 244 CO 0.02 0.64 0.71 1.88 0.00 0.00 0.00 175.76 179.01 1nir h TYR 245 N 3.66 0.57 -3.25 0.00 -1.99 -0.38 -2.91 116.97 112.67 1nir h TYR 245 Ca -0.49 -0.42 -0.29 0.00 2.00 0.00 0.00 58.73 59.53 1nir h TYR 245 Cb 1.17 -0.02 -0.35 0.00 2.00 0.00 0.00 36.73 39.53 1nir h TYR 245 CO 0.60 1.50 -0.66 -0.46 -0.00 0.00 0.00 178.16 179.15 1nir s TRP 246 N -2.49 -0.10 0.74 4.88 -0.11 -1.06 -3.68 118.94 117.12 1nir s TRP 246 Ca -0.16 0.43 -0.11 0.00 1.22 0.00 0.00 56.10 57.48 1nir s TRP 246 Cb 0.03 -0.24 0.03 0.00 -1.50 0.00 0.00 33.47 31.80 1nir s TRP 246 CO 0.82 -0.19 1.07 -2.14 -4.62 0.00 0.00 176.95 171.89 1nir s PRO 247 N 1.72 2.58 -0.91 5.86 0.02 -1.26 0.04 135.00 143.04 1nir s PRO 247 Ca -0.02 0.96 -0.25 0.00 0.02 0.00 0.00 61.00 61.70 1nir s PRO 247 Cb -0.12 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 1nir s PRO 247 CO -0.05 -1.36 2.09 -2.14 -0.33 0.00 0.00 177.00 175.22 1nir s PRO 248 N -5.02 2.18 0.29 5.54 0.02 -1.24 -4.60 135.00 132.17 1nir s PRO 248 Ca 0.59 -0.16 -0.20 0.00 0.02 0.00 0.00 61.00 61.25 1nir s PRO 248 Cb -0.15 -4.99 0.03 0.00 0.02 0.00 0.00 34.50 29.41 1nir s PRO 248 CO 0.55 -3.89 0.76 1.14 -0.33 0.00 0.00 177.00 175.23 1nir s GLN 249 N 7.60 1.83 -0.03 5.54 -2.07 -1.26 -1.42 119.66 129.86 1nir s GLN 249 Ca 0.77 -1.06 -0.04 0.00 -1.82 0.00 0.00 55.36 53.21 1nir s GLN 249 Cb -0.08 0.59 0.01 0.00 -1.09 0.00 0.00 33.01 32.44 1nir s GLN 249 CO 0.04 -0.84 0.10 -0.59 -1.32 0.00 0.00 175.29 172.68 1nir s PHE 250 N -3.50 -0.07 0.10 9.60 -0.12 -0.83 -1.26 117.98 121.89 1nir s PHE 250 Ca 0.12 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.26 1nir s PHE 250 Cb -0.05 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 1nir s PHE 250 CO 0.08 -0.10 -0.21 0.00 -0.05 0.00 0.00 175.22 174.93 1nir s ALA 251 N -0.28 1.85 -0.14 1.99 0.00 -0.32 -1.41 121.76 123.45 1nir s ALA 251 Ca -0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1nir s ALA 251 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1nir s ALA 251 CO 0.00 0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.45 1nir s ILE 252 N -1.12 3.14 0.31 0.00 1.01 0.08 -1.31 121.20 123.32 1nir s ILE 252 Ca 0.07 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1nir s ILE 252 Cb -0.10 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 1nir s ILE 252 CO 0.04 0.51 -0.03 -0.04 0.00 0.00 0.00 174.94 175.42 1nir s MET 253 N 0.49 1.64 0.08 2.79 -1.94 0.83 -0.88 119.30 122.31 1nir s MET 253 Ca -0.08 -1.86 -0.31 0.00 -1.71 0.00 0.00 55.69 51.73 1nir s MET 253 Cb -0.15 -1.21 -0.08 0.00 2.01 0.00 0.00 34.83 35.40 1nir s MET 253 CO 0.04 -0.00 1.48 0.34 -0.01 0.00 0.00 175.02 176.87 1nir s ASP 254 N -3.50 6.75 0.23 3.03 -1.08 -0.33 -1.33 116.67 120.44 1nir s ASP 254 Ca 0.32 2.34 0.19 0.00 -0.52 0.00 0.00 52.55 54.88 1nir s ASP 254 Cb 0.05 -2.57 0.92 0.00 -1.46 0.00 0.00 42.92 39.86 1nir s ASP 254 CO 0.14 -0.75 1.59 0.61 0.52 0.00 0.00 175.17 177.28 1nir n GLY 255 N 3.70 -1.00 0.06 2.66 0.00 0.59 0.14 105.19 111.34 1nir n GLY 255 Ca 0.13 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 1nir n GLY 255 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nir n GLU 256 N -2.10 1.55 0.00 1.61 -0.58 -1.22 -4.74 120.64 115.16 1nir n GLU 256 Ca 0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1nir n GLU 256 Cb 0.12 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1nir n GLU 256 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1nir n THR 257 N -2.48 0.00 -1.13 2.62 -2.24 -1.18 -4.83 114.28 105.05 1nir n THR 257 Ca -0.21 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1nir n THR 257 Cb 0.91 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 70.13 1nir n THR 257 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nir n LEU 258 N -0.72 -0.20 -4.68 3.22 4.77 0.12 -4.79 117.00 114.72 1nir n LEU 258 Ca 0.00 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1nir n LEU 258 Cb 0.00 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1nir n LEU 258 CO 0.00 -0.34 1.40 -0.70 -1.33 0.00 0.00 177.39 176.42 1nir s GLU 259 N -1.89 4.18 0.14 3.23 2.12 -1.25 -4.55 118.70 120.68 1nir s GLU 259 Ca 0.00 2.40 -0.31 0.00 0.36 0.00 0.00 54.97 57.41 1nir s GLU 259 Cb 0.00 -3.73 -0.10 0.00 0.26 0.00 0.00 34.13 30.56 1nir s GLU 259 CO 0.00 -0.80 1.72 -1.25 -0.54 0.00 0.00 175.26 174.39 1nir s PRO 260 N 3.11 4.16 -0.08 4.30 0.05 -1.26 -1.19 135.00 144.09 1nir s PRO 260 Ca 0.77 2.50 -0.06 0.00 0.05 0.00 0.00 61.00 64.26 1nir s PRO 260 Cb -0.40 -3.38 -0.04 0.00 0.05 0.00 0.00 34.50 30.72 1nir s PRO 260 CO 0.34 -0.75 -0.15 1.63 0.05 0.00 0.00 177.00 178.12 1nir n LYS 261 N 4.92 0.24 -4.02 4.56 4.76 -0.05 -4.94 118.16 123.62 1nir n LYS 261 Ca 0.16 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.58 1nir n LYS 261 Cb 0.38 -0.90 -0.13 0.00 -1.84 0.00 0.00 35.03 32.54 1nir n LYS 261 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1nir s GLN 262 N -2.28 0.32 -0.11 1.97 -1.52 -0.96 -5.01 119.66 112.07 1nir s GLN 262 Ca -0.15 -0.38 -0.00 0.00 -1.95 0.00 0.00 55.36 52.88 1nir s GLN 262 Cb 0.04 -0.16 0.02 0.00 -0.22 0.00 0.00 33.01 32.70 1nir s GLN 262 CO 0.19 0.03 -0.09 0.42 -0.25 0.00 0.00 175.29 175.60 1nir s ILE 263 N -0.72 1.12 -0.11 1.08 1.01 -1.26 -0.74 121.20 121.58 1nir s ILE 263 Ca -0.06 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1nir s ILE 263 Cb -0.05 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1nir s ILE 263 CO -0.00 0.38 -0.21 -0.69 0.00 0.00 0.00 174.94 174.42 1nir s VAL 264 N 1.57 1.89 0.25 2.92 1.01 -0.50 -4.99 120.40 122.55 1nir s VAL 264 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1nir s VAL 264 Cb -0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1nir s VAL 264 CO -0.07 0.52 1.04 -0.55 0.00 0.00 0.00 175.10 176.04 1nir s SER 265 N 0.60 7.41 0.00 3.32 0.15 -1.26 -1.97 113.70 121.94 1nir s SER 265 Ca -0.13 2.13 0.17 0.00 0.70 0.00 0.00 55.95 58.81 1nir s SER 265 Cb -0.17 -2.62 0.21 0.00 -1.71 0.00 0.00 66.02 61.74 1nir s SER 265 CO 0.04 -0.05 1.12 0.35 1.20 0.00 0.00 173.24 175.90 1nir n THR 266 N 1.48 0.22 -1.73 6.45 -2.24 -0.51 -4.93 114.28 113.02 1nir n THR 266 Ca -0.01 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1nir n THR 266 Cb 0.46 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 1nir n THR 266 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nir n ARG 267 N 0.99 2.78 -2.74 -0.78 1.74 -1.26 -4.56 116.66 112.84 1nir n ARG 267 Ca 0.12 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1nir n ARG 267 Cb 0.45 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 1nir n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nir n GLY 268 N 3.37 -0.57 3.78 -0.13 0.00 -1.08 -5.03 105.19 105.53 1nir n GLY 268 Ca 0.13 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1nir n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nir s MET 269 N -0.64 4.47 0.53 1.61 -1.94 -1.26 -0.80 119.30 121.28 1nir s MET 269 Ca 0.00 1.05 -0.18 0.00 -1.71 0.00 0.00 55.69 54.84 1nir s MET 269 Cb 0.00 -3.27 -0.06 0.00 2.01 0.00 0.00 34.83 33.51 1nir s MET 269 CO 0.00 0.55 1.04 0.95 -0.01 0.00 0.00 175.02 177.55 1nir s THR 270 N -0.99 3.82 0.14 2.05 -4.23 -0.56 -4.87 115.64 111.01 1nir s THR 270 Ca 0.34 1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 61.78 1nir s THR 270 Cb -0.22 -3.43 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1nir s THR 270 CO 0.24 -0.37 1.40 1.62 -0.54 0.00 0.00 174.62 176.97 1nir h VAL 271 N 1.06 1.30 0.07 2.29 3.04 -1.09 -2.21 116.25 120.71 1nir h VAL 271 Ca -0.48 -1.88 -0.00 0.00 -1.01 0.00 0.00 66.70 63.32 1nir h VAL 271 Cb 1.22 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1nir h VAL 271 CO 0.58 0.59 -0.04 -2.24 -1.01 0.00 0.00 177.57 175.46 1nir h ASP 272 N 0.52 -0.08 0.84 3.17 2.03 -1.94 -3.38 116.42 117.57 1nir h ASP 272 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1nir h ASP 272 Cb 1.24 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1nir h ASP 272 CO 0.13 0.06 -0.33 0.35 -1.03 0.00 0.00 179.24 178.42 1nir n THR 273 N -2.92 0.15 -3.75 1.15 -2.24 -1.26 -4.95 114.28 100.47 1nir n THR 273 Ca -0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 1nir n THR 273 Cb 0.04 -0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1nir n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nir n GLN 274 N -1.73 -4.52 -4.41 -0.78 6.02 -0.83 -4.97 117.38 106.16 1nir n GLN 274 Ca 0.05 0.58 -0.21 0.00 -0.01 0.00 0.00 57.00 57.41 1nir n GLN 274 Cb 0.37 -5.04 -0.10 0.00 1.02 0.00 0.00 30.24 26.49 1nir n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1nir s THR 275 N -3.72 1.96 0.09 5.09 -4.23 -1.26 -4.81 115.64 108.75 1nir s THR 275 Ca 0.01 -2.25 -0.30 0.00 -1.18 0.00 0.00 61.69 57.97 1nir s THR 275 Cb -0.00 -2.24 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 1nir s THR 275 CO 0.83 -0.46 1.14 -0.47 -0.54 0.00 0.00 174.62 175.12 1nir s TYR 276 N -2.83 3.51 -0.16 3.99 5.04 -1.26 -1.49 117.35 124.15 1nir s TYR 276 Ca 0.27 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1nir s TYR 276 Cb -0.01 -3.33 0.02 0.00 0.35 0.00 0.00 41.96 38.98 1nir s TYR 276 CO 0.11 -0.90 -0.19 -1.58 -1.34 0.00 0.00 175.55 171.65 1nir s HIS 277 N 0.67 2.58 -1.88 4.97 5.65 0.02 -4.95 115.29 122.35 1nir s HIS 277 Ca 0.55 -1.42 0.31 0.00 0.25 0.00 0.00 55.06 54.75 1nir s HIS 277 Cb -0.28 -1.79 1.78 0.00 -1.18 0.00 0.00 32.58 31.11 1nir s HIS 277 CO 0.31 -0.70 2.17 -0.35 -0.65 0.00 0.00 174.74 175.52 1nir n PRO 278 N 4.44 0.88 -3.04 2.88 -0.04 -1.26 -2.64 135.00 136.22 1nir n PRO 278 Ca -0.20 -0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.06 1nir n PRO 278 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1nir n PRO 278 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nir n GLU 279 N -1.03 0.85 -2.78 0.54 2.13 -1.26 -4.90 120.64 114.20 1nir n GLU 279 Ca 0.21 -2.79 -0.43 0.00 0.66 0.00 0.00 57.16 54.82 1nir n GLU 279 Cb 0.15 -1.38 -0.03 0.00 0.27 0.00 0.00 31.44 30.45 1nir n GLU 279 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1nir s PRO 280 N -0.98 3.33 0.18 5.31 0.02 -1.26 -4.82 135.00 136.78 1nir s PRO 280 Ca 0.34 -1.03 -0.31 0.00 0.02 0.00 0.00 61.00 60.02 1nir s PRO 280 Cb 0.25 -4.59 -0.10 0.00 0.02 0.00 0.00 34.50 30.08 1nir s PRO 280 CO -0.12 -1.93 1.48 1.03 -0.33 0.00 0.00 177.00 177.14 1nir s ARG 281 N 4.12 4.26 -0.01 5.54 0.52 -1.26 -4.71 118.95 127.42 1nir s ARG 281 Ca 0.31 2.27 -0.30 0.00 -0.52 0.00 0.00 55.73 57.49 1nir s ARG 281 Cb -0.09 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1nir s ARG 281 CO 0.02 -0.50 1.06 0.08 0.02 0.00 0.00 175.30 175.98 1nir s VAL 282 N 0.76 4.59 0.00 3.52 1.01 -1.10 -1.52 