#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nik n GLU 4 N 0.00 1.48 0.00 3.49 1.02 -1.26 -5.00 120.64 120.37 1nik n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nik n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nik n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nik n GLY 5 N 0.00 -1.95 0.00 0.62 0.00 -1.26 -4.79 105.19 97.81 1nik n GLY 5 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1nik n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nik n PRO 6 N 0.00 0.00 -3.76 1.61 -0.02 -1.00 -4.97 135.00 126.87 1nik n PRO 6 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1nik n PRO 6 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 1nik n PRO 6 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nik s GLN 7 N 0.00 0.26 0.44 -0.52 -0.21 -0.60 -5.00 119.66 114.03 1nik s GLN 7 Ca 0.00 0.44 0.06 0.00 0.02 0.00 0.00 55.36 55.88 1nik s GLN 7 Cb 0.00 0.03 0.01 0.00 1.00 0.00 0.00 33.01 34.05 1nik s GLN 7 CO 0.00 -0.09 0.61 0.08 -2.12 0.00 0.00 175.29 173.77 1nik s VAL 8 N 0.65 3.07 -0.48 1.09 1.01 -1.26 -0.61 120.40 123.88 1nik s VAL 8 Ca -0.04 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1nik s VAL 8 Cb -0.06 -3.06 0.22 0.00 0.00 0.00 0.00 36.38 33.49 1nik s VAL 8 CO -0.04 -0.03 0.75 0.29 0.00 0.00 0.00 175.10 176.07 1nik n LYS 9 N -1.95 0.66 -1.62 2.72 5.02 0.95 -4.91 118.16 119.03 1nik n LYS 9 Ca 0.07 -2.15 -0.46 0.00 -2.02 0.00 0.00 58.31 53.75 1nik n LYS 9 Cb 0.59 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 1nik n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1nik n ILE 10 N 2.02 1.31 -0.05 -0.18 5.41 -1.26 -2.39 119.36 124.23 1nik n ILE 10 Ca 0.15 -0.33 -0.07 0.00 1.00 0.00 0.00 62.75 63.50 1nik n ILE 10 Cb 0.59 -1.15 -0.02 0.00 -0.71 0.00 0.00 39.64 38.34 1nik n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1nik n ARG 11 N 1.45 0.38 -3.70 0.38 1.74 0.43 -4.90 116.66 112.43 1nik n ARG 11 Ca 0.11 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 1nik n ARG 11 Cb 0.30 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1nik n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1nik s GLU 12 N -2.64 2.64 -0.29 5.56 2.02 -1.05 -5.00 118.70 119.93 1nik s GLU 12 Ca -0.21 -1.40 -0.24 0.00 0.02 0.00 0.00 54.97 53.14 1nik s GLU 12 Cb 0.03 -2.43 0.17 0.00 0.10 0.00 0.00 34.13 32.00 1nik s GLU 12 CO 0.31 -0.03 1.30 0.00 0.02 0.00 0.00 175.26 176.85 1nik s ALA 13 N -2.38 -2.19 0.01 5.21 0.00 -1.26 -3.49 121.76 117.65 1nik s ALA 13 Ca 0.44 1.78 -0.01 0.00 0.00 0.00 0.00 51.96 54.17 1nik s ALA 13 Cb -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1nik s ALA 13 CO 0.27 -0.16 0.04 -1.13 0.00 0.00 0.00 175.76 174.77 1nik n SER 14 N 1.96 -0.07 0.24 0.00 3.41 -0.92 -4.97 113.62 113.28 1nik n SER 14 Ca -0.12 -1.04 0.07 0.00 -0.26 0.00 0.00 58.87 57.53 1nik n SER 14 Cb 0.57 0.11 0.59 0.00 -0.26 0.00 0.00 64.21 65.22 1nik n SER 14 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nik h LYS 15 N 0.00 0.00 0.00 4.33 1.57 -2.02 -3.35 116.57 117.10 1nik h LYS 15 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1nik h LYS 15 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1nik h LYS 15 CO 0.01 0.11 -1.81 -0.25 -0.57 0.00 0.00 179.45 176.94 1nik n ASP 16 N -4.31 2.82 -4.65 0.86 8.00 -1.26 -3.78 116.55 114.23 1nik n ASP 16 Ca -0.03 -0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.16 1nik n ASP 16 Cb 0.18 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 1nik n ASP 16 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1nik s ASN 17 N -5.29 4.31 -0.48 -2.24 0.01 -1.26 -1.17 114.94 108.83 1nik s ASN 17 Ca -0.18 -0.90 0.06 0.00 -0.71 0.00 0.00 52.86 51.14 1nik s ASN 17 Cb 0.05 -0.61 0.22 0.00 0.41 0.00 0.00 41.25 41.32 1nik s ASN 17 CO 0.34 -0.20 0.73 0.52 -1.51 0.00 0.00 177.10 176.98 1nik n VAL 18 N -0.97 -0.23 -2.06 1.60 0.31 -1.07 -2.15 118.33 113.76 1nik n VAL 18 Ca -0.04 -1.91 -0.42 0.00 -0.01 0.00 0.00 64.34 61.96 1nik n VAL 18 Cb 0.61 0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 34.04 1nik n VAL 18 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nik s ASP 19 N -0.66 6.72 0.05 4.52 -1.08 -1.23 -3.56 116.67 121.43 1nik s ASP 19 Ca 0.32 2.33 -0.19 0.00 -0.52 0.00 0.00 52.55 54.49 1nik s ASP 19 Cb 0.13 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 39.06 1nik s ASP 19 CO -0.16 -0.80 0.43 0.72 0.52 0.00 0.00 175.17 175.88 1nik s PHE 20 N 2.32 -0.30 -0.24 -5.34 -0.12 -0.28 -0.43 117.98 113.59 1nik s PHE 20 Ca 0.69 0.27 -0.11 0.00 -0.05 0.00 0.00 56.93 57.73 1nik s PHE 20 Cb -0.36 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 1nik s PHE 20 CO 0.30 -0.59 0.18 0.42 -0.05 0.00 0.00 175.22 175.48 1nik s ILE 21 N -2.51 5.34 -0.38 -4.49 1.01 -1.00 -2.39 121.20 116.78 1nik s ILE 21 Ca -0.05 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1nik s ILE 21 Cb -0.01 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.99 1nik s ILE 21 CO -0.03 0.33 0.18 -0.22 0.00 0.00 0.00 174.94 175.20 1nik s LEU 22 N 1.17 4.71 0.30 2.97 0.20 -0.71 -0.04 118.68 127.29 1nik s LEU 22 Ca 0.08 -1.23 0.11 0.00 0.69 0.00 0.00 54.13 53.78 1nik s LEU 22 Cb -0.14 -1.95 -0.06 0.00 -0.43 0.00 0.00 46.19 43.62 1nik s LEU 22 CO 0.06 -0.41 -0.16 -0.94 -0.29 0.00 0.00 176.35 174.60 1nik s SER 23 N 1.67 3.61 -1.09 3.68 1.04 0.22 -0.63 113.70 122.21 1nik s SER 23 Ca 0.01 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.31 1nik s SER 23 Cb -0.21 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.56 1nik s SER 23 CO 0.04 -0.06 0.93 -3.20 0.98 0.00 0.00 173.24 171.92 1nik n ASN 24 N -0.68 -4.84 -4.00 7.02 5.15 -1.26 -1.55 115.26 115.09 1nik n ASN 24 Ca -0.05 -0.66 -0.09 0.00 -0.60 0.00 0.00 54.58 53.17 1nik n ASN 24 Cb 0.61 -5.10 -0.08 0.00 -0.53 0.00 0.00 39.78 34.69 1nik n ASN 24 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1nik s VAL 25 N -3.37 0.09 0.19 3.44 -7.23 -1.26 -2.37 120.40 109.88 1nik s VAL 25 Ca 0.28 -1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 1nik s VAL 25 Cb -0.04 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 1nik s VAL 25 CO 0.72 -0.40 0.65 -1.81 -0.31 0.00 0.00 175.10 173.95 1nik s ASP 26 N -2.97 6.96 0.28 4.85 1.11 -1.26 -4.59 116.67 121.05 1nik s ASP 26 Ca 0.17 1.27 0.02 0.00 0.18 0.00 0.00 52.55 54.19 1nik s ASP 26 Cb 0.05 -2.36 0.58 0.00 1.07 0.00 0.00 42.92 42.25 1nik s ASP 26 CO -0.01 0.07 1.81 0.25 1.18 0.00 0.00 175.17 178.46 1nik h LEU 27 N 3.50 0.82 -0.78 1.23 5.85 -2.00 0.24 115.31 124.17 1nik h LEU 27 Ca -0.48 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.46 1nik h LEU 27 Cb 1.19 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 1nik h LEU 27 CO 0.65 0.39 0.29 0.00 -0.34 0.00 0.00 178.44 179.44 1nik h ALA 28 N 1.56 1.11 -0.01 1.25 0.00 -1.95 -0.96 119.26 120.26 1nik h ALA 28 Ca 0.51 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1nik h ALA 28 Cb 0.60 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nik h ALA 28 CO -0.31 -0.26 -0.06 1.98 0.00 0.00 0.00 179.25 180.60 1nik h MET 29 N 0.40 0.07 -0.96 0.00 1.85 -1.02 -0.36 114.93 114.91 1nik h MET 29 Ca 0.44 -0.05 0.30 0.00 -0.61 0.00 0.00 59.70 59.78 1nik h MET 29 Cb 0.73 0.01 -0.16 0.00 0.43 0.00 0.00 31.60 32.61 1nik h MET 29 CO -0.45 0.72 0.36 0.00 -0.40 0.00 0.00 176.91 177.14 1nik h ALA 30 N 0.35 1.63 0.24 0.39 0.00 -0.29 0.23 119.26 121.80 1nik h ALA 30 Ca -0.00 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nik h ALA 30 Cb 0.73 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nik h ALA 30 CO 0.01 -0.60 -0.11 -0.97 0.00 0.00 0.00 179.25 177.57 1nik h ASN 31 N 0.18 -0.27 -1.00 0.00 -1.24 -1.15 -2.10 115.58 110.00 1nik h ASN 31 Ca 0.67 0.01 0.40 0.00 0.71 0.00 0.00 56.30 58.09 1nik h ASN 31 Cb 1.51 0.07 -0.18 0.00 0.73 0.00 0.00 38.32 40.45 1nik h ASN 31 CO -0.70 0.05 0.52 0.28 -1.29 0.00 0.00 177.43 176.29 1nik h SER 32 N -0.81 0.30 0.49 1.15 0.02 -0.20 0.93 113.55 115.42 1nik h SER 32 Ca -0.03 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1nik h SER 32 Cb 0.24 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1nik h SER 32 CO 0.05 -0.41 -0.23 0.25 -1.14 0.00 0.00 176.83 175.35 1nik h LEU 33 N 0.03 -0.56 -0.59 5.07 5.85 -0.61 -2.17 115.31 122.34 1nik h LEU 33 Ca 0.83 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.61 1nik h LEU 33 Cb 2.14 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 43.21 1nik h LEU 33 CO -0.76 -0.27 -0.10 -0.09 -0.34 0.00 0.00 178.44 176.88 1nik h ARG 34 N -0.83 0.04 0.37 1.25 2.43 0.15 -1.10 114.38 116.68 1nik h ARG 34 Ca -0.07 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1nik h ARG 34 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1nik h ARG 34 CO 0.11 0.02 -0.18 0.00 -1.51 0.00 0.00 179.97 178.41 1nik h ARG 35 N 0.04 -0.48 -0.96 0.20 3.08 -0.83 -2.07 114.38 113.35 1nik h ARG 35 Ca 0.29 