120.40 127.67 1nir s VAL 282 Ca 0.65 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.50 1nir s VAL 282 Cb -0.41 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1nir s VAL 282 CO 0.35 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.56 1nir n ALA 283 N 4.22 0.00 -1.76 5.51 0.00 0.34 -4.56 120.51 124.26 1nir n ALA 283 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1nir n ALA 283 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1nir n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nir s ALA 284 N -2.66 2.90 -0.03 0.00 0.00 -0.86 -4.56 121.76 116.56 1nir s ALA 284 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1nir s ALA 284 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1nir s ALA 284 CO 0.00 -1.14 -0.08 0.42 0.00 0.00 0.00 175.76 174.95 1nir s ILE 285 N -1.36 0.75 0.00 0.00 1.01 -1.26 -1.39 121.20 118.95 1nir s ILE 285 Ca 0.68 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1nir s ILE 285 Cb -0.37 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1nir s ILE 285 CO 0.45 0.25 -0.04 -0.51 0.00 0.00 0.00 174.94 175.08 1nir s ILE 286 N 0.37 0.29 -0.11 2.92 2.07 0.07 -4.87 121.20 121.95 1nir s ILE 286 Ca -0.06 -0.29 -0.22 0.00 -1.41 0.00 0.00 60.65 58.66 1nir s ILE 286 Cb -0.10 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 1nir s ILE 286 CO 0.01 -0.01 0.66 0.00 -1.91 0.00 0.00 174.94 173.69 1nir s ALA 287 N -0.30 3.41 0.33 1.50 0.00 -1.26 -0.37 121.76 125.06 1nir s ALA 287 Ca -0.01 -0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 1nir s ALA 287 Cb -0.03 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1nir s ALA 287 CO -0.00 -0.22 1.10 0.45 0.00 0.00 0.00 175.76 177.09 1nir s SER 288 N 0.88 7.04 -0.01 0.00 0.15 -0.40 -4.84 113.70 116.52 1nir s SER 288 Ca 0.34 2.23 0.19 0.00 0.70 0.00 0.00 55.95 59.41 1nir s SER 288 Cb -0.17 -2.62 -0.25 0.00 -1.71 0.00 0.00 66.02 61.28 1nir s SER 288 CO 0.15 -0.30 0.68 1.41 1.20 0.00 0.00 173.24 176.38 1nir n HIS 289 N 0.72 0.00 0.03 3.44 8.25 -1.26 -3.69 115.22 122.71 1nir n HIS 289 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1nir n HIS 289 Cb 0.46 -0.16 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 1nir n HIS 289 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1nir h GLU 290 N 0.00 0.15 -3.94 -0.41 4.39 -1.88 -3.44 114.58 109.46 1nir h GLU 290 Ca 0.00 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 1nir h GLU 290 Cb 0.62 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.20 1nir h GLU 290 CO 0.00 0.93 -0.55 -1.01 -1.16 0.00 0.00 179.01 177.22 1nir s HIS 291 N -2.61 0.29 -1.22 4.33 3.76 -1.26 -5.01 115.29 113.56 1nir s HIS 291 Ca -0.09 -0.68 -0.21 0.00 -0.15 0.00 0.00 55.06 53.94 1nir s HIS 291 Cb 0.07 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 1nir s HIS 291 CO 0.83 -0.39 1.87 -0.35 -0.85 0.00 0.00 174.74 175.85 1nir n PRO 292 N 0.49 2.19 -3.77 8.40 -0.04 -1.26 -4.54 135.00 136.46 1nir n PRO 292 Ca -0.17 -2.74 -0.10 0.00 -0.04 0.00 0.00 63.50 60.45 1nir n PRO 292 Cb 0.60 -3.62 -0.07 0.00 -0.04 0.00 0.00 33.50 30.37 1nir n PRO 292 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nir s GLU 293 N 5.57 0.87 -0.13 0.54 2.02 -1.26 -1.72 118.70 124.59 1nir s GLU 293 Ca 0.63 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1nir s GLU 293 Cb 0.02 0.37 -0.02 0.00 0.10 0.00 0.00 34.13 34.59 1nir s GLU 293 CO 0.11 -0.29 -0.09 -0.06 0.02 0.00 0.00 175.26 174.95 1nir s PHE 294 N -3.27 2.89 -0.40 1.61 0.08 -0.17 -1.28 117.98 117.43 1nir s PHE 294 Ca 0.00 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1nir s PHE 294 Cb 0.02 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1nir s PHE 294 CO -0.08 -0.05 0.27 0.42 -0.10 0.00 0.00 175.22 175.68 1nir s ILE 295 N 0.13 4.94 -0.12 0.64 1.01 0.50 -0.75 121.20 127.55 1nir s ILE 295 Ca -0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1nir s ILE 295 Cb -0.14 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1nir s ILE 295 CO 0.04 -0.33 -0.07 -0.69 0.00 0.00 0.00 174.94 173.89 1nir s VAL 296 N 1.61 3.63 -0.19 2.92 1.01 0.28 -0.75 120.40 128.92 1nir s VAL 296 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1nir s VAL 296 Cb -0.20 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1nir s VAL 296 CO 0.08 0.54 0.28 0.20 0.00 0.00 0.00 175.10 176.19 1nir s ASN 297 N -0.06 6.36 -0.36 3.32 -0.87 -0.48 -0.56 114.94 122.28 1nir s ASN 297 Ca 0.00 0.41 -0.02 0.00 -1.57 0.00 0.00 52.86 51.68 1nir s ASN 297 Cb -0.13 -2.17 0.08 0.00 -0.02 0.00 0.00 41.25 39.00 1nir s ASN 297 CO 0.03 0.06 0.10 -0.69 -2.57 0.00 0.00 177.10 174.03 1nir s VAL 298 N 0.76 3.16 0.00 1.60 1.01 0.19 -0.50 120.40 126.62 1nir s VAL 298 Ca 0.15 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1nir s VAL 298 Cb -0.13 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1nir s VAL 298 CO 0.04 -0.41 0.00 1.17 0.00 0.00 0.00 175.10 175.91 1nir n LYS 299 N 4.61 0.00 -0.32 2.72 4.81 -0.57 -1.31 118.16 128.10 1nir n LYS 299 Ca -0.07 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.58 1nir n LYS 299 Cb 0.42 -0.38 0.48 0.00 0.02 0.00 0.00 35.03 35.57 1nir n LYS 299 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1nir h GLU 300 N 0.00 0.43 0.00 1.64 3.07 -1.87 0.48 114.58 118.33 1nir h GLU 300 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1nir h GLU 300 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1nir h GLU 300 CO 0.00 0.28 -0.41 0.25 -1.40 0.00 0.00 179.01 177.73 1nir n THR 301 N -4.64 0.23 -3.51 1.13 -2.24 -1.25 -4.50 114.28 99.51 1nir n THR 301 Ca 0.24 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1nir n THR 301 Cb 0.82 -0.14 0.07 0.00 -2.10 0.00 0.00 70.33 68.98 1nir n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nir n GLY 302 N 1.40 -0.34 3.36 3.38 0.00 0.05 -0.53 105.19 112.52 1nir n GLY 302 Ca 0.05 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1nir n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 303 N -5.54 2.43 -0.30 1.61 3.01 -0.88 -1.49 119.74 118.57 1nir s LYS 303 Ca 0.01 -0.83 -0.03 0.00 -1.01 0.00 0.00 55.97 54.11 1nir s LYS 303 Cb -0.01 -2.22 0.04 0.00 -1.01 0.00 0.00 37.83 34.63 1nir s LYS 303 CO 0.75 0.52 0.02 0.08 0.51 0.00 0.00 175.35 177.23 1nir s VAL 304 N -0.48 3.26 -0.17 3.17 1.01 0.47 -0.63 120.40 127.02 1nir s VAL 304 Ca 0.06 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 1nir s VAL 304 Cb -0.11 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1nir s VAL 304 CO 0.01 -0.07 0.11 -0.76 0.00 0.00 0.00 175.10 174.40 1nir s LEU 305 N 1.32 4.16 -0.52 3.92 1.43 0.27 -0.62 118.68 128.64 1nir s LEU 305 Ca -0.03 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1nir s LEU 305 Cb -0.19 -2.05 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1nir s LEU 305 CO -0.00 0.24 0.44 -0.76 0.23 0.00 0.00 176.35 176.50 1nir s LEU 306 N -0.02 5.99 -0.48 1.79 1.43 -0.18 -0.56 118.68 126.65 1nir s LEU 306 Ca 0.09 -1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 51.12 1nir s LEU 306 Cb -0.11 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1nir s LEU 306 CO -0.00 -0.78 0.55 -0.69 0.23 0.00 0.00 176.35 175.66 1nir s VAL 307 N 1.43 4.98 -0.12 -1.59 1.01 0.07 -1.78 120.40 124.40 1nir s VAL 307 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1nir s VAL 307 Cb -0.28 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1nir s VAL 307 CO 0.01 -0.70 1.12 0.21 0.00 0.00 0.00 175.10 175.74 1nir s ASN 308 N 2.53 7.11 -0.19 3.32 3.84 -0.71 -1.00 114.94 129.84 1nir s ASN 308 Ca 0.12 1.63 0.16 0.00 0.21 0.00 0.00 52.86 54.98 1nir s ASN 308 Cb -0.20 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.49 1nir s ASN 308 CO 0.11 -0.58 1.44 0.00 -2.79 0.00 0.00 177.10 175.28 1nir n TYR 309 N 5.53 1.00 0.28 0.43 0.18 -0.70 -4.20 117.16 119.69 1nir n TYR 309 Ca 0.11 -0.91 0.15 0.00 1.88 0.00 0.00 57.90 59.13 1nir n TYR 309 Cb 0.47 -0.33 0.81 0.00 -0.38 0.00 0.00 39.34 39.90 1nir n TYR 309 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1nir h LYS 310 N 1.84 0.00 -1.74 -3.48 3.64 -1.93 -3.31 116.57 111.59 1nir h LYS 310 Ca 0.01 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 1nir h LYS 310 Cb 1.48 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 33.02 1nir h LYS 310 CO 0.24 0.08 -0.61 0.34 -2.27 0.00 0.00 179.45 177.24 1nir s ASP 311 N -5.97 0.56 0.00 4.20 -1.08 -1.26 -5.02 116.67 108.10 1nir s ASP 311 Ca -0.03 -1.09 0.29 0.00 -0.52 0.00 0.00 52.55 51.21 1nir s ASP 311 Cb 0.13 0.93 1.36 0.00 -1.46 0.00 0.00 42.92 43.88 1nir s ASP 311 CO 0.55 -0.28 1.96 2.30 0.52 0.00 0.00 175.17 180.22 1nir n ILE 312 N 4.63 0.00 0.06 4.11 -5.35 -1.25 -3.63 119.36 117.93 1nir n ILE 312 Ca 0.08 -0.02 -0.21 0.00 -0.27 0.00 0.00 62.75 62.33 1nir n ILE 312 Cb 0.48 -0.34 -0.12 0.00 -1.74 0.00 0.00 39.64 37.93 1nir n ILE 312 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1nir h ASP 313 N 0.18 0.90 -3.75 7.28 3.32 -1.95 -3.37 116.42 119.03 1nir h ASP 313 Ca 0.00 -0.77 -0.63 0.00 0.02 0.00 0.00 57.03 55.65 1nir h ASP 313 Cb 0.34 -0.28 -0.41 0.00 0.22 0.00 0.00 39.33 39.19 1nir h ASP 313 CO 0.00 1.57 -0.63 0.20 -1.72 0.00 0.00 179.24 178.67 1nir s ASN 314 N -7.35 4.38 0.11 6.45 0.02 -1.24 -5.09 114.94 112.22 1nir s ASN 314 Ca -0.10 -3.32 -0.31 0.00 -1.02 0.00 0.00 52.86 48.11 1nir s ASN 314 Cb 0.06 -1.56 -0.09 0.00 0.02 0.00 0.00 41.25 39.69 1nir s ASN 314 CO 0.93 -0.17 1.57 -0.22 0.02 0.00 0.00 177.10 179.23 1nir s LEU 315 N -0.70 4.36 -0.21 0.60 2.96 -1.25 -4.83 118.68 119.62 1nir s LEU 315 Ca 0.21 2.49 -0.04 0.00 -0.22 0.00 0.00 54.13 56.56 1nir s LEU 315 Cb -0.16 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1nir s LEU 315 CO -0.07 -0.82 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.22 1nir s THR 316 N 1.89 3.68 -0.06 3.68 2.01 -1.26 -5.06 115.64 120.52 1nir s THR 316 Ca 0.71 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1nir s THR 316 Cb -0.40 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1nir s THR 316 CO 0.31 0.43 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.83 1nir s VAL 317 N 1.17 1.30 -0.22 3.82 1.01 -1.26 -1.74 120.40 124.48 1nir s VAL 317 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1nir s VAL 317 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1nir s VAL 317 CO 0.00 0.39 0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1nir s THR 318 N 0.47 4.50 -0.33 3.92 2.01 -0.74 -4.95 115.64 120.53 1nir s THR 318 Ca -0.12 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 1nir s THR 318 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1nir s THR 318 CO 0.04 0.38 0.17 -0.55 -0.69 0.00 0.00 174.62 173.97 1nir s SER 319 N 