0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.73 1nik h ARG 35 Cb 0.46 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 30.45 1nik h ARG 35 CO -0.58 -0.32 0.33 0.28 -1.07 0.00 0.00 179.97 178.61 1nik n VAL 36 N -3.37 -0.40 0.16 2.04 0.31 -0.82 0.21 118.33 116.46 1nik n VAL 36 Ca -0.06 2.02 -0.14 0.00 -0.01 0.00 0.00 64.34 66.14 1nik n VAL 36 Cb 0.20 -3.14 -0.08 0.00 -0.91 0.00 0.00 33.84 29.91 1nik n VAL 36 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1nik h MET 37 N 0.00 -0.32 -0.81 5.55 2.86 -1.03 0.88 114.93 122.06 1nik h MET 37 Ca 0.73 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.42 1nik h MET 37 Cb 1.80 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 33.48 1nik h MET 37 CO -0.80 -0.21 0.52 0.82 1.06 0.00 0.00 176.91 178.29 1nik h ILE 38 N -0.33 1.13 0.00 -1.22 2.04 0.33 -3.40 117.51 116.06 1nik h ILE 38 Ca -0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1nik h ILE 38 Cb 0.25 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1nik h ILE 38 CO 0.05 0.19 -0.47 0.00 0.00 0.00 0.00 178.15 177.92 1nik n ALA 39 N -2.33 2.14 -0.02 1.87 0.00 0.54 -4.68 120.51 118.04 1nik n ALA 39 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nik n ALA 39 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1nik n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nik n GLU 40 N -1.24 -0.14 -2.57 0.00 1.02 0.28 -2.87 120.64 115.13 1nik n GLU 40 Ca 0.00 -0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 56.01 1nik n GLU 40 Cb 0.03 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1nik n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nik s ILE 41 N -0.21 4.50 0.95 -3.67 1.01 -1.21 -4.94 121.20 117.63 1nik s ILE 41 Ca 0.00 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 1nik s ILE 41 Cb 0.00 -4.15 0.16 0.00 0.01 0.00 0.00 42.46 38.48 1nik s ILE 41 CO 0.00 0.00 1.09 -2.84 0.00 0.00 0.00 174.94 173.19 1nik s PRO 42 N 2.10 0.77 -0.05 2.79 0.02 -1.26 -4.55 135.00 134.83 1nik s PRO 42 Ca 0.52 1.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 1nik s PRO 42 Cb -0.22 -1.74 0.11 0.00 0.02 0.00 0.00 34.50 32.68 1nik s PRO 42 CO 0.20 -2.63 0.98 0.99 -0.33 0.00 0.00 177.00 176.21 1nik s THR 43 N -2.76 0.00 -0.08 0.99 2.01 -0.64 -4.94 115.64 110.23 1nik s THR 43 Ca 0.65 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 1nik s THR 43 Cb -0.21 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1nik s THR 43 CO 0.59 0.00 0.23 -0.22 -0.69 0.00 0.00 174.62 174.53 1nik s LEU 44 N -2.42 4.42 -0.16 4.42 2.96 -1.26 -1.12 118.68 125.51 1nik s LEU 44 Ca 0.07 0.64 -0.28 0.00 -0.22 0.00 0.00 54.13 54.34 1nik s LEU 44 Cb -0.01 -2.25 0.08 0.00 0.50 0.00 0.00 46.19 44.51 1nik s LEU 44 CO -0.07 0.38 0.75 0.00 -1.32 0.00 0.00 176.35 176.09 1nik s ALA 45 N -1.04 -1.80 0.07 5.97 0.00 -0.76 -4.28 121.76 119.91 1nik s ALA 45 Ca 0.18 1.66 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 1nik s ALA 45 Cb -0.14 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 1nik s ALA 45 CO 0.07 -0.34 1.91 0.42 0.00 0.00 0.00 175.76 177.82 1nik s ILE 46 N -0.46 2.83 -0.22 0.00 1.01 -1.26 -0.27 121.20 122.83 1nik s ILE 46 Ca -0.05 0.05 0.16 0.00 0.00 0.00 0.00 60.65 60.80 1nik s ILE 46 Cb -0.02 -3.03 0.46 0.00 0.01 0.00 0.00 42.46 39.88 1nik s ILE 46 CO 0.04 -0.00 1.17 -0.67 0.00 0.00 0.00 174.94 175.48 1nik n ASP 47 N 6.78 2.66 0.00 3.58 2.03 -0.77 -4.30 116.55 126.52 1nik n ASP 47 Ca 0.19 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.51 1nik n ASP 47 Cb 0.40 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1nik n ASP 47 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1nik n SER 48 N -0.56 0.00 -4.17 1.67 2.88 -1.21 -4.94 113.62 107.29 1nik n SER 48 Ca 0.22 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.43 1nik n SER 48 Cb 0.90 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.19 1nik n SER 48 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nik s VAL 49 N 0.00 2.16 -0.40 2.46 1.01 -1.26 -0.11 120.40 124.26 1nik s VAL 49 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1nik s VAL 49 Cb 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1nik s VAL 49 CO 0.00 0.54 0.27 -0.70 0.00 0.00 0.00 175.10 175.21 1nik s GLU 50 N 0.97 2.93 -0.18 2.72 2.12 0.68 -4.96 118.70 122.99 1nik s GLU 50 Ca -0.03 -1.03 -0.18 0.00 0.36 0.00 0.00 54.97 54.09 1nik s GLU 50 Cb -0.15 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 1nik s GLU 50 CO -0.05 -0.73 0.47 0.08 -0.54 0.00 0.00 175.26 174.49 1nik s VAL 51 N 1.64 5.16 -0.25 3.70 1.01 -1.26 -1.48 120.40 128.91 1nik s VAL 51 Ca 0.04 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1nik s VAL 51 Cb -0.19 -3.80 -0.17 0.00 0.00 0.00 0.00 36.38 32.22 1nik s VAL 51 CO 0.09 0.24 -0.20 1.21 0.00 0.00 0.00 175.10 176.44 1nik n GLU 52 N 4.36 0.64 -3.73 2.72 2.13 0.11 -5.01 120.64 121.87 1nik n GLU 52 Ca -0.06 0.19 -0.13 0.00 0.66 0.00 0.00 57.16 57.82 1nik n GLU 52 Cb 0.51 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.58 1nik n GLU 52 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nik s THR 53 N -2.52 -0.00 -0.45 6.31 2.01 -1.07 -4.93 115.64 114.99 1nik s THR 53 Ca -0.35 0.02 0.05 0.00 0.31 0.00 0.00 61.69 61.72 1nik s THR 53 Cb 0.10 -0.58 0.18 0.00 0.01 0.00 0.00 72.50 72.21 1nik s THR 53 CO 0.59 0.01 0.51 0.21 -0.69 0.00 0.00 174.62 175.24 1nik s ASN 54 N 0.44 0.17 0.00 3.53 2.47 -1.25 0.29 114.94 120.60 1nik s ASN 54 Ca -0.02 -2.28 0.08 0.00 0.42 0.00 0.00 52.86 51.07 1nik s ASN 54 Cb -0.04 0.69 0.34 0.00 -1.45 0.00 0.00 41.25 40.79 1nik s ASN 54 CO -0.02 -0.14 1.25 0.41 -3.72 0.00 0.00 177.10 174.88 1nik n THR 55 N 3.12 0.17 -0.74 -5.21 -1.04 0.75 -4.93 114.28 106.41 1nik n THR 55 Ca 0.22 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 1nik n THR 55 Cb 0.51 0.07 0.27 0.00 -1.82 0.00 0.00 70.33 69.36 1nik n THR 55 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nik s THR 56 N -1.83 1.34 -0.56 12.58 2.01 -1.24 -4.62 115.64 123.31 1nik s THR 56 Ca 0.15 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.38 1nik s THR 56 Cb 0.08 -2.29 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 1nik s THR 56 CO 0.11 0.00 1.04 0.52 -0.69 0.00 0.00 174.62 175.60 1nik n VAL 57 N -5.26 0.22 -3.64 3.82 0.31 -1.26 -4.91 118.33 107.60 1nik n VAL 57 Ca 0.14 -0.28 -0.26 0.00 -0.01 0.00 0.00 64.34 63.93 1nik n VAL 57 Cb 0.60 0.12 -0.03 0.00 -0.91 0.00 0.00 33.84 33.62 1nik n VAL 57 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nik s LEU 58 N -4.10 4.19 0.71 7.52 1.43 -1.26 -5.10 118.68 122.07 1nik s LEU 58 Ca 0.03 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1nik s LEU 58 Cb 0.14 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1nik s LEU 58 CO 0.79 -0.10 1.07 0.00 0.23 0.00 0.00 176.35 178.35 1nik s ALA 59 N -1.98 2.68 0.01 4.21 0.00 -1.26 -4.91 121.76 120.51 1nik s ALA 59 Ca 0.39 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1nik s ALA 59 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1nik s ALA 59 CO 0.30 -1.25 1.06 -0.44 0.00 0.00 0.00 175.76 175.43 1nik h ASP 60 N -0.74 -0.23 -0.19 0.00 5.19 -1.99 -1.55 116.42 116.92 1nik h ASP 60 Ca -0.45 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 1nik h ASP 60 Cb 1.23 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 1nik h ASP 60 CO 0.60 -0.16 0.24 1.05 -3.12 0.00 0.00 179.24 177.85 1nik h GLU 61 N -0.28 0.00 -0.19 3.56 9.09 -1.97 0.41 114.58 125.20 1nik h GLU 61 Ca -0.03 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 1nik h GLU 61 Cb 0.