1.16 5.62 -0.23 3.53 0.15 -1.26 -1.01 113.70 121.65 1nir s SER 319 Ca 0.04 -0.66 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 1nir s SER 319 Cb -0.14 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 1nir s SER 319 CO 0.03 -0.25 0.06 -0.63 1.20 0.00 0.00 173.24 173.65 1nir s ILE 320 N 1.60 4.39 0.17 6.45 1.01 0.21 -4.96 121.20 130.06 1nir s ILE 320 Ca 0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1nir s ILE 320 Cb -0.18 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 1nir s ILE 320 CO 0.06 0.37 1.06 -0.83 0.00 0.00 0.00 174.94 175.61 1nir s GLY 321 N 1.29 2.89 0.00 6.18 0.00 -1.26 -0.40 107.32 116.03 1nir s GLY 321 Ca 0.05 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1nir s GLY 321 CO 0.03 1.59 0.00 0.00 0.00 0.00 0.00 173.10 174.72 1nir n ALA 322 N 2.41 0.22 -3.44 3.20 0.00 -0.56 -4.83 120.51 117.50 1nir n ALA 322 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1nir n ALA 322 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1nir n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nir s ALA 323 N -2.00 -1.44 0.54 0.00 0.00 -1.23 -5.01 121.76 112.62 1nir s ALA 323 Ca 0.00 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 1nir s ALA 323 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1nir s ALA 323 CO 0.00 -0.32 1.28 -2.30 0.00 0.00 0.00 175.76 174.42 1nir n PRO 324 N 1.48 1.56 -2.62 0.00 -0.02 -1.26 -3.95 135.00 130.20 1nir n PRO 324 Ca -0.18 0.58 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1nir n PRO 324 Cb 0.56 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1nir n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1nir n PHE 325 N -1.07 -0.87 -1.86 6.00 3.72 -0.55 -4.20 117.46 118.64 1nir n PHE 325 Ca 0.11 0.35 -0.41 0.00 -0.05 0.00 0.00 57.45 57.45 1nir n PHE 325 Cb 0.44 -2.97 -0.00 0.00 -0.94 0.00 0.00 39.48 36.01 1nir n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nir s LEU 326 N -3.53 4.33 0.00 4.37 1.43 -1.14 -3.23 118.68 120.91 1nir s LEU 326 Ca 0.05 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1nir s LEU 326 Cb -0.02 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1nir s LEU 326 CO 0.27 -0.82 0.00 1.57 0.23 0.00 0.00 176.35 177.59 1nir n HIS 327 N 0.49 0.00 -3.03 0.29 -0.00 0.23 -4.11 115.22 109.09 1nir n HIS 327 Ca 0.01 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.00 1nir n HIS 327 Cb 0.40 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.31 1nir n HIS 327 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1nir s ASP 328 N 1.00 5.32 0.00 0.26 -4.77 -1.26 -2.02 116.67 115.20 1nir s ASP 328 Ca 0.00 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 1nir s ASP 328 Cb 0.00 -0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.75 1nir s ASP 328 CO 0.00 -1.11 0.00 0.61 0.70 0.00 0.00 175.17 175.37 1nir n GLY 329 N -2.08 -0.84 3.82 2.12 0.00 0.52 -0.75 105.19 107.97 1nir n GLY 329 Ca 0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 1nir n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nir s GLY 330 N 0.00 0.02 0.87 -0.02 0.00 -0.45 -4.17 107.32 103.57 1nir s GLY 330 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1nir s GLY 330 CO 0.00 0.43 1.10 -0.98 0.00 0.00 0.00 173.10 173.64 1nir s TRP 331 N -2.96 2.17 0.44 1.90 0.23 -1.26 -0.75 118.94 118.71 1nir s TRP 331 Ca 0.15 1.49 -0.04 0.00 -2.03 0.00 0.00 56.10 55.67 1nir s TRP 331 Cb -0.04 -3.16 0.10 0.00 0.03 0.00 0.00 33.47 30.40 1nir s TRP 331 CO 0.06 -2.38 0.60 -0.40 0.96 0.00 0.00 176.95 175.79 1nir n ASP 332 N -3.91 0.39 -0.09 2.95 5.75 -0.69 -4.84 116.55 116.11 1nir n ASP 332 Ca 0.09 -1.43 0.01 0.00 -0.01 0.00 0.00 54.79 53.45 1nir n ASP 332 Cb 0.54 -0.43 0.30 0.00 -1.03 0.00 0.00 41.12 40.50 1nir n ASP 332 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1nir h SER 333 N -0.60 0.65 1.14 -1.12 4.64 -1.88 -2.65 113.55 113.73 1nir h SER 333 Ca -0.20 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1nir h SER 333 Cb 0.63 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1nir h SER 333 CO 0.17 0.55 -0.14 -1.54 -0.87 0.00 0.00 176.83 175.01 1nir n SER 334 N -4.38 0.50 -2.31 4.97 3.41 -1.26 -4.95 113.62 109.60 1nir n SER 334 Ca 0.04 0.41 -0.14 0.00 -0.26 0.00 0.00 58.87 58.92 1nir n SER 334 Cb 0.12 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1nir n SER 334 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nir n HIS 335 N -1.92 -1.69 0.00 7.33 8.25 -1.00 -4.92 115.22 121.27 1nir n HIS 335 Ca 0.06 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1nir n HIS 335 Cb 0.39 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1nir n HIS 335 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nir n ARG 336 N -3.13 0.11 -3.72 -0.41 0.63 -1.26 -4.68 116.66 104.20 1nir n ARG 336 Ca 0.01 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.57 1nir n ARG 336 Cb 0.54 -0.98 -0.12 0.00 0.45 0.00 0.00 32.46 32.35 1nir n ARG 336 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1nir s TYR 337 N -1.96 3.13 -0.47 -0.14 2.02 -1.26 -1.76 117.35 116.91 1nir s TYR 337 Ca 0.00 -0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 1nir s TYR 337 Cb 0.00 -2.27 0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1nir s TYR 337 CO 0.00 -0.27 0.87 0.12 -1.57 0.00 0.00 175.55 174.70 1nir s PHE 338 N 1.59 2.93 -0.56 2.71 5.36 0.04 -1.71 117.98 128.35 1nir s PHE 338 Ca 0.06 0.24 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 1nir s PHE 338 Cb -0.15 -3.87 0.08 0.00 -0.34 0.00 0.00 43.02 38.74 1nir s PHE 338 CO 0.06 -1.09 0.69 -1.64 -1.46 0.00 0.00 175.22 171.77 1nir s MET 339 N 3.60 3.08 0.13 10.12 -1.94 0.07 -1.09 119.30 133.26 1nir s MET 339 Ca 0.33 -1.10 0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1nir s MET 339 Cb -0.11 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.50 1nir s MET 339 CO 0.24 -1.42 -0.24 -0.08 -0.01 0.00 0.00 175.02 173.51 1nir s THR 340 N 2.75 2.46 -0.14 2.05 -1.32 -0.56 -1.34 115.64 119.54 1nir s THR 340 Ca 0.14 -1.67 -0.04 0.00 -1.21 0.00 0.00 61.69 58.91 1nir s THR 340 Cb -0.22 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1nir s THR 340 CO 0.09 0.09 -0.00 0.00 -2.21 0.00 0.00 174.62 172.59 1nir s ALA 341 N -1.09 3.18 -0.93 11.08 0.00 0.07 0.54 121.76 134.60 1nir s ALA 341 Ca 0.15 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1nir s ALA 341 Cb -0.10 -1.60 0.30 0.00 0.00 0.00 0.00 23.12 21.72 1nir s ALA 341 CO 0.07 0.34 1.36 0.00 0.00 0.00 0.00 175.76 177.54 1nir n ALA 342 N 3.04 5.11 -0.34 0.00 0.00 0.03 -0.60 120.51 127.76 1nir n ALA 342 Ca -0.18 -4.75 -0.06 0.00 0.00 0.00 0.00 53.44 48.45 1nir n ALA 342 Cb 0.53 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 1nir n ALA 342 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1nir n ASN 343 N 0.76 -0.74 0.00 0.00 0.23 -1.20 0.50 115.26 114.81 1nir n ASN 343 Ca 0.32 1.46 0.06 0.00 -0.53 0.00 0.00 54.58 55.89 1nir n ASN 343 Cb 0.34 -0.24 0.28 0.00 -2.08 0.00 0.00 39.78 38.07 1nir n ASN 343 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nir n ASN 344 N -5.10 0.01 -0.27 0.53 5.03 -1.26 -1.05 115.26 113.14 1nir n ASN 344 Ca 0.04 0.50 0.10 0.00 0.87 0.00 0.00 54.58 56.10 1nir n ASN 344 Cb 0.26 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.46 1nir n ASN 344 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nir n SER 345 N -1.51 1.54 -3.68 6.41 7.64 0.18 -4.98 113.62 119.22 1nir n SER 345 Ca 0.03 -1.27 -0.22 0.00 1.01 0.00 0.00 58.87 58.42 1nir n SER 345 Cb 0.15 0.71 0.04 0.00 -1.01 0.00 0.00 64.21 64.10 1nir n SER 345 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nir n ASN 346 N -0.67 -2.21 -3.93 6.43 3.02 -0.22 -4.99 115.26 112.71 1nir n ASN 346 Ca 0.07 -0.76 -0.08 0.00 -0.03 0.00 0.00 54.58 53.77 1nir n ASN 346 Cb 0.40 -4.28 -0.08 0.00 -0.61 0.00 0.00 39.78 35.21 1nir n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nir s LYS 347 N -5.99 0.78 -0.19 3.52 1.02 -1.21 -2.49 119.74 115.18 1nir s LYS 347 Ca 0.14 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1nir s LYS 347 Cb -0.07 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.58 1nir s LYS 347 CO 0.80 -0.23 -0.14 0.08 -0.92 0.00 0.00 175.35 174.94 1nir s VAL 348 N -3.88 1.83 0.17 3.17 1.01 -0.26 -0.79 120.40 121.65 1nir s VAL 348 Ca 0.06 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1nir s VAL 348 Cb 0.06 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 1nir s VAL 348 CO -0.11 0.31 0.63 0.00 0.00 0.00 0.00 175.10 175.93 1nir s ALA 349 N 1.34 3.51 -0.24 5.51 0.00 0.19 -0.75 121.76 131.32 1nir s ALA 349 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1nir s ALA 349 Cb -0.15 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.35 1nir s ALA 349 CO -0.10 0.39 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 1nir s VAL 350 N -1.44 2.26 -0.29 0.00 1.01 -0.61 -1.49 120.40 119.83 1nir s VAL 350 Ca 0.39 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 1nir s VAL 350 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1nir s VAL 350 CO 0.20 0.15 0.13 -0.63 0.00 0.00 0.00 175.10 174.95 1nir s ILE 351 N 1.18 4.59 -0.56 2.22 -1.09 -0.25 -0.19 121.20 127.10 1nir s ILE 351 Ca -0.04 -0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 57.81 1nir s ILE 351 Cb -0.18 -3.27 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1nir s ILE 351 CO -0.07 0.16 1.12 -0.62 -1.23 0.00 0.00 174.94 174.30 1nir s ASP 352 N 1.63 6.44 0.46 3.58 -1.08 -0.37 -0.78 116.67 126.55 1nir s ASP 352 Ca 0.05 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.37 1nir s ASP 352 Cb -0.16 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.71 1nir s ASP 352 CO 0.06 -1.40 1.83 0.77 0.52 0.00 0.00 175.17 176.95 1nir h SER 353 N 9.45 0.00 0.06 -0.34 4.64 -1.65 0.22 113.55 125.94 1nir h SER 353 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1nir h SER 353 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1nir h SER 353 CO 1.16 0.16 -0.03 0.50 -0.87 0.00 0.00 176.83 177.75 1nir h LYS 354 N 0.00 -0.08 0.00 4.77 3.64 -1.90 -3.36 116.57 119.64 1nir h LYS 354 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nir h LYS 354 Cb 0.75 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1nir h LYS 354 CO 0.02 -0.05 0.00 -0.44 -2.27 0.00 0.00 179.45 176.71 1nir h ASP 355 N -0.77 0.00 -5.32 4.20 3.32 -1.96 -3.48 116.42 112.41 1nir h ASP 355 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1nir h ASP 355 Cb 0.06 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.74 1nir h ASP 355 CO 0.01 0.00 -0.56 0.54 -1.72 0.00 0.00 179.24 177.51 1nir n ARG 356 N -2.94 -1.87 -3.73 3.56 1.74 0.77 -5.04 116.66 109.15 1nir n ARG 356 Ca 