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1nik h GLU 61 CO 0.04 0.00 -0.08 0.35 0.05 0.00 0.00 179.01 179.38 1nik h PHE 62 N 0.00 0.45 -0.26 2.06 -0.00 -1.90 0.15 116.94 117.43 1nik h PHE 62 Ca 0.09 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.97 57.91 1nik h PHE 62 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.41 1nik h PHE 62 CO 0.00 0.67 -0.02 0.82 -0.00 0.00 0.00 178.31 179.78 1nik h ILE 63 N 0.09 1.27 -0.93 1.41 2.04 0.61 -2.86 117.51 119.14 1nik h ILE 63 Ca 0.05 -0.97 0.13 0.00 1.00 0.00 0.00 64.86 65.06 1nik h ILE 63 Cb 0.55 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 1nik h ILE 63 CO 0.02 0.31 0.55 0.00 0.00 0.00 0.00 178.15 179.03 1nik h ALA 64 N 0.80 1.41 -0.19 1.87 0.00 -0.26 -0.82 119.26 122.07 1nik h ALA 64 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nik h ALA 64 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nik h ALA 64 CO 0.02 0.08 -0.03 1.25 0.00 0.00 0.00 179.25 180.57 1nik h HIS 65 N 0.82 -0.06 -0.73 0.00 -0.00 -0.74 -1.79 115.15 112.65 1nik h HIS 65 Ca 0.48 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.84 1nik h HIS 65 Cb 0.56 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.00 1nik h HIS 65 CO -0.04 -0.06 0.37 0.00 -0.00 0.00 0.00 177.93 178.20 1nik h ARG 66 N 0.02 1.04 0.04 5.26 3.08 -1.13 -2.32 114.38 120.37 1nik h ARG 66 Ca 0.09 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1nik h ARG 66 Cb 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1nik h ARG 66 CO -0.17 0.80 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.27 1nik h LEU 67 N 1.01 -0.54 -0.98 3.04 3.38 -0.77 -0.41 115.31 120.04 1nik h LEU 67 Ca 0.25 0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.52 1nik h LEU 67 Cb 0.09 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 1nik h LEU 67 CO -0.03 -0.26 0.56 1.23 0.09 0.00 0.00 178.44 180.02 1nik h GLY 68 N -0.33 1.81 2.00 0.83 0.00 -0.87 0.21 103.07 106.73 1nik h GLY 68 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1nik h GLY 68 CO -0.15 -0.21 -0.23 1.41 0.00 0.00 0.00 176.54 177.36 1nik h LEU 69 N 0.59 0.00 -9.45 3.11 4.07 -0.59 -3.39 115.31 109.64 1nik h LEU 69 Ca 0.61 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 58.04 1nik h LEU 69 Cb 1.11 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.88 1nik h LEU 69 CO -0.46 0.23 1.14 -0.63 -1.08 0.00 0.00 178.44 177.64 1nik s ILE 70 N -3.78 2.76 0.19 1.22 1.01 0.75 -4.93 121.20 118.42 1nik s ILE 70 Ca -0.00 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1nik s ILE 70 Cb 0.11 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 1nik s ILE 70 CO 0.63 -0.00 1.38 -2.16 0.00 0.00 0.00 174.94 174.80 1nik s PRO 71 N 3.31 4.33 0.14 2.79 0.04 -1.26 -4.72 135.00 139.62 1nik s PRO 71 Ca 0.82 2.15 0.10 0.00 0.04 0.00 0.00 61.00 64.12 1nik s PRO 71 Cb -0.44 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1nik s PRO 71 CO 0.37 -0.37 -0.25 -0.51 0.04 0.00 0.00 177.00 176.28 1nik s LEU 72 N 0.24 2.34 0.50 -3.56 1.43 -1.26 -1.86 118.68 116.52 1nik s LEU 72 Ca 0.60 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1nik s LEU 72 Cb -0.39 -1.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1nik s LEU 72 CO 0.37 0.14 0.96 1.67 0.23 0.00 0.00 176.35 179.72 1nik n GLN 73 N 0.79 1.13 -0.38 1.70 -0.06 -0.89 -4.48 117.38 115.19 1nik n GLN 73 Ca -0.17 0.42 0.00 0.00 -2.00 0.00 0.00 57.00 55.25 1nik n GLN 73 Cb 0.54 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 1nik n GLN 73 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1nik n SER 74 N 0.00 0.00 0.29 1.69 7.64 -0.36 -1.94 113.62 120.94 1nik n SER 74 Ca 0.11 -1.39 -0.17 0.00 1.01 0.00 0.00 58.87 58.44 1nik n SER 74 Cb 0.43 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.47 1nik n SER 74 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1nik h MET 75 N 0.00 -0.71 -0.97 1.43 -1.53 -1.70 -2.53 114.93 108.92 1nik h MET 75 Ca 0.00 0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.27 1nik h MET 75 Cb 1.15 0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 32.34 1nik h MET 75 CO 0.00 -0.47 0.05 -0.25 0.14 0.00 0.00 176.91 176.38 1nik n ASP 76 N -5.42 2.48 0.29 1.39 8.00 -0.94 -4.14 116.55 118.22 1nik n ASP 76 Ca -0.12 -2.19 0.17 0.00 0.71 0.00 0.00 54.79 53.36 1nik n ASP 76 Cb 0.31 -0.54 0.88 0.00 -0.02 0.00 0.00 41.12 41.75 1nik n ASP 76 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1nik h ILE 77 N 0.34 0.28 0.00 0.53 1.08 -1.69 -2.03 117.51 116.02 1nik h ILE 77 Ca 0.05 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1nik h ILE 77 Cb 1.03 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1nik h ILE 77 CO 0.12 0.05 0.00 -0.62 -0.69 0.00 0.00 178.15 177.01 1nik n GLU 78 N -3.38 0.11 -0.76 2.37 1.02 -1.26 -1.93 120.64 116.82 1nik n GLU 78 Ca -0.02 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.40 1nik n GLU 78 Cb 0.19 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.28 1nik n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nik n GLN 79 N -1.36 1.24 -4.89 3.49 10.64 -0.76 -4.96 117.38 120.77 1nik n GLN 79 Ca 0.05 -2.99 -0.27 0.00 -1.83 0.00 0.00 57.00 51.96 1nik n GLN 79 Cb 0.11 -1.27 -0.16 0.00 -0.86 0.00 0.00 30.24 28.05 1nik n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1nik s LEU 80 N -2.53 1.93 0.68 2.61 2.96 -0.81 -5.03 118.68 118.49 1nik s LEU 80 Ca 0.37 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1nik s LEU 80 Cb 0.37 -1.03 0.08 0.00 0.50 0.00 0.00 46.19 46.11 1nik s LEU 80 CO -0.09 0.16 0.96 -1.61 -1.32 0.00 0.00 176.35 174.46 1nik s GLU 81 N 0.03 2.08 -0.15 1.98 2.02 -0.77 -4.97 118.70 118.91 1nik s GLU 81 Ca -0.04 -0.60 -0.22 0.00 0.02 0.00 0.00 54.97 54.12 1nik s GLU 81 Cb -0.12 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 1nik s GLU 81 CO 0.03 -1.21 0.69 0.71 0.02 0.00 0.00 175.26 175.49 1nik s TYR 82 N -3.13 3.44 0.39 1.61 4.12 -1.26 -4.46 117.35 118.06 1nik s TYR 82 Ca 0.62 1.08 0.20 0.00 0.02 0.00 0.00 57.07 58.98 1nik s TYR 82 Cb -0.09 -2.84 1.15 0.00 -1.52 0.00 0.00 41.96 38.66 1nik s TYR 82 CO 0.43 -0.11 1.73 0.77 0.02 0.00 0.00 175.55 178.40 1nik h SER 83 N 7.23 0.43 0.17 2.29 0.02 -1.89 1.00 113.55 122.80 1nik h SER 83 Ca -0.34 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1nik h SER 83 Cb 1.16 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1nik h SER 83 CO 0.78 0.02 0.00 -2.11 -1.14 0.00 0.00 176.83 174.38 1nik n ARG 84 N -4.69 0.12 -0.00 3.45 1.85 -1.26 -2.30 116.66 113.83 1nik n ARG 84 Ca 0.28 0.21 0.01 0.00 -1.00 0.00 0.00 57.85 57.35 1nik n ARG 84 Cb 0.98 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.87 1nik n ARG 84 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1nik n ASP 85 N -1.29 3.34 -4.75 2.89 8.00 0.34 -5.00 116.55 120.08 1nik n ASP 85 Ca 0.04 -0.14 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 1nik n ASP 85 Cb 0.07 1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 42.24 1nik n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nik n PHE 87 N 1.76 0.00 -2.08 0.00 3.01 -1.26 -4.83 117.46 114.06 1nik n PHE 87 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 1nik n PHE 87 Cb 0.44 -0.04 0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1nik n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nik s GLU 89 N -5.29 4.17 6.99 0.00 2.12 -1.26 -4.79 118.70 120.63 1nik s GLU 89 Ca 0.58 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1nik s GLU 89 Cb -0.11 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1nik s GLU 89 CO 0.48 -0.35 0.00 -3.47 -0.54 0.00 0.00 175.26 171.38 1nik n ASP 90 N 5.45 0.00 -4.57 -1.70 -0.08 -1.26 -4.82 116.55 109.57 1nik n ASP 90 Ca -0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.97 1nik n ASP 90 Cb 0.49 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.87 1nik n ASP 90 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1nik s HIS 91 N 0.00 1.89 0.01 -0.67 -3.43 -1.26 -4.90 115.29 106.93 1nik s HIS 91 Ca 0.00 -1.02 -0.01 0.00 -0.80 0.00 0.00 55.06 53.23 1nik s HIS 91 Cb 0.00 -1.50 0.00 0.00 -1.43 0.00 0.00 32.58 29.66 1nik s HIS 91 CO 0.00 0.10 0.03 0.00 -2.00 0.00 0.00 174.74 172.87 1nik n ASP 93 N -0.72 2.52 -0.01 0.00 8.00 -1.26 -1.61 116.55 123.47 1nik n ASP 93 Ca -0.00 -2.22 0.05 0.00 0.71 0.00 0.00 54.79 53.32 1nik n ASP 93 Cb 0.02 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 1nik n ASP 93 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nik n LYS 94 N 0.38 0.42 0.00 -1.24 4.81 -1.26 -4.66 118.16 116.61 1nik n LYS 94 Ca 0.12 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1nik n LYS 94 Cb 0.49 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1nik n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nik n SER 96 N -0.13 -1.21 -3.62 0.00 3.41 -0.63 -4.30 113.62 107.14 1nik n SER 96 Ca 0.00 -2.17 -0.07 0.00 -0.26 0.00 0.00 58.87 56.36 1nik n SER 96 Cb 0.36 2.12 -0.09 0.00 -0.26 0.00 0.00 64.21 66.34 1nik n SER 96 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nik s VAL 97 N -2.55 -0.70 -0.24 -3.33 1.01 -1.00 -4.65 120.40 108.94 1nik s VAL 97 Ca 0.15 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1nik s VAL 97 Cb -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1nik s VAL 97 CO 0.11 0.04 0.12 -0.69 0.00 0.00 0.00 175.10 174.68 1nik s VAL 98 N 2.65 4.96 0.09 2.92 1.01 -1.26 -0.80 120.40 129.97 1nik s VAL 98 Ca -0.00 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1nik s VAL 98 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1nik s VAL 98 CO -0.14 0.35 -0.11 -0.76 0.00 0.00 0.00 175.10 174.45 1nik s LEU 99 N 1.16 3.01 -0.01 3.92 1.43 -0.55 -0.53 118.68 127.11 1nik s LEU 99 Ca 0.06 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1nik s LEU 99 Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1nik s LEU 99 CO 0.05 0.19 -0.10 -0.89 0.23 0.00 0.00 176.35 175.83 1nik s THR 100 N -1.18 3.43 -0.08 5.49 2.01 -0.50 -0.33 115.64 124.47 1nik s THR 100 Ca 0.21 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1nik s THR 100 Cb -0.11 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1nik s THR 100 CO 0.13 0.44 