0.02 1.04 -0.09 0.00 -0.77 0.00 0.00 57.85 58.04 1nir n ARG 356 Cb 0.35 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.12 1nir n ARG 356 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1nir s ARG 357 N -3.90 1.51 -0.46 5.56 1.70 -1.08 -5.01 118.95 117.28 1nir s ARG 357 Ca 0.30 -0.85 -0.27 0.00 -0.47 0.00 0.00 55.73 54.45 1nir s ARG 357 Cb -0.04 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 1nir s ARG 357 CO 0.71 -0.67 1.00 -1.17 -1.08 0.00 0.00 175.30 174.09 1nir s LEU 358 N -2.87 3.89 0.25 -1.89 2.96 -1.26 -1.23 118.68 118.52 1nir s LEU 358 Ca 0.09 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1nir s LEU 358 Cb -0.03 -3.32 0.30 0.00 0.50 0.00 0.00 46.19 43.64 1nir s LEU 358 CO -0.01 -1.10 1.59 0.28 -1.32 0.00 0.00 176.35 175.80 1nir h SER 359 N 9.06 0.26 -5.98 3.68 0.02 -0.94 -3.48 113.55 116.16 1nir h SER 359 Ca -0.24 -0.14 0.40 0.00 -0.84 0.00 0.00 61.79 60.98 1nir h SER 359 Cb 1.07 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.41 1nir h SER 359 CO 1.06 0.77 1.00 0.00 -1.14 0.00 0.00 176.83 178.51 1nir s ALA 360 N -3.84 -2.58 -0.20 3.77 0.00 -1.22 -5.01 121.76 112.68 1nir s ALA 360 Ca -0.04 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1nir s ALA 360 Cb 0.12 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.72 1nir s ALA 360 CO 0.79 -1.09 0.00 -0.51 0.00 0.00 0.00 175.76 174.95 1nir s LEU 361 N -3.25 1.56 -0.19 0.00 1.43 -1.26 -1.58 118.68 115.40 1nir s LEU 361 Ca 0.19 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 1nir s LEU 361 Cb 0.06 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1nir s LEU 361 CO -0.06 -0.27 0.19 -0.69 0.23 0.00 0.00 176.35 175.75 1nir s VAL 362 N 1.72 5.37 -0.01 -1.59 1.01 0.07 -4.93 120.40 122.04 1nir s VAL 362 Ca -0.02 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1nir s VAL 362 Cb -0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1nir s VAL 362 CO -0.07 0.41 1.06 -1.81 0.00 0.00 0.00 175.10 174.69 1nir s ASP 363 N 0.46 7.24 0.00 3.32 1.01 -1.26 -1.10 116.67 126.33 1nir s ASP 363 Ca 0.11 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.10 1nir s ASP 363 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1nir s ASP 363 CO 0.00 -0.38 0.00 1.33 0.21 0.00 0.00 175.17 176.33 1nir n VAL 364 N 4.12 0.00 -0.96 -1.27 0.24 -1.04 -4.76 118.33 114.65 1nir n VAL 364 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1nir n VAL 364 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1nir n VAL 364 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nir n GLY 365 N 2.88 -0.92 3.63 7.63 0.00 -1.26 -4.88 105.19 112.26 1nir n GLY 365 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1nir n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir s LYS 366 N -2.51 4.03 -0.67 1.61 3.01 -1.26 -4.30 119.74 119.65 1nir s LYS 366 Ca 0.00 0.96 -0.05 0.00 -1.01 0.00 0.00 55.97 55.87 1nir s LYS 366 Cb 0.00 -3.74 0.01 0.00 -1.01 0.00 0.00 37.83 33.08 1nir s LYS 366 CO 0.00 -0.88 0.67 2.41 0.51 0.00 0.00 175.35 178.06 1nir n THR 367 N 5.84 -9.88 -1.89 2.17 -1.04 -1.24 -0.74 114.28 107.51 1nir n THR 367 Ca 0.10 0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.75 1nir n THR 367 Cb 0.47 -6.72 -0.02 0.00 -1.82 0.00 0.00 70.33 62.25 1nir n THR 367 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1nir s PRO 368 N -3.01 4.19 -0.39 -2.82 0.04 -1.26 -1.85 135.00 129.89 1nir s PRO 368 Ca 0.07 2.46 0.09 0.00 0.04 0.00 0.00 61.00 63.65 1nir s PRO 368 Cb -0.02 -3.04 0.26 0.00 0.04 0.00 0.00 34.50 31.74 1nir s PRO 368 CO 0.77 -0.50 0.56 1.58 0.04 0.00 0.00 177.00 179.44 1nir n HIS 369 N 1.74 -0.19 0.02 0.56 -0.00 -0.86 -4.29 115.22 112.21 1nir n HIS 369 Ca 0.05 -3.61 0.00 0.00 0.46 0.00 0.00 57.72 54.62 1nir n HIS 369 Cb 0.39 -0.37 0.31 0.00 -0.12 0.00 0.00 29.99 30.20 1nir n HIS 369 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1nir h PRO 370 N 3.86 0.49 0.00 1.57 0.13 -1.80 -3.40 132.00 132.84 1nir h PRO 370 Ca 0.08 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1nir h PRO 370 Cb 0.89 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nir h PRO 370 CO 0.48 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 1nir n GLY 371 N -0.88 1.67 0.00 1.56 0.00 -1.26 -2.19 105.19 104.09 1nir n GLY 371 Ca 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1nir n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nir n ARG 372 N 2.88 1.00 0.00 1.61 1.74 -1.26 -0.36 116.66 122.28 1nir n ARG 372 Ca 0.00 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1nir n ARG 372 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1nir n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nir n GLY 373 N 1.43 -2.91 2.68 -0.13 0.00 -0.93 -3.16 105.19 102.18 1nir n GLY 373 Ca 0.01 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1nir n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir s ALA 374 N -1.18 0.33 -0.06 4.61 0.00 -1.10 -4.76 121.76 119.60 1nir s ALA 374 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 1nir s ALA 374 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1nir s ALA 374 CO 0.00 -0.58 0.01 -0.80 0.00 0.00 0.00 175.76 174.38 1nir s ASN 375 N 2.13 5.23 -0.01 0.00 0.01 -1.25 -0.24 114.94 120.82 1nir s ASN 375 Ca 0.05 0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 52.01 1nir s ASN 375 Cb -0.13 -1.45 0.10 0.00 0.41 0.00 0.00 41.25 40.19 1nir s ASN 375 CO -0.04 0.35 0.98 0.72 -1.51 0.00 0.00 177.10 177.59 1nir s PHE 376 N -0.95 -0.25 -0.39 2.20 -0.71 -0.96 -4.77 117.98 112.14 1nir s PHE 376 Ca 0.15 0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 55.96 1nir s PHE 376 Cb -0.11 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 1nir s PHE 376 CO 0.05 -0.53 0.54 0.08 -1.34 0.00 0.00 175.22 174.03 1nir s VAL 377 N -3.00 4.97 0.35 -2.49 1.01 -1.26 -0.88 120.40 119.10 1nir s VAL 377 Ca 0.08 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1nir s VAL 377 Cb -0.01 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1nir s VAL 377 CO -0.06 -0.38 1.07 -2.28 0.00 0.00 0.00 175.10 173.45 1nir s HIS 378 N 2.48 3.39 0.07 5.22 2.46 0.51 -4.91 115.29 124.52 1nir s HIS 378 Ca 0.19 1.67 -0.33 0.00 0.47 0.00 0.00 55.06 57.05 1nir s HIS 378 Cb -0.15 -3.20 -0.18 0.00 -0.13 0.00 0.00 32.58 28.92 1nir s HIS 378 CO 0.15 -0.61 1.61 -1.35 -2.47 0.00 0.00 174.74 172.08 1nir h PRO 379 N 3.04 -0.90 0.04 2.88 0.10 -1.92 -1.57 132.00 133.67 1nir h PRO 379 Ca -0.48 0.06 -0.14 0.00 0.10 0.00 0.00 66.00 65.55 1nir h PRO 379 Cb 1.21 0.20 0.01 0.00 0.10 0.00 0.00 31.00 32.53 1nir h PRO 379 CO 0.64 -0.60 -0.55 -0.22 0.10 0.00 0.00 178.00 177.37 1nir h LYS 380 N -0.93 0.30 -0.01 1.05 3.64 -2.02 -3.39 116.57 115.21 1nir h LYS 380 Ca -0.08 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1nir h LYS 380 Cb 0.74 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1nir h LYS 380 CO 0.11 1.10 -0.43 0.66 -2.27 0.00 0.00 179.45 178.62 1nir n TYR 381 N -4.27 0.00 -3.73 1.91 4.01 -1.25 -5.08 117.16 108.75 1nir n TYR 381 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1nir n TYR 381 Cb 0.67 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1nir n TYR 381 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nir n GLY 382 N 1.40 -1.36 3.68 2.72 0.00 -0.59 -4.87 105.19 106.17 1nir n GLY 382 Ca 0.10 -1.33 -0.46 0.00 0.00 0.00 0.00 46.02 44.33 1nir n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nir n PRO 383 N 0.00 2.26 -4.27 1.61 -0.02 -1.26 -0.36 135.00 132.96 1nir n PRO 383 Ca 0.00 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1nir n PRO 383 Cb 0.00 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 30.75 1nir n PRO 383 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nir s VAL 384 N 2.14 0.70 0.00 -1.45 -7.23 -0.06 -1.84 120.40 112.67 1nir s VAL 384 Ca 0.83 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.06 1nir s VAL 384 Cb -0.65 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1nir s VAL 384 CO 0.42 -0.36 -0.14 0.86 -0.31 0.00 0.00 175.10 175.57 1nir s TRP 385 N -3.65 1.27 0.13 2.82 -0.00 -0.01 -2.27 118.94 117.23 1nir s TRP 385 Ca 0.27 -0.27 0.05 0.00 -0.00 0.00 0.00 56.10 56.15 1nir s TRP 385 Cb 0.06 -0.80 -0.04 0.00 -0.00 0.00 0.00 33.47 32.69 1nir s TRP 385 CO 0.07 -0.00 -0.11 -1.54 -0.00 0.00 0.00 176.95 175.36 1nir s SER 386 N -0.56 1.78 -0.02 5.86 1.04 0.66 -0.84 113.70 121.62 1nir s SER 386 Ca 0.05 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 1nir s SER 386 Cb -0.06 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1nir s SER 386 CO -0.00 -0.25 0.24 0.28 0.98 0.00 0.00 173.24 174.49 1nir s THR 387 N -2.71 0.06 0.55 2.02 -1.32 -0.75 -2.73 115.64 110.77 1nir s THR 387 Ca 0.11 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.21 1nir s THR 387 Cb -0.01 -0.51 0.07 0.00 -1.51 0.00 0.00 72.50 70.53 1nir s THR 387 CO 0.01 -0.26 0.70 -0.94 -2.21 0.00 0.00 174.62 171.93 1nir s SER 388 N -1.10 5.07 0.10 8.08 1.04 -1.26 -1.27 113.70 124.36 1nir s SER 388 Ca -0.12 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.49 1nir s SER 388 Cb -0.05 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1nir s SER 388 CO 0.03 -1.24 -0.13 -1.00 0.98 0.00 0.00 173.24 171.88 1nir s HIS 389 N -2.65 1.24 0.01 5.02 3.76 -1.21 -2.02 115.29 119.43 1nir s HIS 389 Ca 0.57 -0.56 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 1nir s HIS 389 Cb -0.05 -0.67 -0.24 0.00 1.11 0.00 0.00 32.58 32.73 1nir s HIS 389 CO 0.35 0.07 0.85 -0.07 -0.85 0.00 0.00 174.74 175.10 1nir h LEU 390 N 3.76 0.10 0.00 0.89 3.38 -1.43 -2.22 115.31 119.79 1nir h LEU 390 Ca -0.39 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1nir h LEU 390 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nir h LEU 390 CO 0.48 1.13 -0.33 0.61 0.09 0.00 0.00 178.44 180.43 1nir n GLY 391 N 1.55 -1.48 3.80 0.83 0.00 0.08 -1.19 105.19 108.78 1nir n GLY 391 Ca -0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1nir n GLY 391 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1nir s ASP 392 N -3.90 0.02 -0.31 1.61 1.47 -1.25 -4.81 116.67 109.50 1nir s ASP 392 Ca 0.10 -1.15 0.10 0.00 1.18 0.00 0.00 52.55 52.77 1nir s ASP 392 Cb 0.15 0.85 0.63 0.00 -0.34 0.00 0.00 42.92 44.21 1nir s ASP 392 CO 0.65 -1.69 1.67 0.61 0.68 0.00 0.00 175.17 177.08 1nir n GLY 393 N -0.53 4.21 3.91 2.12 0.00 -1.26 -4.00 105.19 109.64 1nir n GLY 393 Ca -0.08 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1nir n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nir s SER 394 N -1.66 6.35 -0.15 1.61 1.04 -1.26 0.10 113.70 119.72 1nir s SER 394 Ca 0.50 0.79 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 1nir s SER 394 Cb 0.42 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 64.40 1nir s SER 394 CO 0.09 -0.40 -0.05 -0.63 0.98 0.00 0.00 173.24 173.22 1nir s ILE 395 N -2.44 1.06 -0.03 -1.02 1.09 0.48 -3.31 121.20 117.03 1nir s ILE 395 Ca 0.45 -0.55 -0.20 0.00 -1.10 0.00 0.00 60.65 59.25 1nir s ILE 395 Cb -0.10 -1.21 -0.05 0.00 -1.06 0.00 0.00 42.46 40.03 1nir s ILE 395 CO 0.38 0.17 0.58 -0.44 -0.10 0.00 0.00 174.94 175.53 1nir s SER 396 N 1.66 6.93 -0.24 3.58 0.01 -0.40 -1.14 113.70 124.10 1nir s SER 396 Ca 0.02 1.11 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 1nir s SER 396 Cb -0.15 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1nir s SER 396 CO -0.08 0.07 -0.05 -0.76 0.41 0.00 0.00 173.24 172.83 1nir s LEU 397 N 0.01 3.12 -0.09 2.44 1.43 -0.23 -1.81 118.68 123.54 1nir s LEU 397 Ca 0.31 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1nir s LEU 397 Cb -0.18 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1nir s LEU 397 CO 0.16 -0.10 -0.19 -0.63 0.23 0.00 0.00 176.35 175.82 1nir s ILE 398 N 1.38 2.54 0.18 -0.59 1.01 -0.02 -1.10 121.20 124.59 1nir s ILE 398 Ca 0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1nir s ILE 398 Cb -0.16 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.23 1nir s ILE 398 CO -0.04 0.55 1.30 -0.83 0.00 0.00 0.00 174.94 175.92 1nir s GLY 399 N 0.09 2.42 -0.19 6.18 0.00 -1.07 -0.83 107.32 113.92 1nir s GLY 399 Ca -0.09 1.07 0.18 0.00 0.00 0.00 0.00 44.72 45.88 1nir s GLY 399 CO 0.06 2.08 1.17 -1.30 0.00 0.00 0.00 173.10 175.10 1nir n THR 400 N 2.89 1.41 -3.59 0.90 -2.24 -0.76 -0.16 114.28 112.72 1nir n THR 400 Ca 0.07 -2.77 -0.27 0.00 -2.27 0.00 0.00 64.05 58.80 1nir n THR 400 Cb 0.43 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1nir n THR 400 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nir n ASP 401 N -0.44 2.03 -0.35 3.42 -0.08 -1.26 -4.95 116.55 114.92 1nir n ASP 401 Ca 0.18 -3.01 -0.03 0.00 -1.51 0.00 0.00 54.79 50.42 1nir n ASP 401 Cb 0.91 -0.68 0.09 0.00 2.34 0.00 0.00 41.12 43.79 1nir n ASP 401 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1nir h PRO 402 N 5.00 1.26 0.92 -0.67 0.14 -1.92 0.68 132.00 137.42 1nir h PRO 402 Ca 0.18 -0.12 -0.04 0.00 0.14 0.00 0.00 66.00 66.16 1nir h PRO 402 Cb 0.78 -0.26 0.01 0.00 0.14 0.00 0.00 31.00 31.67 1nir h PRO 402 CO 0.63 0.89 -0.47 0.87 0.14 0.00 0.00 178.00 180.06 1nir h LYS 403 N 1.28 -1.23 -0.18 0.86 6.56 -1.99 -3.18 116.57 118.70 1nir h LYS 403 Ca 0.33 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 1nir h LYS 403 Cb -0.05 0.28 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1nir h LYS 403 CO -0.06 -0.82 0.00 0.09 -2.06 0.00 0.00 179.45 176.60 1nir n ASN 404 N -5.64 2.80 -2.86 0.86 3.02 -1.24 -4.61 115.26 107.59 1nir n ASN 404 Ca -0.16 -1.83 -0.12 0.00 -0.03 0.00 0.00 54.58 52.45 1nir n ASN 404 Cb 0.51 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.60 1nir n ASN 404 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nir n HIS 405 N 1.05 -0.11 0.30 3.10 8.25 0.23 -4.96 115.22 123.09 1nir n HIS 405 Ca 0.13 -2.96 0.18 0.00 -0.26 0.00 0.00 57.72 54.81 1nir n HIS 405 Cb 0.48 0.09 1.02 0.00 1.12 0.00 0.00 29.99 32.69 1nir n HIS 405 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1nir h PRO 406 N 2.87 0.00 0.00 -0.41 0.11 -1.59 -1.98 132.00 130.99 1nir h PRO 406 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1nir h PRO 406 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nir h PRO 406 CO 0.38 0.00 -0.19 1.96 -0.21 0.00 0.00 178.00 179.95 1nir h GLN 407 N 0.00 0.00 0.00 1.05 7.50 -1.90 -3.29 115.11 118.47 1nir h GLN 407 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1nir h GLN 407 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1nir h GLN 407 CO -0.00 0.19 -0.17 0.66 -1.50 0.00 0.00 178.83 178.01 1nir n TYR 408 N -3.37 0.00 -1.68 2.96 4.01 -0.81 -4.98 117.16 113.28 1nir n TYR 408 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 1nir n TYR 408 Cb 0.40 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 1nir n TYR 408 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nir n ALA 409 N -1.08 1.60 -2.66 -0.72 0.00 -0.81 -2.28 120.51 114.56 1nir n ALA 409 Ca 0.01 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1nir n ALA 409 Cb 0.05 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.05 1nir n ALA 409 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1nir n TRP 410 N 4.71 -1.38 -5.12 0.00 5.03 0.78 -4.93 117.44 116.52 1nir n TRP 410 Ca 0.18 0.23 -0.29 0.00 3.03 0.00 0.00 57.50 60.65 1nir n TRP 410 Cb 0.32 -4.11 -0.16 0.00 -1.03 0.00 0.00 31.31 26.32 1nir n TRP 410 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1nir s LYS 411 N -5.30 1.85 -1.24 -0.99 1.02 -0.96 -4.75 119.74 109.37 1nir s LYS 411 Ca 0.13 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.08 1nir s LYS 411 Cb -0.06 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1nir s LYS 411 CO 0.16 0.49 1.85 1.17 -0.92 0.00 0.00 175.35 178.11 1nir n LYS 412 N 2.46 2.31 -0.11 1.68 4.81 -1.26 -2.59 118.16 125.45 1nir n LYS 412 Ca -0.16 -2.82 0.12 0.00 -0.87 0.00 0.00 58.31 54.59 1nir n LYS 412 Cb 0.52 -3.62 0.49 0.00 0.02 0.00 0.00 35.03 32.44 1nir n LYS 412 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1nir h VAL 413 N 5.85 0.88 -1.77 3.15 3.04 -1.43 -3.46 116.25 122.51 1nir h VAL 413 Ca 0.33 -0.15 0.27 0.00 -1.01 0.00 0.00 66.70 66.14 1nir h VAL 413 Cb 0.90 0.40 -0.11 0.00 -2.01 0.00 0.00 31.29 30.48 1nir h VAL 413 CO 1.34 0.08 0.71 0.00 -1.01 0.00 0.00 177.57 178.69 1nir s ALA 414 N -5.42 -2.03 0.23 3.17 0.00 -1.18 -5.04 121.76 111.49 1nir s ALA 414 Ca -0.08 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1nir s ALA 414 Cb 0.20 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1nir s ALA 414 CO 0.76 -1.05 -0.04 -1.21 0.00 0.00 0.00 175.76 174.22 1nir s GLU 415 N -2.72 1.35 0.11 0.00 2.02 -1.26 -1.07 118.70 117.13 1nir s GLU 415 Ca 0.14 -1.67 0.02 0.00 0.02 0.00 0.00 54.97 53.48 1nir s GLU 415 Cb 0.03 -0.78 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 1nir s GLU 415 CO -0.02 -0.03 -0.07 -0.51 0.02 0.00 0.00 175.26 174.65 1nir s LEU 416 N -3.32 2.52 -0.13 1.80 1.43 -0.29 -4.95 118.68 115.73 1nir s LEU 416 Ca 0.27 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1nir s LEU 416 Cb 0.04 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.14 1nir s LEU 416 CO 0.08 -0.43 -0.12 -1.10 0.23 0.00 0.00 176.35 175.01 1nir s GLN 417 N -3.81 2.06 0.00 1.70 -1.52 -1.26 -0.39 119.66 116.43 1nir s GLN 417 Ca 0.13 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 1nir s GLN 417 Cb 0.05 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1nir s GLN 417 CO -0.03 -0.22 0.00 0.41 -0.25 0.00 0.00 175.29 175.19 1nir n GLY 418 N 4.75 0.94 0.26 3.09 0.00 0.11 -4.79 105.19 109.55 1nir n GLY 418 Ca -0.16 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.04 1nir n GLY 418 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nir h GLN 419 N 0.00 0.00 0.00 1.61 4.20 -1.93 -3.47 115.11 115.51 1nir h GLN 419 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nir h GLN 419 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1nir h GLN 419 CO 0.00 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 1nir n GLY 420 N -0.79 -0.91 1.41 3.46 0.00 -1.26 -5.02 105.19 102.08 1nir n GLY 420 Ca -0.02 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 1nir n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nir n GLY 421 N 0.00 -2.17 2.08 -0.02 0.00 -1.26 -4.00 105.19 99.82 1nir n GLY 421 Ca 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 1nir n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nir n GLY 422 N 0.25 0.49 3.79 -0.02 0.00 -0.33 -4.11 105.19 105.25 1nir n GLY 422 Ca 0.06 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1nir n GLY 422 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nir s SER 423 N -2.43 6.94 0.00 1.61 0.15 -0.83 -1.55 113.70 117.59 1nir s SER 423 Ca 0.00 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1nir s SER 423 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1nir s SER 423 CO 0.00 -0.36 0.00 0.18 1.20 0.00 0.00 173.24 174.26 1nir n LEU 424 N 0.03 1.44 -3.94 3.45 4.32 -1.26 -3.61 117.00 117.43 1nir n LEU 424 Ca 0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.85 1nir n LEU 424 Cb 0.50 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.15 1nir n LEU 424 CO 0.44 0.22 -0.41 -0.36 -1.22 0.00 0.00 177.39 176.05 1nir s PHE 425 N -1.96 0.70 0.09 -1.77 0.08 -1.26 -4.36 117.98 109.50 1nir s PHE 425 Ca 0.00 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.95 1nir s PHE 425 Cb 0.00 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1nir s PHE 425 CO 0.00 -0.10 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.44 1nir s ILE 426 N 0.38 3.51 -0.03 0.64 2.07 -1.26 -2.25 121.20 124.27 1nir s ILE 426 Ca -0.05 -1.18 -0.26 0.00 -1.41 0.00 0.00 60.65 57.75 1nir s ILE 426 Cb -0.09 -2.64 0.06 0.00 0.13 0.00 0.00 42.46 39.92 1nir s ILE 426 CO 0.00 0.14 0.57 -0.75 -1.91 0.00 0.00 174.94 172.99 1nir s LYS 427 N -2.16 0.96 0.31 3.50 2.47 0.57 -4.50 119.74 120.89 1nir s LYS 427 Ca 0.22 0.10 -0.13 0.00 -1.56 0.00 0.00 55.97 54.59 1nir s LYS 427 Cb -0.11 0.45 0.05 0.00 -1.46 0.00 0.00 37.83 36.76 1nir s LYS 427 CO 0.14 -0.30 0.70 -2.37 0.16 0.00 0.00 175.35 173.68 1nir n THR 428 N 0.95 0.00 -3.79 3.43 5.66 -1.26 -0.80 114.28 118.47 1nir n THR 428 Ca -0.20 -0.78 -0.12 0.00 -3.05 0.00 0.00 64.05 59.90 1nir n THR 428 Cb 0.57 0.81 -0.08 0.00 -1.55 0.00 0.00 70.33 70.07 1nir n THR 428 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1nir s HIS 429 N -3.17 -0.10 0.41 1.09 2.46 -1.26 -4.69 115.29 110.04 1nir s HIS 429 Ca 0.14 0.07 0.13 0.00 0.47 0.00 0.00 55.06 55.87 1nir s HIS 429 Cb -0.04 0.06 0.98 0.00 -0.13 0.00 0.00 32.58 33.45 1nir s HIS 429 CO 0.09 -0.40 1.92 -1.35 -2.47 0.00 0.00 174.74 172.53 1nir h PRO 430 N 3.73 0.48 -0.18 2.88 0.11 -1.93 -1.73 132.00 135.35 1nir h PRO 430 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1nir h PRO 430 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nir h PRO 430 CO 0.43 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 1nir n LYS 431 N -4.49 1.84 -4.21 1.05 5.02 -1.26 -4.93 118.16 111.18 1nir n LYS 431 Ca 0.14 -1.27 -0.27 0.00 -2.02 0.00 0.00 58.31 54.89 1nir n LYS 431 Cb 0.47 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1nir n LYS 431 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nir s SER 432 N -1.59 4.74 -0.18 4.39 0.15 -0.65 -5.02 113.70 115.54 1nir s SER 432 Ca 0.33 -0.40 0.16 0.00 0.70 0.00 0.00 55.95 56.75 1nir s SER 