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.17 1nik s LEU 101 N -1.25 1.46 -0.04 4.42 2.96 -0.81 -1.03 118.68 124.39 1nik s LEU 101 Ca 0.15 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1nik s LEU 101 Cb -0.11 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.79 1nik s LEU 101 CO 0.05 -0.03 0.07 -1.10 -1.32 0.00 0.00 176.35 174.02 1nik s GLN 102 N 1.09 -0.02 -0.11 1.98 -0.21 -1.26 0.65 119.66 121.78 1nik s GLN 102 Ca -0.07 0.30 -0.08 0.00 0.02 0.00 0.00 55.36 55.53 1nik s GLN 102 Cb -0.14 -0.30 0.04 0.00 1.00 0.00 0.00 33.01 33.60 1nik s GLN 102 CO -0.01 -0.22 0.27 0.00 -2.12 0.00 0.00 175.29 173.21 1nik s ALA 103 N 1.46 -0.67 -0.04 6.09 0.00 0.12 -5.01 121.76 123.72 1nik s ALA 103 Ca -0.05 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1nik s ALA 103 Cb -0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1nik s ALA 103 CO -0.04 -0.16 -0.15 0.12 0.00 0.00 0.00 175.76 175.53 1nik s PHE 104 N 0.59 1.51 -0.44 0.00 5.36 -1.26 -1.65 117.98 122.09 1nik s PHE 104 Ca -0.04 -0.41 -0.28 0.00 -0.96 0.00 0.00 56.93 55.24 1nik s PHE 104 Cb -0.05 -1.02 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 1nik s PHE 104 CO -0.03 -0.14 1.55 0.20 -1.46 0.00 0.00 175.22 175.34 1nik s GLY 105 N 0.05 0.90 -0.02 13.12 0.00 0.10 -4.81 107.32 116.66 1nik s GLY 105 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 1nik s GLY 105 CO 0.02 2.96 -0.04 -2.21 0.00 0.00 0.00 173.10 173.83 1nik n GLU 106 N 8.38 0.07 -1.19 2.90 4.07 -1.25 -4.01 120.64 129.61 1nik n GLU 106 Ca 0.18 0.16 -0.30 0.00 -0.06 0.00 0.00 57.16 57.14 1nik n GLU 106 Cb 0.48 -0.76 0.15 0.00 -0.06 0.00 0.00 31.44 31.25 1nik n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1nik s SER 107 N -4.03 3.31 -0.30 4.31 1.04 -1.26 -4.89 113.70 111.88 1nik s SER 107 Ca -0.03 1.44 0.06 0.00 0.48 0.00 0.00 55.95 57.89 1nik s SER 107 Cb 0.00 -2.12 0.57 0.00 0.10 0.00 0.00 66.02 64.58 1nik s SER 107 CO 0.04 -2.73 1.65 -0.62 0.98 0.00 0.00 173.24 172.56 1nik n GLU 108 N -3.94 2.65 -2.01 4.02 1.02 -1.26 -4.24 120.64 116.89 1nik n GLU 108 Ca 0.07 -2.41 -0.15 0.00 -0.02 0.00 0.00 57.16 54.64 1nik n GLU 108 Cb 0.56 -1.99 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1nik n GLU 108 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1nik n SER 109 N -0.39 3.83 -2.23 1.62 3.41 -1.26 -5.00 113.62 113.60 1nik n SER 109 Ca 0.39 -3.39 -0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1nik n SER 109 Cb 1.29 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1nik n SER 109 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nik n THR 110 N -0.70 -8.34 -3.56 6.66 -1.04 -1.26 -4.93 114.28 101.11 1nik n THR 110 Ca 0.33 1.97 -0.36 0.00 -2.04 0.00 0.00 64.05 63.94 1nik n THR 110 Cb 0.91 -4.35 -0.08 0.00 -1.82 0.00 0.00 70.33 64.99 1nik n THR 110 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nik s THR 111 N -0.37 5.31 0.21 12.58 2.01 -1.17 -4.94 115.64 129.27 1nik s THR 111 Ca -0.00 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 1nik s THR 111 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1nik s THR 111 CO 0.00 0.36 0.48 0.20 -0.69 0.00 0.00 174.62 174.97 1nik s ASN 112 N 0.68 6.52 -0.27 3.53 0.02 -1.26 -1.44 114.94 122.72 1nik s ASN 112 Ca 0.14 0.72 0.02 0.00 -1.02 0.00 0.00 52.86 52.71 1nik s ASN 112 Cb -0.13 -2.14 0.06 0.00 0.02 0.00 0.00 41.25 39.05 1nik s ASN 112 CO 0.04 -0.05 -0.08 -0.69 0.02 0.00 0.00 177.10 176.33 1nik s VAL 113 N -1.82 2.39 0.40 1.60 1.01 0.22 -4.98 120.40 119.21 1nik s VAL 113 Ca 0.44 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1nik s VAL 113 Cb -0.11 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1nik s VAL 113 CO 0.25 -0.05 0.45 -0.31 0.00 0.00 0.00 175.10 175.44 1nik s TYR 114 N 1.14 2.83 0.21 5.22 1.51 -1.26 -0.14 117.35 126.86 1nik s TYR 114 Ca -0.08 -0.40 0.36 0.00 -1.01 0.00 0.00 57.07 55.94 1nik s TYR 114 Cb -0.20 -2.18 1.59 0.00 -0.11 0.00 0.00 41.96 41.05 1nik s TYR 114 CO -0.04 -0.19 2.06 0.66 -1.11 0.00 0.00 175.55 176.94 1nik h SER 115 N 0.89 0.00 0.22 2.29 4.64 -0.37 -1.56 113.55 119.65 1nik h SER 115 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1nik h SER 115 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1nik h SER 115 CO 0.52 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.77 1nik n LYS 116 N -3.07 0.07 0.00 4.77 2.85 -1.25 -1.96 118.16 119.56 1nik n LYS 116 Ca -0.00 0.27 0.12 0.00 -1.05 0.00 0.00 58.31 57.65 1nik n LYS 116 Cb 0.25 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.30 1nik n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nik n ASP 117 N -1.38 0.63 -4.76 -5.58 9.92 -0.59 -4.89 116.55 109.90 1nik n ASP 117 Ca 0.03 -0.44 -0.38 0.00 -0.53 0.00 0.00 54.79 53.47 1nik n ASP 117 Cb 0.08 0.43 0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1nik n ASP 117 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nik s LEU 118 N -2.99 3.88 -0.23 0.64 1.43 -0.83 -4.69 118.68 115.89 1nik s LEU 118 Ca 0.10 2.63 -0.02 0.00 -1.03 0.00 0.00 54.13 55.81 1nik s LEU 118 Cb 0.17 -4.28 0.07 0.00 0.03 0.00 0.00 46.19 42.18 1nik s LEU 118 CO 0.74 -1.41 0.04 -0.69 0.23 0.00 0.00 176.35 175.26 1nik s VAL 119 N -1.38 0.77 0.03 -1.59 1.01 -0.19 -4.88 120.40 114.16 1nik s VAL 119 Ca 0.70 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 1nik s VAL 119 Cb -0.37 -1.32 -0.12 0.00 0.00 0.00 0.00 36.38 34.58 1nik s VAL 119 CO 0.44 -0.32 1.81 -0.38 0.00 0.00 0.00 175.10 176.65 1nik n ILE 120 N 4.94 0.42 -0.10 2.22 5.41 -1.26 -1.41 119.36 129.58 1nik n ILE 120 Ca -0.08 -0.08 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 1nik n ILE 120 Cb 0.45 -1.90 -0.10 0.00 -0.71 0.00 0.00 39.64 37.38 1nik n ILE 120 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1nik n VAL 121 N 4.69 1.18 -1.11 1.39 0.31 0.31 -4.94 118.33 120.15 1nik n VAL 121 Ca 0.20 -0.52 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1nik n VAL 121 Cb 0.32 -1.08 0.20 0.00 -0.91 0.00 0.00 33.84 32.38 1nik n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1nik s SER 122 N -5.78 1.94 -0.49 4.52 1.04 -1.19 -4.97 113.70 108.77 1nik s SER 122 Ca -0.23 1.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1nik s SER 122 Cb 0.07 -1.53 0.04 0.00 0.10 0.00 0.00 66.02 64.69 1nik s SER 122 CO 0.53 -3.54 0.72 0.21 0.98 0.00 0.00 173.24 172.14 1nik s ASN 123 N -3.57 6.30 0.64 7.02 2.47 -1.26 -4.90 114.94 121.64 1nik s ASN 123 Ca 0.67 -0.54 0.33 0.00 0.42 0.00 0.00 52.86 53.74 1nik s ASN 123 Cb -0.16 -2.34 1.80 0.00 -1.45 0.00 0.00 41.25 39.10 1nik s ASN 123 CO 0.57 -0.94 2.07 -0.07 -3.72 0.00 0.00 177.10 175.02 1nik h LEU 124 N 10.04 0.00 -0.70 3.21 3.38 -1.92 -3.45 115.31 125.87 1nik h LEU 124 Ca -0.26 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 1nik h LEU 124 Cb 1.09 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.95 1nik h LEU 124 CO 0.97 0.00 -0.59 0.23 0.09 0.00 0.00 178.44 179.14 1nik n MET 125 N -3.28 -6.74 -1.96 1.13 2.81 -1.26 -2.83 117.12 104.98 1nik n MET 125 Ca -0.00 0.73 -0.17 0.00 -1.81 0.00 0.00 57.70 56.45 1nik n MET 125 Cb 0.32 -5.47 -0.04 0.00 -0.71 0.00 0.00 33.22 27.32 1nik n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nik n GLY 126 N -1.79 0.58 3.50 3.03 0.00 -1.26 -4.98 105.19 104.26 1nik n GLY 126 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1nik n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nik s ARG 127 N -4.27 2.87 -0.45 1.61 1.70 -1.13 -5.05 118.95 114.24 1nik s ARG 127 Ca 0.00 -0.62 -0.28 0.00 -0.47 0.00 0.00 55.73 54.36 1nik s ARG 127 Cb 0.00 -2.56 -0.02 0.00 -0.57 0.00 0.00 34.95 31.81 1nik s ARG 127 CO 0.00 0.52 1.78 1.21 -1.08 0.00 0.00 175.30 177.73 1nik s ASN 128 N -0.45 5.69 -0.26 -2.89 2.47 -1.26 -4.89 114.94 113.36 1nik s ASN 128 Ca 0.06 0.87 -0.26 0.00 0.42 0.00 0.00 52.86 53.95 1nik s ASN 128 Cb -0.12 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.24 1nik s ASN 128 CO 0.02 -1.94 0.85 -0.51 -3.72 0.00 0.00 177.10 171.80 1nik s ILE 129 N 7.60 0.00 -0.77 -5.21 2.07 -1.26 -2.21 121.20 121.41 1nik s ILE 129 Ca 0.73 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.96 1nik s ILE 129 Cb -0.17 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.41 1nik s ILE 129 CO 0.28 0.00 0.70 0.61 -1.91 0.00 0.00 174.94 174.62 1nik n GLY 130 N 2.32 -1.24 2.84 1.50 0.00 -0.82 -4.88 105.19 104.90 1nik n GLY 130 Ca -0.14 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1nik n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nik s HIS 131 N -3.03 1.30 -0.47 1.61 3.76 -1.26 -4.76 115.29 112.44 1nik s HIS 131 Ca 0.03 -0.77 -0.44 0.00 -0.15 0.00 0.00 55.06 53.74 1nik s HIS 131 Cb -0.01 -1.13 -0.18 0.00 1.11 0.00 0.00 32.58 32.37 1nik s HIS 131 CO 0.77 -0.53 1.99 -2.30 -0.85 0.00 0.00 174.74 173.82 1nik n PRO 132 N 4.98 0.18 -2.29 8.40 -0.02 -1.26 -2.10 135.00 142.88 1nik n PRO 132 Ca -0.10 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1nik n PRO 132 Cb 0.49 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1nik n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nik s ILE 133 N 5.26 3.56 -0.14 4.25 1.01 -0.77 -4.90 121.20 129.47 1nik s ILE 133 Ca 1.14 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 62.95 1nik s ILE 133 Cb -1.41 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 37.35 1nik s ILE 133 CO 0.68 0.12 -0.04 -0.63 0.00 0.00 0.00 174.94 175.07 1nik s ILE 134 N 0.76 0.90 -0.30 2.92 1.01 -1.26 -4.70 121.20 120.53 1nik s ILE 134 Ca 0.60 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1nik s ILE 134 Cb -0.34 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1nik s ILE 134 CO 0.32 0.16 0.71 0.00 0.00 0.00 0.00 174.94 176.13 1nik n GLN 135 N 4.96 0.31 -0.61 2.79 6.02 -1.26 -4.98 117.38 124.61 1nik n GLN 135 Ca -0.11 -0.91 -0.20 0.00 -0.01 0.00 0.00 57.00 55.77 1nik n GLN 135 Cb 0.48 -1.05 0.13 0.00 1.02 0.00 0.00 30.24 30.82 1nik n GLN 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1nik n ASP 136 N 0.04 -2.82 -0.13 1.08 -0.08 -1.26 -4.94 116.55 108.44 1nik n ASP 136 Ca 0.02 -0.28 -0.24 0.00 -1.51 0.00 0.00 54.79 52.78 1nik n ASP 136 Cb 0.13 -0.75 -0.11 0.00 2.34 0.00 0.00 41.12 42.73 1nik n ASP 136 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1nik n LYS 137 N -1.14 0.62 0.01 -0.67 4.81 -1.26 -4.25 118.16 116.28 1nik n LYS 137 Ca 0.04 0.23 0.14 0.00 -0.87 0.00 0.00 58.31 57.84 1nik n LYS 137 Cb 0.39 -1.53 0.60 0.00 0.02 0.00 0.00 35.03 34.51 1nik n LYS 137 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1nik n GLU 138 N -3.78 0.02 -2.51 1.64 1.02 -1.26 -4.95 120.64 110.81 1nik n GLU 138 Ca -0.49 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 56.63 1nik n GLU 138 Cb 0.93 -1.52 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 1nik n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nik n GLY 139 N 1.45 0.50 2.35 0.62 0.00 -1.26 -5.02 105.19 103.83 1nik n GLY 139 Ca 0.07 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1nik n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nik n ASN 140 N -0.28 2.60 -4.45 1.61 3.02 -1.26 -4.88 115.26 111.61 1nik n ASN 140 Ca -0.02 -3.21 -0.54 0.00 -0.03 0.00 0.00 54.58 50.78 1nik n ASN 140 Cb 0.52 -0.66 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 1nik n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nik n GLY 141 N 1.00 0.42 1.71 7.41 0.00 -1.26 -4.56 105.19 109.91 1nik n GLY 141 Ca 0.27 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.26 1nik n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nik n VAL 142 N 6.55 -5.41 -3.40 1.61 0.31 -1.26 -0.45 118.33 116.28 1nik n VAL 142 Ca 0.41 2.49 -0.44 0.00 -0.01 0.00 0.00 64.34 66.79 1nik n VAL 142 Cb 0.15 -3.48 -0.07 0.00 -0.91 0.00 0.00 33.84 29.53 1nik n VAL 142 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1nik s LEU 143 N -3.75 5.79 -0.05 7.52 2.96 -1.26 -2.37 118.68 127.51 1nik s LEU 143 Ca 0.00 -1.59 -0.19 0.00 -0.22 0.00 0.00 54.13 52.14 1nik s LEU 143 Cb 0.00 -2.15 -0.13 0.00 0.50 0.00 0.00 46.19 44.41 1nik s LEU 143 CO 0.00 -0.72 0.76 0.40 -1.32 0.00 0.00 176.35 175.47 1nik h ILE 144 N 5.89 0.63 -3.15 6.68 2.04 -0.85 -3.49 117.51 125.26 1nik h ILE 144 Ca -0.28 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.58 1nik h ILE 144 Cb 1.10 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1nik h ILE 144 CO 0.92 0.17 0.14 0.00 0.00 0.00 0.00 178.15 179.38 1nik s LYS 146 N -3.92 1.19 0.26 0.00 1.02 -1.26 0.69 119.74 117.73 1nik s LYS 146 Ca 0.12 -0.73 0.12 0.00 0.02 0.00 0.00 55.97 55.50 1nik s LYS 146 Cb -0.04 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1nik s LYS 146 CO 0.04 0.32 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.10 1nik s LEU 147 N -0.84 2.65 0.00 3.17 1.43 -0.52 -4.67 118.68 119.90 1nik s LEU 147 Ca 0.05 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1nik s LEU 147 Cb -0.07 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1nik s LEU 147 CO 0.01 0.05 0.00 -1.14 0.23 0.00 0.00 176.35 175.50 1nik n ARG 148 N -0.50 3.85 0.00 1.70 0.63 -1.26 -3.04 116.66 118.03 1nik n ARG 148 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1nik n ARG 148 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1nik n ARG 148 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1nik n LYS 149 N 0.00 0.00 -3.03 -0.14 5.02 -1.26 -4.00 118.16 114.74 1nik n LYS 149 Ca 0.00 0.53 -0.26 0.00 -2.02 0.00 0.00 58.31 56.57 1nik n LYS 149 Cb 0.00 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 1nik n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nik n GLY 150 N -0.90 5.17 3.89 0.72 0.00 -1.26 -3.84 105.19 108.97 1nik n GLY 150 Ca 0.00 -2.59 -0.34 0.00 0.00 0.00 0.00 46.02 43.08 1nik n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nik s GLN 151 N -3.17 3.57 0.19 1.61 -0.21 -1.26 -4.81 119.66 115.59 1nik s GLN 151 Ca 0.46 -0.09 0.09 0.00 0.02 0.00 0.00 55.36 55.85 1nik s GLN 151 Cb 0.28 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1nik s GLN 151 CO -0.12 0.65 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.38 1nik s GLU 152 N -1.77 1.98 -0.26 2.91 2.02 -1.26 0.02 118.70 122.34 1nik s GLU 152 Ca 0.27 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 1nik s GLU 152 Cb -0.13 -2.10 0.15 0.00 0.10 0.00 0.00 34.13 32.15 1nik s GLU 152 CO 0.16 0.42 0.44 -1.17 0.02 0.00 0.00 175.26 175.13 1nik s LEU 153 N -2.87 -0.85 -0.29 1.80 2.96 -0.66 -0.18 118.68 118.59 1nik s LEU 153 Ca 0.25 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1nik s LEU 153 Cb -0.08 1.40 0.08 0.00 0.50 0.00 0.00 46.19 48.09 1nik s LEU 153 CO 0.15 -0.29 0.03 -0.75 -1.32 0.00 0.00 176.35 174.16 1nik s LYS 154 N 2.63 1.25 0.44 1.98 2.20 0.15 -0.70 119.74 127.69 1nik s LYS 154 Ca 0.15 -1.24 0.05 0.00 -0.36 0.00 0.00 55.97 54.57 1nik s LYS 154 Cb -0.15 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1nik s LYS 154 CO -0.18 -0.82 0.07 -0.51 -0.36 0.00 0.00 175.35 173.54 1nik s LEU 155 N 1.35 2.77 -0.26 5.43 1.43 0.21 0.07 118.68 129.68 1nik s LEU 155 Ca 0.04 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 51.75 1nik s LEU 155 Cb -0.18 -0.99 0.15 0.00 0.03 0.00 0.00 46.19 45.20 1nik s LEU 155 CO -0.13 -0.61 0.43 -0.89 0.23 0.00 0.00 176.35 175.38 1nik s THR 156 N -2.73 -0.70 0.17 5.49 2.01 -0.55 -1.93 115.64 117.40 1nik s THR 156 Ca 0.29 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1nik s THR 156 Cb 0.06 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1nik s THR 156 CO 0.15 -0.11 0.14 0.00 -0.69 0.00 0.00 174.62 174.12 1nik s VAL 158 N -1.76 1.71 0.04 0.00 1.01 0.84 -1.48 120.40 120.76 1nik s VAL 158 Ca 0.31 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1nik s VAL 158 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1nik s VAL 158 CO 0.24 -0.39 0.98 0.00 0.00 0.00 0.00 175.10 175.93 1nik s ALA 159 N 1.24 3.20 0.30 5.51 0.00 0.02 -1.84 121.76 130.18 1nik s ALA 159 Ca 0.03 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1nik s ALA 159 Cb -0.19 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1nik s ALA 159 CO -0.11 -0.17 -0.00 0.15 0.00 0.00 0.00 175.76 175.64 1nik s LYS 160 N 0.65 1.58 0.18 0.00 1.02 0.63 -2.37 119.74 121.42 1nik s LYS 160 Ca 0.50 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 1nik s LYS 160 Cb -0.22 -0.98 -0.08 0.00 -0.52 0.00 0.00 37.83 36.03 1nik s LYS 160 CO 0.29 -0.08 1.09 0.21 -0.92 0.00 0.00 175.35 175.95 1nik s LYS 161 N -3.81 4.60 0.31 1.68 2.20 -1.26 -1.83 119.74 121.63 1nik s LYS 161 Ca 0.32 1.71 -0.18 0.00 -0.36 0.00 0.00 55.97 57.46 1nik s LYS 161 Cb 0.06 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.17 1nik s LYS 161 CO 0.13 0.09 0.89 0.20 -0.36 0.00 0.00 175.35 176.30 1nik s GLY 162 N -0.16 0.27 0.05 5.54 0.00 -0.27 -4.84 107.32 107.90 1nik s GLY 162 Ca 0.49 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1nik s GLY 162 CO 0.35 0.76 -0.05 -0.26 0.00 0.00 0.00 173.10 173.90 1nik s ILE 163 N -2.26 0.35 0.59 0.90 -4.36 -1.26 -1.62 121.20 113.54 1nik s ILE 163 Ca 0.18 -1.34 0.32 0.00 -0.26 0.00 0.00 60.65 59.54 1nik s ILE 163 Cb -0.04 -0.89 0.47 0.00 1.25 0.00 0.00 42.46 43.24 1nik s ILE 163 CO 0.09 -0.65 1.43 0.00 0.24 0.00 0.00 174.94 176.05 1nik h ALA 164 N 3.97 3.09 -0.21 2.27 0.00 -1.48 -0.42 119.26 126.47 1nik h ALA 164 Ca -0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1nik h ALA 164 Cb 1.18 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nik h ALA 164 CO 0.51 -1.79 -0.27 0.87 0.00 0.00 0.00 179.25 178.57 1nik h LYS 165 N 0.00 0.56 -0.16 0.00 1.57 -1.90 -2.98 116.57 113.66 1nik h LYS 165 Ca 0.56 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 1nik h LYS 165 Cb 2.92 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 35.24 1nik h LYS 165 CO -0.01 0.92 -0.51 0.93 -0.57 0.00 0.00 179.45 180.21 1nik h GLU 166 N 0.24 0.44 -1.75 3.15 5.08 -1.44 -3.45 114.58 116.84 1nik h GLU 166 Ca 0.03 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1nik h GLU 166 Cb 0.84 0.02 -0.22 0.00 0.50 0.00 0.00 28.75 29.90 1nik h GLU 166 CO 0.06 0.85 0.37 -1.58 -1.00 0.00 0.00 179.01 177.72 1nik s HIS 167 N -4.02 -0.52 0.19 4.33 5.04 -0.95 -5.03 115.29 114.33 1nik s HIS 167 Ca -0.06 1.00 0.25 0.00 -1.54 0.00 0.00 55.06 54.70 1nik s HIS 167 Cb 0.12 0.41 1.02 0.00 0.04 0.00 0.00 32.58 34.17 1nik s HIS 167 CO 0.82 -0.42 1.87 0.00 -2.34 0.00 0.00 174.74 174.67 1nik h ALA 168 N 3.18 1.06 -0.35 1.58 0.00 -1.83 -2.68 119.26 120.22 1nik h ALA 168 Ca -0.24 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1nik h ALA 168 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1nik h ALA 168 CO 0.28 0.26 0.25 1.57 0.00 0.00 0.00 179.25 181.62 1nik h LYS 169 N 0.00 0.00 -0.13 0.00 2.10 -1.90 -0.39 116.57 116.25 1nik h LYS 169 Ca -0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nik h LYS 169 Cb 0.67 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1nik h LYS 169 CO 0.03 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.39 1nik n TRP 170 N -4.43 0.05 -3.11 0.07 8.01 -1.02 -4.84 117.44 112.17 1nik n TRP 170 Ca 0.05 -0.02 -0.39 0.00 -1.31 0.00 0.00 57.50 55.83 1nik n TRP 170 Cb 0.43 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.67 1nik n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1nik s GLY 171 N -0.90 2.71 -0.05 6.99 0.00 -0.16 -3.43 107.32 112.48 1nik s GLY 171 Ca 0.02 0.16 0.20 0.00 0.00 0.00 0.00 44.72 45.10 1nik s GLY 171 CO 0.01 0.87 0.44 -1.55 0.00 0.00 0.00 173.10 172.87 1nik n PRO 172 N 2.57 0.66 -0.23 2.90 -0.04 -1.26 -4.66 135.00 134.94 1nik n PRO 172 Ca -0.05 -0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 1nik n PRO 172 Cb 0.50 -1.57 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1nik n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nik h ALA 173 N 1.63 0.84 -0.42 0.55 0.00 -1.83 -0.14 119.26 119.89 1nik h ALA 173 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1nik h ALA 173 Cb 1.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nik h ALA 173 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1nik n ALA 174 N -2.43 0.00 -3.22 0.00 0.00 -1.26 -3.78 120.51 109.82 1nik n ALA 174 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1nik n ALA 174 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 1nik n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nik s ALA 175 N -1.00 0.28 -0.22 0.00 0.00 -1.26 -5.02 121.76 114.53 1nik s ALA 175 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1nik s ALA 175 Cb 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1nik s ALA 175 CO 0.00 0.00 -0.12 0.42 0.00 0.00 0.00 175.76 176.06 1nik s ILE 176 N 0.42 1.93 0.81 0.00 1.01 -1.26 -1.55 121.20 122.55 1nik s ILE 176 Ca -0.04 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1nik s ILE 176 Cb -0.07 -1.98 0.08 0.00 0.01 0.00 0.00 42.46 40.51 1nik s ILE 176 CO -0.01 0.14 1.09 -1.61 0.00 0.00 0.00 174.94 174.55 1nik s GLU 177 N 1.26 1.92 -0.30 2.79 2.02 -0.80 -4.92 118.70 120.68 1nik s GLU 177 Ca -0.03 0.97 -0.18 0.00 0.02 0.00 0.00 54.97 55.75 1nik s GLU 177 Cb -0.17 -1.87 0.18 0.00 0.10 0.00 0.00 34.13 32.37 1nik s GLU 177 CO -0.08 -1.82 1.19 0.12 0.02 0.00 0.00 175.26 174.69 1nik s PHE 178 N -2.95 -0.26 0.04 1.61 5.36 -1.26 -3.41 117.98 117.12 1nik s PHE 178 Ca 0.62 0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 56.93 1nik s PHE 178 Cb -0.17 0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 1nik s PHE 178 CO 0.56 -0.13 0.08 -2.00 -1.46 0.00 0.00 175.22 172.27 1nik s GLU 179 N 2.36 0.57 -0.22 10.12 2.12 -1.16 -4.99 118.70 127.50 1nik s GLU 179 Ca -0.02 -0.76 -0.15 0.00 0.36 0.00 0.00 54.97 54.40 1nik s GLU 179 Cb -0.04 0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.64 1nik s GLU 179 CO -0.15 -0.14 0.56 1.52 -0.54 0.00 0.00 175.26 176.51 1nik s TYR 180 N -2.59 -0.75 -0.69 5.30 -0.85 -1.26 -1.02 117.35 115.48 1nik s TYR 180 Ca -0.05 1.64 -0.03 0.00 -0.52 0.00 0.00 57.07 58.11 1nik s TYR 180 Cb -0.01 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 1nik s TYR 180 CO -0.05 -0.38 0.62 -3.47 -1.52 0.00 0.00 175.55 170.75 1nik n ASP 181 N 3.69 -5.86 -0.34 -0.18 2.03 -1.26 -4.90 116.55 109.74 1nik n ASP 181 Ca -0.18 -0.33 0.17 0.00 0.52 0.00 0.00 54.79 54.96 1nik n ASP 181 Cb 0.57 -4.12 0.37 0.00 -0.72 0.00 0.00 41.12 37.22 1nik n ASP 181 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nik h PRO 182 N -0.32 0.56 -6.30 -0.67 0.13 -1.93 -3.35 132.00 120.12 1nik h PRO 182 Ca -0.26 -0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 1nik h PRO 182 Cb 1.13 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1nik h PRO 182 CO 0.29 0.37 -0.16 -1.58 -0.23 0.00 0.00 178.00 176.69 1nik s TRP 183 N -5.79 3.52 -1.51 1.56 0.52 -1.26 -4.84 118.94 111.14 1nik s TRP 183 Ca -0.11 0.88 -0.08 0.00 0.02 0.00 0.00 56.10 56.80 1nik s TRP 183 Cb 0.27 -2.24 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1nik s TRP 183 CO 0.80 0.39 2.74 -1.71 0.02 0.00 0.00 176.95 179.18 1nik n ASN 184 N 0.41 8.40 -0.09 2.95 5.15 -1.26 -4.44 115.26 126.38 1nik n ASN 184 Ca -0.03 -2.79 -0.12 0.00 -0.60 0.00 0.00 54.58 51.04 1nik n ASN 184 Cb 0.52 -1.49 0.01 0.00 -0.53 0.00 0.00 39.78 38.29 1nik n ASN 184 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1nik h LYS 185 N 4.88 0.85 0.00 1.20 1.57 -1.92 -2.65 116.57 120.50 1nik h LYS 185 Ca 0.81 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1nik h LYS 185 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1nik h LYS 185 CO 1.68 1.08 0.00 -0.11 -0.57 0.00 0.00 179.45 181.53 1nik n LEU 186 N -4.05 0.65 -3.69 2.94 7.94 -1.26 -4.76 117.00 114.77 1nik n LEU 186 Ca -0.02 0.68 -0.28 0.00 -1.11 0.00 0.00 56.01 55.28 1nik n LEU 186 Cb 0.53 -0.61 0.03 0.00 0.53 0.00 0.00 43.42 43.90 1nik n LEU 186 CO 0.48 -0.62 0.09 0.29 -1.11 0.00 0.00 177.39 176.52 1nik n LYS 187 N -2.23 -5.37 -0.02 1.96 5.02 -1.00 -4.86 118.16 111.65 1nik n LYS 187 Ca 0.02 0.64 0.07 0.00 -2.02 0.00 0.00 58.31 57.02 1nik n LYS 187 Cb 0.20 -5.52 0.37 0.00 -0.02 0.00 0.00 35.03 30.06 1nik n LYS 187 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nik n HIS 188 N -4.58 0.06 -3.79 2.13 8.25 -1.26 -4.80 115.22 111.22 1nik n HIS 188 Ca 0.01 -0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1nik n HIS 188 Cb 0.54 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.60 1nik n HIS 188 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1nik s THR 189 N -1.94 0.07 -0.31 1.59 2.01 -1.26 -5.12 115.64 110.68 1nik s THR 189 Ca 0.22 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 1nik s THR 189 Cb 0.10 -1.48 0.10 0.00 0.01 0.00 0.00 72.50 71.23 1nik s THR 189 CO 0.17 -0.34 0.09 -0.62 -0.69 0.00 0.00 174.62 173.23 1nik s ASP 190 N -2.88 4.09 0.63 3.53 -1.08 -1.26 -5.09 116.67 114.62 1nik s ASP 190 Ca 0.09 -1.67 -0.18 0.00 -0.52 0.00 0.00 52.55 50.26 1nik s ASP 190 Cb 0.02 -0.96 -0.02 0.00 -1.46 0.00 0.00 42.92 40.50 1nik s ASP 190 CO -0.06 -0.41 1.18 -1.22 0.52 0.00 0.00 175.17 175.18 1nik n TYR 191 N 4.78 1.55 -3.38 -5.34 4.02 -1.26 -4.99 117.16 112.54 1nik n TYR 191 Ca -0.02 0.43 -0.38 0.00 -0.01 0.00 0.00 57.90 57.92 1nik n TYR 191 Cb 0.42 -2.23 -0.08 0.00 -0.02 0.00 0.00 39.34 37.44 1nik n TYR 191 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1nik s TRP 192 N -1.43 3.36 0.32 -0.72 -0.00 -1.26 -5.02 118.94 114.19 1nik s TRP 192 Ca 0.80 0.59 0.03 0.00 -0.00 0.00 0.00 56.10 57.52 1nik s TRP 192 Cb -0.39 -2.54 -0.05 0.00 -0.00 0.00 0.00 33.47 30.49 1nik s TRP 192 CO 0.43 -0.04 0.09 1.52 -0.00 0.00 0.00 176.95 178.94 1nik s TYR 193 N 1.43 1.79 0.00 5.86 -0.85 -1.26 -4.87 117.35 119.44 1nik s TYR 193 Ca 0.19 -1.10 0.00 0.00 -0.52 0.00 0.00 57.07 55.64 1nik s TYR 193 Cb -0.15 -1.13 0.00 0.00 0.38 0.00 0.00 41.96 41.07 1nik s TYR 193 CO 0.08 -0.17 0.00 0.39 -1.52 0.00 0.00 175.55 174.33 1nik n GLU 194 N -0.65 1.21 0.16 -3.49 1.02 -1.26 -5.00 120.64 112.64 1nik n GLU 194 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1nik n GLU 194 Cb 0.66 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1nik n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nik n GLN 195 N -1.43 0.00 -3.94 3.49 6.02 -1.26 -5.09 117.38 115.17 1nik n GLN 195 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1nik n GLN 195 Cb 0.08 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.19 1nik n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nik s ASP 196 N -1.66 3.81 0.21 1.08 -1.08 -1.26 -4.96 116.67 112.81 1nik s ASP 196 Ca 0.00 -1.15 0.17 0.00 -0.52 0.00 0.00 52.55 51.04 1nik s ASP 196 Cb 0.00 -1.18 0.82 0.00 -1.46 0.00 0.00 42.92 41.11 1nik s ASP 196 CO 0.00 -0.23 1.51 -1.54 0.52 0.00 0.00 175.17 175.43 1nik n SER 197 N 4.68 0.41 0.04 -0.34 3.41 -1.26 -1.47 113.62 119.09 1nik n SER 197 Ca -0.12 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.14 1nik n SER 197 Cb 0.44 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1nik n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nik h ALA 198 N 2.10 0.66 0.00 7.33 0.00 -1.93 -3.00 119.26 124.42 1nik h ALA 198 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 1nik h ALA 198 Cb 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nik h ALA 198 CO 0.00 0.98 -1.47 1.63 0.00 0.00 0.00 179.25 180.40 1nik n LYS 199 N -2.97 0.63 0.01 0.00 5.02 -0.54 -4.33 118.16 115.97 1nik n LYS 199 Ca -0.09 0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 1nik n LYS 199 Cb 0.86 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 1nik n LYS 199 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nik h GLU 200 N 0.00 0.22 -5.95 1.97 5.08 -1.47 -3.46 114.58 110.96 1nik h GLU 200 Ca -0.09 -0.37 -0.57 0.00 -1.00 0.00 0.00 59.36 57.33 1nik h GLU 200 Cb 1.27 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 1nik h GLU 200 CO 0.02 1.07 -0.00 -1.58 -1.00 0.00 0.00 179.01 177.52 1nik s TRP 201 N -2.57 3.58 1.31 4.33 0.52 -1.13 -5.06 118.94 119.92 1nik s TRP 201 Ca -0.18 1.13 -0.20 0.00 0.02 0.00 0.00 56.10 56.87 1nik s TRP 201 Cb 0.07 -2.69 0.32 0.00 -1.15 0.00 0.00 33.47 30.01 1nik s TRP 201 CO 0.79 0.16 0.71 -2.30 0.02 0.00 0.00 176.95 176.34 1nik n PRO 202 N 3.54 -4.00 -3.95 4.98 -0.02 -1.26 -4.81 135.00 129.48 1nik n PRO 202 Ca -0.04 -1.19 -0.29 0.00 -2.02 0.00 0.00 63.50 59.96 1nik n PRO 202 Cb 0.51 -1.77 -0.16 0.00 -0.02 0.00 0.00 33.50 32.06 1nik n PRO 202 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1nik s GLN 203 N -4.53 1.78 0.45 -0.52 0.74 -1.26 -5.08 119.66 111.25 1nik s GLN 203 Ca 0.56 -0.62 -0.23 0.00 0.05 0.00 0.00 55.36 55.12 1nik s GLN 203 Cb -0.10 -2.14 -0.07 0.00 1.10 0.00 0.00 33.01 31.80 1nik s GLN 203 CO 0.48 -0.39 1.18 -1.54 -0.55 0.00 0.00 175.29 174.47 1nik s SER 204 N 1.53 6.17 0.28 6.67 1.04 -1.26 -4.91 113.70 123.23 1nik s SER 204 Ca 0.01 2.35 0.02 0.00 0.48 0.00 0.00 55.95 58.81 1nik s SER 204 Cb -0.15 -2.61 0.65 0.00 0.10 0.00 0.00 66.02 64.01 1nik s SER 204 CO -0.08 -0.92 1.74 0.50 0.98 0.00 0.00 173.24 175.46 1nik h LYS 205 N 2.12 0.54 0.00 4.02 3.64 -2.00 0.91 116.57 125.79 1nik h LYS 205 Ca -0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1nik h LYS 205 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1nik h LYS 205 CO 0.60 0.36 0.29 0.09 -2.27 0.00 0.00 179.45 178.52 1nik n ASN 206 N -4.92 0.33 -0.14 4.20 3.02 -1.26 -1.45 115.26 115.04 1nik n ASN 206 Ca 0.20 0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 55.19 1nik n ASN 206 Cb 0.55 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1nik n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nik h GLU 208 N 0.65 0.00 -0.79 0.00 4.81 -1.43 0.41 114.58 118.23 1nik h GLU 208 Ca 0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1nik h GLU 208 Cb 0.69 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1nik h GLU 208 CO 0.05 0.00 0.04 0.66 -0.73 0.00 0.00 179.01 179.03 1nik n TYR 209 N -4.13 1.22 -3.60 0.92 4.02 -1.03 -4.89 117.16 109.68 1nik n TYR 209 Ca 0.22 -0.49 -0.15 0.00 -0.01 0.00 0.00 57.90 57.48 1nik n TYR 209 Cb 1.14 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 40.04 1nik n TYR 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1nik s GLU 210 N -1.97 0.97 0.25 -0.72 2.12 0.14 -5.13 118.70 114.36 1nik s GLU 210 Ca 0.31 -0.12 -0.24 0.00 0.36 0.00 0.00 54.97 55.28 1nik s GLU 210 Cb 0.24 0.44 -0.09 0.00 0.26 0.00 0.00 34.13 34.98 1nik s GLU 210 CO 0.09 -0.32 0.84 -0.51 -0.54 0.00 0.00 175.26 174.81 1nik s ASP 211 N -1.67 7.31 0.79 -1.70 1.01 -1.26 -4.92 116.67 116.23 1nik s ASP 211 Ca -0.08 1.68 -0.03 0.00 0.71 0.00 0.00 52.55 54.83 1nik s ASP 211 Cb -0.01 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1nik s ASP 211 CO 0.02 0.06 0.11 -2.65 0.21 0.00 0.00 175.17 172.92 1nik n PRO 212 N 0.97 -1.19 0.00 8.23 -0.02 -1.26 -4.97 135.00 136.76 1nik n PRO 212 Ca -0.02 -0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.40 1nik n PRO 212 Cb 0.50 -0.29 0.21 0.00 -0.02 0.00 0.00 33.50 33.90 1nik n PRO 212 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nik n PRO 213 N -1.74 0.03 -2.79 0.52 -0.04 -1.26 -5.05 135.00 124.68 1nik n PRO 213 Ca 0.02 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1nik n PRO 213 Cb 0.07 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1nik n PRO 213 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nik n ASN 214 N -1.47 -7.90 0.00 3.54 3.02 -1.26 -4.58 115.26 106.61 1nik n ASN 214 Ca 0.06 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 1nik n ASN 214 Cb 0.34 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.49 1nik n ASN 214 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nik n GLU 215 N 0.61 0.00 0.00 3.52 1.02 -1.26 -0.76 120.64 123.77 1nik n GLU 215 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1nik n GLU 215 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1nik n GLU 215 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nik n GLY 216 N 0.00 -0.00 3.75 0.62 0.00 -1.26 -4.80 105.19 103.50 1nik n GLY 216 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1nik n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nik s ASP 217 N -2.00 6.94 1.26 1.61 1.01 0.06 -5.00 116.67 120.55 1nik s ASP 217 Ca 0.00 2.45 -0.14 0.00 0.71 0.00 0.00 52.55 55.57 1nik s ASP 217 Cb 0.00 -2.62 0.21 0.00 1.01 0.00 0.00 42.92 41.52 1nik s ASP 217 CO 0.00 -0.44 0.48 -2.65 0.21 0.00 0.00 175.17 172.77 1nik n PRO 218 N 1.81 -3.55 -3.15 8.23 -0.02 -1.26 -4.93 135.00 132.12 1nik n PRO 218 Ca 0.03 -0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 60.30 1nik n PRO 218 Cb 0.43 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.78 1nik n PRO 218 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1nik s PHE 219 N -1.61 3.40 -0.95 6.00 5.36 -1.26 -4.97 117.98 123.94 1nik s PHE 219 Ca 0.37 0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 57.02 1nik s PHE 219 Cb -0.07 -2.76 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1nik s PHE 219 CO 0.31 -0.12 1.75 0.34 -1.46 0.00 0.00 175.22 176.05 1nik s ASP 220 N 1.12 5.68 0.00 6.13 -1.08 -1.26 -4.80 116.67 122.46 1nik s ASP 220 Ca 0.28 -0.99 0.29 0.00 -0.52 0.00 0.00 52.55 51.61 1nik s ASP 220 Cb -0.16 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 40.04 1nik s ASP 220 CO 0.11 -2.26 1.95 0.00 0.52 0.00 0.00 175.17 175.49 1nik n TYR 221 N 11.97 0.00 -0.03 -5.34 0.18 -1.26 -3.85 117.16 118.83 1nik n TYR 221 Ca 0.37 0.00 0.05 0.00 1.88 0.00 0.00 57.90 60.21 1nik n TYR 221 Cb 0.48 -0.44 -0.15 0.00 -0.38 0.00 0.00 39.34 38.85 1nik n TYR 221 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1nik n LYS 222 N -1.44 0.70 -1.80 -3.48 5.02 -1.26 -5.00 118.16 110.90 1nik n LYS 222 Ca 0.09 -0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 1nik n LYS 222 Cb 0.32 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1nik n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nik s ALA 223 N -3.15 3.23 0.40 7.82 0.00 -1.25 -5.04 121.76 123.78 1nik s ALA 223 Ca -0.08 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1nik s ALA 223 Cb 0.11 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1nik s ALA 223 CO 0.82 -1.19 0.01 1.04 0.00 0.00 0.00 175.76 176.43 1nik n GLN 224 N -0.20 0.98 -2.74 0.00 6.02 -1.26 -5.04 117.38 115.14 1nik n GLN 224 Ca 0.05 -2.98 -0.43 0.00 -0.01 0.00 0.00 57.00 53.64 1nik n GLN 224 Cb 0.42 0.86 -0.03 0.00 1.02 0.00 0.00 30.24 32.51 1nik n GLN 224 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nik s ALA 225 N -2.72 3.20 0.28 -1.58 0.00 -1.26 -5.02 121.76 114.67 1nik s ALA 225 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.40 1nik s ALA 225 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1nik s ALA 225 CO 0.01 -2.14 -0.10 -0.51 0.00 0.00 0.00 175.76 173.02 1nik s ASP 226 N 2.35 4.01 0.21 0.00 1.01 -1.26 -4.12 116.67 118.87 1nik s ASP 226 Ca 0.41 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.79 1nik s ASP 226 Cb -0.09 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.31 1nik s ASP 226 CO 0.29 -0.01 0.00 0.41 0.21 0.00 0.00 175.17 176.07 1nik n THR 227 N -0.76-11.51 -4.15 -1.27 -1.04 -1.25 -4.74 114.28 89.55 1nik n THR 227 Ca -0.05 3.02 -0.18 0.00 -2.04 0.00 0.00 64.05 64.80 1nik n THR 227 Cb 0.60 -4.94 -0.15 0.00 -1.82 0.00 0.00 70.33 64.02 1nik n THR 227 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1nik s PHE 228 N -0.67 0.57 -0.79 -1.42 0.40 0.19 -4.50 117.98 111.76 1nik s PHE 228 Ca 0.00 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1nik s PHE 228 Cb 0.00 -0.45 0.21 0.00 0.51 0.00 