432 Cb 0.18 -1.00 0.44 0.00 -1.71 0.00 0.00 66.02 63.94 1nir s SER 432 CO 0.27 0.10 1.33 -1.54 1.20 0.00 0.00 173.24 174.60 1nir n SER 433 N -0.06 3.14 -4.35 5.45 3.41 -1.26 -4.67 113.62 115.29 1nir n SER 433 Ca -0.10 -3.16 -0.28 0.00 -0.26 0.00 0.00 58.87 55.07 1nir n SER 433 Cb 0.55 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1nir n SER 433 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nir s HIS 434 N -2.91 2.19 -0.20 7.33 3.76 -1.26 -1.00 115.29 123.20 1nir s HIS 434 Ca 0.39 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1nir s HIS 434 Cb 0.33 -1.23 0.05 0.00 1.11 0.00 0.00 32.58 32.84 1nir s HIS 434 CO 0.05 0.25 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.96 1nir s LEU 435 N -1.77 2.06 -0.09 0.89 2.96 -0.79 -4.50 118.68 117.44 1nir s LEU 435 Ca 0.12 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 1nir s LEU 435 Cb -0.10 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1nir s LEU 435 CO 0.04 -0.19 0.21 -0.31 -1.32 0.00 0.00 176.35 174.78 1nir s TYR 436 N 1.50 3.63 -0.04 5.38 1.51 0.02 -0.55 117.35 128.80 1nir s TYR 436 Ca -0.02 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 1nir s TYR 436 Cb -0.17 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1nir s TYR 436 CO -0.07 0.72 0.02 0.08 -1.11 0.00 0.00 175.55 175.19 1nir s VAL 437 N -1.05 0.09 0.59 0.71 1.01 -0.52 -0.31 120.40 120.92 1nir s VAL 437 Ca 0.17 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1nir s VAL 437 Cb -0.13 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.11 1nir s VAL 437 CO 0.06 0.17 0.81 -0.90 0.00 0.00 0.00 175.10 175.25 1nir n ASP 438 N 4.74 0.94 -2.71 3.32 5.68 -0.95 -1.15 116.55 126.42 1nir n ASP 438 Ca -0.15 -1.83 -0.04 0.00 -0.50 0.00 0.00 54.79 52.28 1nir n ASP 438 Cb 0.50 -0.54 0.10 0.00 -1.14 0.00 0.00 41.12 40.04 1nir n ASP 438 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1nir n THR 439 N -2.65 0.38 -0.33 2.12 -2.24 -1.26 -4.27 114.28 106.03 1nir n THR 439 Ca 0.13 -1.76 0.10 0.00 -2.27 0.00 0.00 64.05 60.24 1nir n THR 439 Cb 0.46 1.02 0.21 0.00 -2.10 0.00 0.00 70.33 69.92 1nir n THR 439 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1nir h THR 440 N 3.69 0.06 -0.67 4.28 2.02 -1.62 -1.53 112.91 119.14 1nir h THR 440 Ca -0.30 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1nir h THR 440 Cb 1.28 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1nir h THR 440 CO -0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1nir n PHE 441 N -5.52 1.48 -2.05 3.16 3.72 -0.60 -4.82 117.46 112.83 1nir n PHE 441 Ca 0.19 -0.60 -0.41 0.00 -0.05 0.00 0.00 57.45 56.58 1nir n PHE 441 Cb 0.62 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1nir n PHE 441 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1nir s ASN 442 N -0.91 6.69 0.14 4.37 3.84 -0.58 -4.68 114.94 123.82 1nir s ASN 442 Ca 0.52 2.67 0.16 0.00 0.21 0.00 0.00 52.86 56.42 1nir s ASN 442 Cb 0.33 -2.63 0.72 0.00 -0.55 0.00 0.00 41.25 39.12 1nir s ASN 442 CO 0.26 -0.64 1.49 -0.81 -2.79 0.00 0.00 177.10 174.61 1nir n PRO 443 N 1.76 0.09 -3.30 0.43 -0.04 -1.26 -4.55 135.00 128.13 1nir n PRO 443 Ca 0.04 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.53 1nir n PRO 443 Cb 0.41 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 1nir n PRO 443 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1nir s ASP 444 N -3.58 6.55 0.14 3.54 2.15 -1.26 -4.99 116.67 119.21 1nir s ASP 444 Ca 0.03 0.66 -0.24 0.00 0.43 0.00 0.00 52.55 53.42 1nir s ASP 444 Cb 0.07 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.41 1nir s ASP 444 CO 0.25 -0.12 1.62 0.00 -0.17 0.00 0.00 175.17 176.75 1nir h ALA 445 N 7.31 -0.27 -0.82 3.66 0.00 -1.96 -0.34 119.26 126.83 1nir h ALA 445 Ca -0.36 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1nir h ALA 445 Cb 1.16 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 1nir h ALA 445 CO 0.74 -0.74 0.49 -0.09 0.00 0.00 0.00 179.25 179.65 1nir h ARG 446 N -0.34 0.87 -0.23 0.00 2.43 -1.96 -0.09 114.38 115.07 1nir h ARG 446 Ca 0.10 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1nir h ARG 446 Cb 0.50 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1nir h ARG 446 CO -0.34 0.57 -0.47 0.82 -1.51 0.00 0.00 179.97 179.05 1nir h ILE 447 N 0.90 1.31 0.00 1.20 2.04 -1.84 -2.97 117.51 118.14 1nir h ILE 447 Ca 0.36 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1nir h ILE 447 Cb 0.19 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1nir h ILE 447 CO -0.18 0.53 0.00 0.77 0.00 0.00 0.00 178.15 179.27 1nir h SER 448 N 0.44 0.00 -0.72 1.72 4.64 -0.66 -2.57 113.55 116.40 1nir h SER 448 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nir h SER 448 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1nir h SER 448 CO 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1nir n GLN 449 N -2.86 2.97 -4.16 4.77 6.02 -0.08 -1.75 117.38 122.29 1nir n GLN 449 Ca 0.01 -2.72 -0.12 0.00 -0.01 0.00 0.00 57.00 54.15 1nir n GLN 449 Cb 0.26 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 1nir n GLN 449 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nir s SER 450 N -0.97 0.24 0.04 1.08 1.04 -0.97 -1.98 113.70 112.17 1nir s SER 450 Ca 0.50 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.65 1nir s SER 450 Cb 0.28 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 1nir s SER 450 CO 0.32 -0.94 -0.12 0.68 0.98 0.00 0.00 173.24 174.16 1nir s VAL 451 N -4.04 0.97 0.11 5.02 -7.23 -0.95 -4.19 120.40 110.09 1nir s VAL 451 Ca 0.35 -0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 1nir s VAL 451 Cb 0.05 -0.90 -0.06 0.00 0.56 0.00 0.00 36.38 36.02 1nir s VAL 451 CO 0.13 -0.08 0.47 0.00 -0.31 0.00 0.00 175.10 175.31 1nir s ALA 452 N -0.93 3.65 -0.08 1.32 0.00 -0.30 -0.99 121.76 124.43 1nir s ALA 452 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1nir s ALA 452 Cb -0.08 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1nir s ALA 452 CO 0.01 0.51 -0.06 0.08 0.00 0.00 0.00 175.76 176.30 1nir s VAL 453 N -1.44 0.80 0.22 0.00 1.01 -0.26 -1.44 120.40 119.30 1nir s VAL 453 Ca 0.35 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1nir s VAL 453 Cb -0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1nir s VAL 453 CO 0.19 0.31 0.29 -0.36 0.00 0.00 0.00 175.10 175.53 1nir s PHE 454 N 1.42 3.35 -0.34 5.22 0.40 0.28 -0.70 117.98 127.61 1nir s PHE 454 Ca -0.02 -0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1nir s PHE 454 Cb -0.13 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1nir s PHE 454 CO -0.04 0.48 0.18 0.34 0.70 0.00 0.00 175.22 176.88 1nir s ASP 455 N -3.77 5.62 0.54 1.36 2.15 -1.26 -1.88 116.67 119.43 1nir s ASP 455 Ca 0.34 -0.78 0.29 0.00 0.43 0.00 0.00 52.55 52.82 1nir s ASP 455 Cb -0.09 -2.01 1.55 0.00 -0.30 0.00 0.00 42.92 42.07 1nir s ASP 455 CO 0.28 -0.29 2.11 -0.07 -0.17 0.00 0.00 175.17 177.02 1nir h LEU 456 N 8.39 0.00 -0.18 -1.34 3.38 -1.42 -1.35 115.31 122.79 1nir h LEU 456 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1nir h LEU 456 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nir h LEU 456 CO 0.64 0.09 -0.18 0.29 0.09 0.00 0.00 178.44 179.37 1nir n LYS 457 N -3.63 0.46 -2.92 1.13 5.02 -1.26 -4.30 118.16 112.67 1nir n LYS 457 Ca -0.02 -0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 55.95 1nir n LYS 457 Cb 0.21 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1nir n LYS 457 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nir n ASN 458 N -1.11 -1.60 0.07 4.39 5.15 -0.55 -5.00 115.26 116.61 1nir n ASN 458 Ca 0.11 -3.15 0.06 0.00 -0.60 0.00 0.00 54.58 51.01 1nir n ASN 458 Cb 0.31 0.90 0.31 0.00 -0.53 0.00 0.00 39.78 40.77 1nir n ASN 458 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1nir n LEU 459 N 1.30 0.28 0.17 1.20 4.77 -0.94 -2.01 117.00 121.78 1nir n LEU 459 Ca 0.14 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.79 1nir n LEU 459 Cb 0.61 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1nir n LEU 459 CO 0.10 -0.63 0.60 0.44 -1.33 0.00 0.00 177.39 176.56 1nir h ASP 460 N 0.00 0.00 -3.98 -1.43 3.32 -1.94 -3.46 116.42 108.93 1nir h ASP 460 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1nir h ASP 460 Cb 0.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1nir h ASP 460 CO 0.00 0.32 0.39 0.00 -1.72 0.00 0.00 179.24 178.23 1nir s ALA 461 N -3.05 3.07 0.53 3.45 0.00 -0.85 -5.03 121.76 119.88 1nir s ALA 461 Ca 0.05 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 1nir s ALA 461 Cb 0.07 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1nir s ALA 461 CO 0.72 -0.12 1.12 0.21 0.00 0.00 0.00 175.76 177.69 1nir s LYS 462 N -2.62 3.46 0.97 0.00 2.20 -1.26 -4.81 119.74 117.68 1nir s LYS 462 Ca 0.58 1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 57.68 1nir s LYS 462 Cb -0.19 -2.05 0.18 0.00 -1.51 0.00 0.00 37.83 34.26 1nir s LYS 462 CO 0.24 -0.76 1.11 1.52 -0.36 0.00 0.00 175.35 177.10 1nir s TYR 463 N -1.78 1.62 -0.15 4.03 -0.85 -1.26 -4.91 117.35 114.05 1nir s TYR 463 Ca 0.71 1.60 -0.04 0.00 -0.52 0.00 0.00 57.07 58.83 1nir s TYR 463 Cb -0.23 -3.25 -0.03 0.00 0.38 0.00 0.00 41.96 38.82 1nir s TYR 463 CO 0.27 -3.03 -0.03 -0.65 -1.52 0.00 0.00 175.55 170.58 1nir s GLN 464 N -4.62 3.60 -0.26 -3.49 -0.21 0.12 -4.84 119.66 109.96 1nir s GLN 464 Ca 0.67 -0.50 -0.22 0.00 0.02 0.00 0.00 55.36 55.32 1nir s GLN 464 Cb -0.23 -2.90 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1nir s GLN 464 CO 0.60 0.30 0.71 0.08 -2.12 0.00 0.00 175.29 174.85 1nir s VAL 465 N 0.22 4.92 -0.28 1.09 1.01 -1.26 -1.10 120.40 125.00 1nir s VAL 465 Ca -0.02 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 1nir s VAL 465 Cb -0.14 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1nir s VAL 465 CO 0.03 -0.04 0.27 -0.76 0.00 0.00 0.00 175.10 174.60 1nir s LEU 466 N 2.66 4.04 -1.30 3.92 1.02 -0.16 -4.97 118.68 123.89 1nir s LEU 466 Ca 0.29 0.11 -0.16 0.00 0.02 0.00 0.00 54.13 54.39 1nir s LEU 466 Cb -0.15 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1nir s LEU 466 CO 0.09 -0.11 2.10 -0.81 0.02 0.00 0.00 176.35 177.63 1nir n PRO 467 N 5.18 2.60 0.28 1.29 -0.04 -1.26 -2.23 135.00 140.82 1nir n PRO 467 Ca -0.11 -2.54 -0.17 0.00 -0.04 0.00 0.00 63.50 60.64 1nir n PRO 467 Cb 0.51 -3.26 -0.08 0.00 -0.04 0.00 0.00 33.50 30.63 1nir n PRO 467 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1nir h ILE 468 N 4.36 0.24 -0.75 0.52 1.08 -1.92 -1.46 117.51 119.58 1nir h ILE 468 Ca 0.51 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.97 1nir h ILE 468 Cb 0.68 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1nir h ILE 468 CO 1.83 0.00 0.40 0.00 -0.69 0.00 0.00 178.15 179.69 1nir h ALA 469 N -0.46 1.30 -0.45 1.87 0.00 -1.71 -2.41 119.26 117.41 1nir h ALA 469 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nir h ALA 469 Cb 0.72 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nir h ALA 469 CO -0.00 0.57 0.29 1.49 0.00 0.00 0.00 179.25 181.60 1nir h GLU 470 N 1.05 0.60 0.00 0.00 4.81 -1.75 -1.80 114.58 117.49 1nir h GLU 470 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1nir h GLU 470 Cb 0.03 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1nir h GLU 470 CO -0.04 0.41 -0.00 -1.49 -0.73 0.00 0.00 179.01 177.16 1nir h TRP 471 N 0.61 0.00 0.00 0.92 6.55 -0.79 -1.89 115.95 121.35 1nir h TRP 471 Ca 0.16 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.92 1nir h TRP 471 Cb -0.05 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.24 1nir h TRP 471 CO -0.04 0.00 -0.38 0.00 -1.05 0.00 0.00 178.44 176.97 1nir h ALA 472 N 2.00 1.24 -5.68 1.49 0.00 -0.95 -3.48 119.26 113.89 1nir h ALA 472 Ca -0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 1nir h ALA 472 Cb 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 17.79 17.88 1nir h ALA 472 CO 0.00 0.47 -0.83 -3.47 0.00 0.00 0.00 179.25 175.42 1nir n ASP 473 N -3.89 -6.36 -0.01 0.00 2.03 -0.71 -4.97 116.55 102.65 1nir n ASP 473 Ca -0.01 -0.75 0.08 0.00 0.52 0.00 0.00 54.79 54.62 1nir n ASP 473 Cb 0.44 -4.67 -0.12 0.00 -0.72 0.00 0.00 41.12 36.04 1nir n ASP 473 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nir n LEU 474 N -3.39 0.09 0.00 -2.67 4.77 -1.26 -5.12 117.00 109.42 1nir n LEU 474 Ca -0.07 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1nir n LEU 474 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1nir n LEU 474 CO 0.61 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1nir n GLY 475 N 1.56 1.03 3.88 -0.72 0.00 -1.26 -4.73 105.19 104.95 1nir n GLY 475 Ca -0.02 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1nir n GLY 475 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nir s GLU 476 N 0.00 2.73 0.00 1.61 -1.05 -1.26 -5.01 118.70 115.72 1nir s GLU 476 Ca 0.00 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.26 1nir s GLU 476 Cb 0.00 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 1nir s GLU 476 CO 0.00 -1.12 0.00 0.41 0.95 0.00 0.00 175.26 175.50 1nir n GLY 477 N -2.98 2.76 0.28 -3.83 0.00 -1.26 -4.71 105.19 95.46 1nir n GLY 477 Ca 0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 1nir n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nir h ALA 478 N 0.00 0.97 -6.07 4.61 0.00 -1.95 -3.47 119.26 113.35 1nir h ALA 478 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1nir h ALA 478 Cb 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 17.65 1nir h ALA 478 CO 0.00 0.20 -0.85 1.63 0.00 0.00 0.00 179.25 180.23 1nir n LYS 479 N -4.68 -3.95 -2.41 0.00 5.02 -1.26 -4.83 118.16 106.05 1nir n LYS 479 Ca 0.09 0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1nir n LYS 479 Cb 0.12 -5.02 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 1nir n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nir s ARG 480 N -5.86 4.42 0.20 1.97 0.52 -1.17 -4.51 118.95 114.52 1nir s ARG 480 Ca 0.12 1.77 -0.15 0.00 -0.52 0.00 0.00 55.73 56.96 1nir s ARG 480 Cb -0.03 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 31.99 1nir s ARG 480 CO 0.82 -0.29 0.61 0.08 0.02 0.00 0.00 175.30 176.54 1nir s VAL 481 N 1.23 4.78 -0.02 3.52 1.01 -0.71 -0.37 120.40 129.83 1nir s VAL 481 Ca 0.59 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 1nir s VAL 481 Cb -0.29 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1nir s VAL 481 CO 0.28 0.14 0.68 0.54 0.00 0.00 0.00 175.10 176.74 1nir s VAL 482 N -1.59 0.00 -0.04 2.92 0.11 -0.55 -3.70 120.40 117.54 1nir s VAL 482 Ca 0.42 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.44 1nir s VAL 482 Cb -0.14 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1nir s VAL 482 CO 0.20 0.00 0.06 1.67 -3.33 0.00 0.00 175.10 173.69 1nir n GLN 483 N 0.68 -2.05 -2.45 1.54 7.27 -1.26 -2.79 117.38 118.32 1nir n GLN 483 Ca -0.18 1.74 -0.38 0.00 0.07 0.00 0.00 57.00 58.25 1nir n GLN 483 Cb 0.58 -1.80 -0.03 0.00 2.41 0.00 0.00 30.24 31.40 1nir n GLN 483 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1nir s PRO 484 N -0.15 4.18 -0.18 3.69 0.05 -1.26 -4.60 135.00 136.72 1nir s PRO 484 Ca -0.07 1.66 -0.09 0.00 0.05 0.00 0.00 61.00 62.55 1nir s PRO 484 Cb 0.00 -2.66 0.06 0.00 0.05 0.00 0.00 34.50 31.95 1nir s PRO 484 CO 0.18 -0.16 0.43 -2.00 0.05 0.00 0.00 177.00 175.49 1nir s GLU 485 N -2.30 0.40 0.77 4.56 2.56 0.57 -4.87 118.70 120.39 1nir s GLU 485 Ca 0.56 0.83 -0.12 0.00 0.00 0.00 0.00 54.97 56.25 1nir s GLU 485 Cb -0.26 0.02 0.05 0.00 2.00 0.00 0.00 34.13 35.94 1nir s GLU 485 CO 0.33 -0.17 1.14 0.71 -0.56 0.00 0.00 175.26 176.71 1nir s TYR 486 N 1.53 3.09 0.56 5.30 1.51 -1.26 0.11 117.35 128.20 1nir s TYR 486 Ca -0.09 0.89 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 1nir s TYR 486 Cb -0.09 -3.31 0.10 0.00 -0.11 0.00 0.00 41.96 38.56 1nir s TYR 486 CO -0.13 -1.54 0.78 0.27 -1.11 0.00 0.00 175.55 173.81 1nir n ASN 487 N -3.20 1.55 -0.07 2.29 6.94 -0.95 -4.68 115.26 117.13 1nir n ASN 487 Ca 0.07 -2.19 -0.08 0.00 -0.02 0.00 0.00 54.58 52.36 1nir n ASN 487 Cb 0.59 -0.46 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 1nir n ASN 487 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1nir h LYS 488 N 0.00 -0.28 -0.00 -3.83 3.64 -1.90 -0.97 116.57 113.23 1nir h LYS 488 Ca -0.26 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1nir h LYS 488 Cb 1.08 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1nir h LYS 488 CO 0.33 -0.19 -0.19 2.89 -2.27 0.00 0.00 179.45 180.02 1nir n ARG 489 N -5.41 0.58 -3.72 1.90 1.85 -1.26 -4.94 116.66 105.67 1nir n ARG 489 Ca -0.00 -0.25 -0.22 0.00 -1.00 0.00 0.00 57.85 56.37 1nir n ARG 489 Cb 0.32 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.27 1nir n ARG 489 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nir n GLY 490 N 1.34 -0.37 0.40 2.89 0.00 -0.37 -4.89 105.19 104.20 1nir n GLY 490 Ca 0.12 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.35 1nir n GLY 490 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nir n ASP 491 N -3.02 2.66 -3.63 1.61 5.68 -1.26 -4.63 116.55 113.95 1nir n ASP 491 Ca -0.28 -2.19 -0.11 0.00 -0.50 0.00 0.00 54.79 51.71 1nir n ASP 491 Cb 0.67 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.38 1nir n ASP 491 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1nir s GLU 492 N -1.33 0.71 -0.10 0.11 -1.05 -1.26 -2.27 118.70 113.51 1nir s GLU 492 Ca 0.18 0.92 -0.00 0.00 -0.15 0.00 0.00 54.97 55.91 1nir s GLU 492 Cb 0.11 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1nir s GLU 492 CO 0.09 -0.10 -0.08 0.08 0.95 0.00 0.00 175.26 176.20 1nir s VAL 493 N 0.59 3.60 0.01 1.83 1.01 -0.63 -2.25 120.40 124.56 1nir s VAL 493 Ca -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1nir s VAL 493 Cb -0.05 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1nir s VAL 493 CO -0.05 0.56 0.04 0.26 0.00 0.00 0.00 175.10 175.91 1nir s TRP 494 N -0.30 3.17 0.06 5.22 0.52 0.31 -1.26 118.94 126.65 1nir s TRP 494 Ca 0.04 0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.31 1nir s TRP 494 Cb -0.13 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1nir s TRP 494 CO 0.02 0.51 -0.08 -0.06 0.02 0.00 0.00 176.95 177.37 1nir s PHE 495 N -1.17 0.74 -0.15 -1.98 0.40 -0.08 -0.32 117.98 115.42 1nir s PHE 495 Ca 0.22 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1nir s PHE 495 Cb -0.12 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.95 1nir s PHE 495 CO 0.13 -0.10 -0.05 -1.12 0.70 0.00 0.00 175.22 174.78 1nir s SER 496 N -2.00 4.68 -0.92 1.36 0.01 -1.12 -0.82 113.70 114.89 1nir s SER 496 Ca -0.04 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 1nir s SER 496 Cb -0.06 -1.73 0.23 0.00 0.21 0.00 0.00 66.02 64.68 1nir s SER 496 CO -0.01 0.18 0.85 -0.69 0.41 0.00 0.00 173.24 173.98 1nir s VAL 497 N 0.30 5.23 -1.02 3.43 1.01 0.09 -1.48 120.40 127.96 1nir s VAL 497 Ca -0.05 -3.18 -0.24 0.00 0.00 0.00 0.00 61.98 58.52 1nir s VAL 497 Cb -0.14 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1nir s VAL 497 CO 0.03 -1.08 1.90 0.86 0.00 0.00 0.00 175.10 176.82 1nir s TRP 498 N -0.70 1.95 0.32 5.22 -0.00 0.50 -3.33 118.94 122.90 1nir s TRP 498 Ca 0.24 0.38 0.07 0.00 -0.00 0.00 0.00 56.10 56.79 1nir s TRP 498 Cb -0.11 -4.11 -0.01 0.00 -0.00 0.00 0.00 33.47 29.24 1nir s TRP 498 CO -0.09 -1.58 0.43 1.21 -0.00 0.00 0.00 176.95 176.92 1nir s ASN 499 N 7.15 5.88 0.85 5.86 2.47 -1.26 -3.05 114.94 132.85 1nir s ASN 499 Ca 0.67 -0.22 -0.15 0.00 0.42 0.00 0.00 52.86 53.59 1nir s ASN 499 Cb -0.04 -1.25 -0.02 0.00 -1.45 0.00 0.00 41.25 38.50 1nir s ASN 499 CO 0.04 -0.38 0.34 0.61 -3.72 0.00 0.00 177.10 173.98 1nir n GLY 500 N -1.57 -2.08 0.29 1.21 0.00 -1.26 -4.23 105.19 97.55 1nir n GLY 500 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1nir n GLY 500 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nir h LYS 501 N -0.98 0.38 -0.43 1.61 3.64 -1.98 -1.84 116.57 116.96 1nir h LYS 501 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1nir h LYS 501 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1nir h LYS 501 CO 0.37 0.27 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 1nir n ASN 502 N -4.47 3.52 -1.03 4.20 5.03 -1.26 -4.89 115.26 116.36 1nir n ASN 502 Ca 0.01 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.47 1nir n ASN 502 Cb 0.09 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1nir n ASN 502 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1nir n ASP 503 N 1.49 0.61 -4.32 6.41 8.00 -0.69 -5.12 116.55 122.93 1nir n ASP 503 Ca 0.20 -0.52 -0.33 0.00 0.71 0.00 0.00 54.79 54.85 1nir n ASP 503 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.56 1nir n ASP 503 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1nir s SER 504 N -0.70 3.86 0.51 -2.24 0.15 -1.26 -4.86 113.70 109.15 1nir s SER 504 Ca 0.00 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.29 1nir s SER 504 Cb 0.00 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1nir s SER 504 CO 0.00 0.12 0.23 -0.44 1.20 0.00 0.00 173.24 174.34 1nir s SER 505 N 0.64 4.42 -0.01 5.45 0.01 -1.26 -4.70 113.70 118.24 1nir s SER 505 Ca -0.07 -1.36 -0.30 0.00 1.31 0.00 0.00 55.95 55.53 1nir s SER 505 Cb -0.16 0.31 0.11 0.00 0.21 0.00 0.00 66.02 66.49 1nir s SER 505 CO 0.03 -0.92 1.07 0.00 0.41 0.00 0.00 173.24 173.82 1nir s ALA 506 N -2.78 -1.93 -0.18 1.44 0.00 -1.21 -4.73 121.76 112.37 1nir s ALA 506 Ca 0.25 0.88 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 1nir s ALA 506 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1nir s ALA 506 CO 0.15 -0.83 -0.07 -0.51 0.00 0.00 0.00 175.76 174.50 1nir s LEU 507 N -2.62 2.89 -0.16 0.00 1.43 -0.76 -0.73 118.68 118.72 1nir s LEU 507 Ca 0.10 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1nir s LEU 507 Cb 0.00 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1nir s LEU 507 CO -0.04 0.07 -0.05 -0.69 0.23 0.00 0.00 176.35 175.87 1nir s VAL 508 N 0.93 3.71 -0.15 -1.59 1.01 -0.00 -0.03 120.40 124.28 1nir s VAL 508 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1nir s VAL 508 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1nir s VAL 508 CO 0.00 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.84 1nir s VAL 509 N 0.54 3.71 -0.05 2.92 1.01 -0.10 -0.91 120.40 127.52 1nir s VAL 509 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1nir s VAL 509 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1nir s VAL 509 CO 0.03 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 1nir s VAL 510 N 0.38 2.97 -0.43 2.92 1.01 -0.39 -0.36 120.40 126.50 1nir s VAL 510 Ca -0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1nir s VAL 510 Cb -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1nir s VAL 510 CO 0.03 0.59 1.43 -0.62 0.00 0.00 0.00 175.10 176.53 1nir s ASP 511 N -0.68 6.29 0.52 3.32 -1.08 0.09 -1.60 116.67 123.52 1nir s ASP 511 Ca 0.10 0.77 0.17 0.00 -0.52 0.00 0.00 52.55 53.08 1nir s ASP 511 Cb -0.11 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.09 1nir s ASP 511 CO 0.01 -1.49 2.14 -0.78 0.52 0.00 0.00 175.17 175.57 1nir h ASP 512 N 10.86 0.00 0.38 -0.34 3.58 -1.77 0.31 116.42 129.44 1nir h ASP 512 Ca -0.28 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.01 1nir h ASP 512 Cb 1.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1nir h ASP 512 CO 1.10 0.03 -0.67 0.50 -2.88 0.00 0.00 179.24 177.31 1nir h LYS 513 N 0.00 0.26 0.00 0.28 3.11 -1.91 -3.36 116.57 114.96 1nir h LYS 513 Ca -0.00 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 1nir h LYS 513 Cb 0.05 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1nir h LYS 513 CO 0.00 0.84 -0.64 0.25 -2.81 0.00 0.00 179.45 177.09 1nir n THR 514 N -3.83 0.00 -1.80 1.00 -2.24 -1.02 -5.00 114.28 101.38 1nir n THR 514 Ca -0.03 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1nir n THR 514 Cb 0.66 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1nir n THR 514 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nir n LEU 515 N -1.35 -1.29 -4.66 3.22 4.77 0.11 -5.01 117.00 112.79 1nir n LEU 515 Ca 0.01 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 1nir n LEU 515 Cb 0.15 -2.08 -0.09 0.00 -2.33 0.00 0.00 43.42 39.07 1nir n LEU 515 CO 0.17 -0.45 -0.34 -0.54 -1.33 0.00 0.00 177.39 174.89 1nir s LYS 516 N -3.88 2.60 0.16 3.23 1.02 -1.22 -4.89 119.74 116.76 1nir s LYS 516 Ca 0.00 -0.76 -0.34 0.00 0.02 0.00 0.00 55.97 54.90 1nir s LYS 516 Cb 0.00 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.61 1nir s LYS 516 CO 0.00 0.58 1.57 -0.11 -0.92 0.00 0.00 175.35 176.47 1nir n LEU 517 N 1.02 3.04 -0.03 3.17 7.94 -1.26 -0.73 117.00 130.14 1nir n LEU 517 Ca -0.13 1.08 -0.04 0.00 -1.11 0.00 0.00 56.01 55.82 1nir n LEU 517 Cb 0.52 -1.42 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1nir n LEU 517 CO 0.36 -0.32 -0.73 1.17 -1.11 0.00 0.00 177.39 176.76 1nir n LYS 518 N 3.39 2.18 -3.56 1.96 4.81 0.51 -4.78 118.16 122.67 1nir n LYS 518 Ca 0.17 0.01 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 1nir n LYS 518 Cb 0.28 -1.16 -0.03 0.00 0.02 0.00 0.00 35.03 34.14 1nir n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nir s ALA 519 N -2.16 -1.94 -0.09 3.14 0.00 -0.89 -5.01 121.76 114.81 1nir s ALA 519 Ca -0.05 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1nir s ALA 519 Cb 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1nir s ALA 519 CO 0.24 -0.52 -0.05 0.08 0.00 0.00 0.00 175.76 175.51 1nir s VAL 520 N -2.20 0.79 -0.34 0.00 1.01 -1.26 -0.93 120.40 117.47 1nir s VAL 520 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1nir s VAL 520 Cb -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 1nir s VAL 520 CO -0.05 0.33 0.54 -0.69 0.00 0.00 0.00 175.10 175.23 1nir s VAL 521 N 1.70 4.99 0.02 2.92 1.01 0.96 -4.95 120.40 127.06 1nir s VAL 521 Ca 0.03 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1nir s VAL 521 Cb -0.13 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1nir s VAL 521 CO -0.06 -0.21 -0.16 -0.54 0.00 0.00 0.00 175.10 174.12 1nir s LYS 522 N 2.45 1.18 -0.29 2.72 1.02 -1.26 -1.83 119.74 123.73 1nir s LYS 522 Ca 0.20 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.25 1nir s LYS 522 Cb -0.15 -1.20 0.13 0.00 -0.52 0.00 0.00 37.83 36.09 1nir s LYS 522 CO 0.13 0.31 1.04 0.34 -0.92 0.00 0.00 175.35 176.26 1nir s ASP 523 N -0.83 -0.44 0.66 2.83 -1.08 -1.26 -5.02 116.67 111.52 1nir s ASP 523 Ca 0.05 0.80 0.42 0.00 -0.52 0.00 0.00 52.55 53.30 1nir s ASP 523 Cb -0.07 0.92 2.30 0.00 -1.46 0.00 0.00 42.92 44.61 1nir s ASP 523 CO 0.01 -0.13 2.30 1.55 0.52 0.00 0.00 175.17 179.41 1nir h PRO 524 N 4.65 0.00 0.00 4.34 0.13 -2.00 -0.11 132.00 139.01 1nir h PRO 524 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nir h PRO 524 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nir h PRO 524 CO 0.14 0.00 -0.34 0.54 -0.23 0.00 0.00 178.00 178.11 1nir n ARG 525 N -3.03 0.23 -2.07 0.86 1.74 -1.26 -4.57 116.66 108.56 1nir n ARG 525 Ca -0.03 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1nir n ARG 525 Cb 0.11 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.85 1nir n ARG 525 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1nir n LEU 526 N -2.07 5.62 -4.69 0.55 7.94 -0.06 -4.95 117.00 119.34 1nir n LEU 526 Ca 0.05 -3.90 -0.37 0.00 -1.11 0.00 0.00 56.01 50.67 1nir n LEU 526 Cb 0.42 -1.66 -0.07 0.00 0.53 0.00 0.00 43.42 42.63 1nir n LEU 526 CO 0.33 0.41 0.05 -0.63 -1.11 0.00 0.00 177.39 176.44 1nir s ILE 527 N 4.26 5.24 -1.27 1.96 1.01 -1.26 -4.47 121.20 126.68 1nir s ILE 527 Ca 0.52 0.63 -0.22 0.00 0.00 0.00 0.00 60.65 61.58 1nir s ILE 527 Cb 0.09 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1nir s ILE 527 CO 0.01 0.30 0.58 0.35 0.00 0.00 0.00 174.94 176.18 1nir n THR 528 N 4.10 -3.33 -2.08 2.92 -2.24 -1.26 -3.67 114.28 108.72 1nir n THR 528 Ca -0.10 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 1nir n THR 528 Cb 0.51 -2.68 -0.03 0.00 -2.10 0.00 0.00 70.33 66.03 1nir n THR 528 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1nir s PRO 529 N -6.96 4.27 0.00 -0.78 0.04 -1.25 -2.51 135.00 127.81 1nir s PRO 529 Ca 0.36 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1nir s PRO 529 Cb -0.18 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1nir s PRO 529 CO 0.94 -0.54 0.00 0.25 0.04 0.00 0.00 177.00 177.69 1nir n THR 530 N 4.17 0.00 -2.28 1.26 -2.24 -0.78 -4.04 114.28 110.36 1nir n THR 530 Ca 0.13 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 1nir n THR 530 Cb 0.41 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1nir n THR 530 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nir s GLY 531 N -0.45 2.91 -0.04 3.38 0.00 -1.26 -4.75 107.32 107.12 1nir s GLY 531 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 44.72 45.74 1nir s GLY 531 CO 0.00 1.56 -0.05 0.54 0.00 0.00 0.00 173.10 175.15 1nir s LYS 532 N -2.13 0.79 -0.24 2.90 1.02 -1.26 -0.83 119.74 120.00 1nir s LYS 532 Ca 0.54 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 56.38 1nir s LYS 532 Cb -0.32 -0.79 0.07 0.00 -0.52 0.00 0.00 37.83 36.27 1nir s LYS 532 CO 0.41 -0.03 0.04 -0.06 -0.92 0.00 0.00 175.35 174.79 1nir s PHE 533 N 0.68 1.52 0.20 3.18 0.08 -0.33 -4.93 117.98 118.38 1nir s PHE 533 Ca -0.09 -1.32 -0.31 0.00 0.12 0.00 0.00 56.93 55.33 1nir s PHE 533 Cb -0.12 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.87 1nir s PHE 533 CO 0.00 -0.73 1.53 1.21 -0.10 0.00 0.00 175.22 177.14 1nir s ASN 534 N 1.69 6.59 0.12 1.36 3.84 -1.26 -1.33 114.94 125.95 1nir s ASN 534 Ca 0.01 2.66 -0.25 0.00 0.21 0.00 0.00 52.86 55.49 1nir s ASN 534 Cb -0.17 -2.61 -0.06 0.00 -0.55 0.00 0.00 41.25 37.86 1nir s ASN 534 CO -0.13 -0.80 1.64 0.58 -2.79 0.00 0.00 177.10 175.61 1nir h VAL 535 N 3.83 0.46 0.31 -5.21 2.07 -1.16 -1.40 116.25 115.17 1nir h VAL 535 Ca -0.44 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nir h VAL 535 Cb 1.21 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1nir h VAL 535 CO 0.87 0.00 -0.15 0.22 0.02 0.00 0.00 177.57 178.52 1nir h TYR 536 N -0.37 -0.39 -0.05 1.57 3.20 -1.57 -1.62 116.97 117.73 1nir h TYR 536 Ca 0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1nir h TYR 536 Cb 0.45 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1nir h TYR 536 CO -0.27 -0.18 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.14 1nir h ASN 537 N -0.52 0.06 0.01 -2.11 2.35 -1.83 -1.05 115.58 112.49 1nir h ASN 537 Ca -0.04 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1nir h ASN 537 Cb 0.39 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1nir h ASN 537 CO 0.07 0.10 -0.09 0.74 -1.65 0.00 0.00 177.43 176.60 1nir h THR 538 N 0.07 1.66 -0.70 2.81 2.02 -1.18 0.15 112.91 117.75 1nir h THR 538 Ca 0.02 -2.06 0.02 0.00 0.77 0.00 0.00 66.41 65.16 1nir h THR 538 Cb 0.08 3.04 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 1nir h THR 538 CO 0.00 0.54 0.44 -0.61 0.37 0.00 0.00 175.52 176.27 1nir h GLN 539 N -0.78 0.86 -0.66 6.66 4.15 -1.06 -2.74 115.11 121.54 1nir h GLN 539 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1nir h GLN 539 Cb 0.94 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1nir h GLN 539 CO 0.02 0.57 0.00 0.72 -1.93 0.00 0.00 178.83 178.20 1nir n HIS 540 N -4.65 1.48 -3.91 3.99 8.25 -0.42 -4.97 115.22 114.99 1nir n HIS 540 Ca 0.07 -0.59 -0.40 0.00 -0.26 0.00 0.00 57.72 56.55 1nir n HIS 540 Cb 0.06 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 30.95 1nir n HIS 540 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1nir n ASP 541 N 1.10 -4.65 -4.37 0.41 9.92 -1.02 -4.90 116.55 113.04 1nir n ASP 541 Ca 0.25 -1.17 -0.46 0.00 -0.53 0.00 0.00 54.79 52.89 1nir n ASP 541 Cb 0.88 -2.28 -0.03 0.00 -0.64 0.00 0.00 41.12 39.05 1nir n ASP 541 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nir s VAL 542 N -3.46 5.16 0.00 2.53 1.01 0.01 -5.03 120.40 120.62 1nir s VAL 542 Ca 0.45 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1nir s VAL 542 Cb -0.22 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1nir s VAL 542 CO 0.93 -1.15 0.00 0.00 0.00 0.00 0.00 175.10 174.87