0.00 43.02 43.29 1nik s PHE 228 CO 0.00 -0.08 0.70 0.71 0.70 0.00 0.00 175.22 177.25 1nik s TYR 229 N 0.35 3.69 0.55 0.36 1.51 -0.19 -1.74 117.35 121.88 1nik s TYR 229 Ca -0.04 -2.16 0.08 0.00 -1.01 0.00 0.00 57.07 53.94 1nik s TYR 229 Cb -0.08 -3.68 0.07 0.00 -0.11 0.00 0.00 41.96 38.15 1nik s TYR 229 CO -0.00 -0.96 0.66 -1.64 -1.11 0.00 0.00 175.55 172.50 1nik s MET 230 N 0.09 2.33 -0.30 -0.62 -1.94 -1.01 -3.00 119.30 114.86 1nik s MET 230 Ca 0.18 -1.72 -0.13 0.00 -1.71 0.00 0.00 55.69 52.30 1nik s MET 230 Cb -0.12 -2.49 0.13 0.00 2.01 0.00 0.00 34.83 34.36 1nik s MET 230 CO -0.08 -0.74 0.80 1.21 -0.01 0.00 0.00 175.02 176.20 1nik s ASN 231 N -4.52 -0.86 -0.24 3.03 2.47 -1.22 -1.13 114.94 112.47 1nik s ASN 231 Ca 0.53 1.24 -0.08 0.00 0.42 0.00 0.00 52.86 54.96 1nik s ASN 231 Cb -0.05 1.81 -0.04 0.00 -1.45 0.00 0.00 41.25 41.52 1nik s ASN 231 CO 0.33 -0.18 0.10 -0.69 -3.72 0.00 0.00 177.10 172.95 1nik s VAL 232 N 2.34 4.69 0.47 -5.21 1.01 -1.23 -1.90 120.40 120.56 1nik s VAL 232 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1nik s VAL 232 Cb -0.08 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1nik s VAL 232 CO -0.18 0.34 0.78 -0.70 0.00 0.00 0.00 175.10 175.34 1nik s GLU 233 N 1.39 3.58 -0.04 2.72 2.12 -0.60 -2.59 118.70 125.28 1nik s GLU 233 Ca 0.06 0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.61 1nik s GLU 233 Cb -0.15 -2.38 0.03 0.00 0.26 0.00 0.00 34.13 31.90 1nik s GLU 233 CO 0.05 -0.18 0.07 0.45 -0.54 0.00 0.00 175.26 175.11 1nik s SER 234 N -3.96 0.62 0.32 -1.70 0.15 -0.31 -4.36 113.70 104.46 1nik s SER 234 Ca 0.48 0.12 0.06 0.00 0.70 0.00 0.00 55.95 57.32 1nik s SER 234 Cb -0.10 -0.03 0.74 0.00 -1.71 0.00 0.00 66.02 64.92 1nik s SER 234 CO 0.43 -0.20 1.82 0.58 1.20 0.00 0.00 173.24 177.07 1nik h VAL 235 N 6.35 0.79 0.00 4.45 2.07 -1.21 -3.46 116.25 125.24 1nik h VAL 235 Ca -0.26 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1nik h VAL 235 Cb 1.12 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1nik h VAL 235 CO 0.28 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1nik n GLY 236 N -1.38 1.78 0.28 2.17 0.00 -1.26 -4.92 105.19 101.86 1nik n GLY 236 Ca 0.21 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.41 1nik n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nik h SER 237 N 0.00 0.00 -3.78 1.61 4.64 -1.87 -3.39 113.55 110.75 1nik h SER 237 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1nik h SER 237 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1nik h SER 237 CO 0.00 0.00 -0.74 -0.63 -0.87 0.00 0.00 176.83 174.59 1nik s ILE 238 N -3.93 0.22 0.39 0.95 1.01 -1.26 -1.22 121.20 117.36 1nik s ILE 238 Ca -0.04 -0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 1nik s ILE 238 Cb 0.10 -0.21 -0.09 0.00 0.01 0.00 0.00 42.46 42.28 1nik s ILE 238 CO 0.32 0.08 1.27 -2.84 0.00 0.00 0.00 174.94 173.77 1nik s PRO 239 N 0.08 4.06 0.26 2.79 0.02 -1.26 -4.79 135.00 136.16 1nik s PRO 239 Ca -0.00 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 1nik s PRO 239 Cb -0.03 -2.80 0.52 0.00 0.02 0.00 0.00 34.50 32.21 1nik s PRO 239 CO -0.00 -0.39 1.63 0.28 -0.33 0.00 0.00 177.00 178.18 1nik h VAL 240 N 2.53 0.28 -0.92 3.83 2.07 -1.84 0.80 116.25 123.00 1nik h VAL 240 Ca -0.49 -0.04 0.23 0.00 0.82 0.00 0.00 66.70 67.22 1nik h VAL 240 Cb 1.24 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 1nik h VAL 240 CO 0.63 0.02 0.44 -2.24 0.02 0.00 0.00 177.57 176.44 1nik h ASP 241 N 0.10 0.42 -0.27 0.57 2.03 -1.90 -1.93 116.42 115.44 1nik h ASP 241 Ca 0.46 0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 56.88 1nik h ASP 241 Cb 0.84 0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 1nik h ASP 241 CO -0.71 0.02 0.08 1.56 -1.03 0.00 0.00 179.24 179.16 1nik h GLN 242 N 0.44 0.43 -0.83 4.15 1.08 -1.19 -1.44 115.11 117.76 1nik h GLN 242 Ca 0.58 -0.10 0.18 0.00 -1.45 0.00 0.00 58.65 57.86 1nik h GLN 242 Cb 1.11 -0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 28.37 1nik h GLN 242 CO -0.52 0.51 0.34 0.28 -0.95 0.00 0.00 178.83 178.49 1nik h VAL 243 N 0.28 0.56 -0.28 -0.54 2.07 -1.25 1.33 116.25 118.42 1nik h VAL 243 Ca 0.09 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1nik h VAL 243 Cb 0.26 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1nik h VAL 243 CO -0.00 0.08 -0.02 0.58 0.02 0.00 0.00 177.57 178.23 1nik h VAL 244 N 0.42 1.26 0.12 2.57 2.07 -1.37 0.13 116.25 121.45 1nik h VAL 244 Ca 0.49 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nik h VAL 244 Cb 0.84 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1nik h VAL 244 CO -0.47 0.31 -0.06 0.58 0.02 0.00 0.00 177.57 177.95 1nik h VAL 245 N 0.29 0.00 -1.20 2.57 2.07 0.15 -1.33 116.25 118.80 1nik h VAL 245 Ca 0.08 -0.09 0.34 0.00 0.82 0.00 0.00 66.70 67.85 1nik h VAL 245 Cb 0.46 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1nik h VAL 245 CO 0.02 0.00 0.83 0.03 0.02 0.00 0.00 177.57 178.47 1nik h ARG 246 N -0.25 0.11 0.43 1.57 3.08 0.15 1.12 114.38 120.60 1nik h ARG 246 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1nik h ARG 246 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1nik h ARG 246 CO 0.03 0.08 -0.21 0.78 -1.07 0.00 0.00 179.97 179.58 1nik h GLY 247 N 0.12 -0.60 -0.23 0.04 0.00 -0.69 0.20 103.07 101.90 1nik h GLY 247 Ca 0.61 0.22 0.26 0.00 0.00 0.00 0.00 47.33 48.42 1nik h GLY 247 CO -0.12 -0.22 0.56 -2.22 0.00 0.00 0.00 176.54 174.54 1nik h ILE 248 N -0.61 0.48 0.27 2.60 2.04 0.17 -1.04 117.51 121.41 1nik h ILE 248 Ca -0.06 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nik h ILE 248 Cb 0.44 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1nik h ILE 248 CO 0.10 0.09 -0.13 -0.78 0.00 0.00 0.00 178.15 177.43 1nik h ASP 249 N 0.50 -0.31 -0.87 1.72 1.82 0.12 -2.14 116.42 117.26 1nik h ASP 249 Ca 0.65 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 57.41 1nik h ASP 249 Cb 1.29 0.08 -0.13 0.00 0.68 0.00 0.00 39.33 41.25 1nik h ASP 249 CO -0.51 -0.21 -0.50 0.74 -1.61 0.00 0.00 179.24 177.15 1nik h THR 250 N -0.38 0.02 -0.75 2.25 2.02 0.24 0.70 112.91 117.01 1nik h THR 250 Ca -0.04 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.31 1nik h THR 250 Cb 0.28 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.59 1nik h THR 250 CO 0.06 0.00 0.16 0.25 0.37 0.00 0.00 175.52 176.36 1nik h LEU 251 N -0.08 -0.04 -1.27 2.58 5.85 -1.27 0.34 115.31 121.42 1nik h LEU 251 Ca 0.21 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 1nik h LEU 251 Cb 0.51 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1nik h LEU 251 CO -0.88 -0.07 0.43 -0.61 -0.34 0.00 0.00 178.44 176.97 1nik h GLN 252 N 0.24 0.92 -0.11 1.25 4.15 0.99 -1.23 115.11 121.32 1nik h GLN 252 Ca 0.42 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.69 1nik h GLN 252 Cb 0.74 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1nik h GLN 252 CO -0.54 0.64 -0.25 0.87 -1.93 0.00 0.00 178.83 177.61 1nik h LYS 253 N 0.94 0.37 -0.48 1.69 1.57 0.16 -1.82 116.57 119.01 1nik h LYS 253 Ca 0.25 -0.25 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1nik h LYS 253 Cb -0.06 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.19 1nik h LYS 253 CO -0.05 0.85 -0.19 0.87 -0.57 0.00 0.00 179.45 180.36 1nik h LYS 254 N -0.06 -0.08 -0.17 3.15 1.57 0.09 -0.10 116.57 120.97 1nik h LYS 254 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1nik h LYS 254 Cb 0.85 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1nik h LYS 254 CO 0.06 -0.06 -0.05 0.28 -0.57 0.00 0.00 179.45 179.11 1nik h VAL 255 N -0.09 0.81 -0.98 0.50 2.07 -1.18 -2.62 116.25 114.76 1nik h VAL 255 Ca 0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.86 1nik h VAL 255 Cb 0.44 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1nik h VAL 255 CO -0.54 0.00 0.62 0.00 0.02 0.00 0.00 177.57 177.67 1nik h ALA 256 N 1.15 1.55 0.00 1.67 0.00 -0.27 -1.90 119.26 121.47 1nik h ALA 256 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nik h ALA 256 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nik h ALA 256 CO -0.18 0.22 -0.00 0.66 0.00 0.00 0.00 179.25 179.95 1nik h SER 257 N 0.98 0.00 0.49 0.00 4.64 -0.68 0.46 113.55 119.43 1nik h SER 257 Ca 0.47 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.49 1nik h SER 257 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1nik h SER 257 CO -0.23 0.00 -1.50 0.40 -0.87 0.00 0.00 176.83 174.64 1nik h ILE 258 N 0.00 1.19 -0.07 0.95 5.03 -1.37 -1.71 117.51 121.53 1nik h ILE 258 Ca -0.00 -2.84 -0.01 0.00 -0.12 0.00 0.00 64.86 61.90 1nik h ILE 258 Cb 0.20 2.76 -0.00 0.00 -3.03 0.00 0.00 36.82 36.74 1nik h ILE 258 CO 0.00 0.82 0.01 0.25 -0.68 0.00 0.00 178.15 178.55 1nik h LEU 259 N 0.06 0.11 -2.27 1.44 5.85 -0.91 -0.83 115.31 118.77 1nik h LEU 259 Ca -0.23 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1nik h LEU 259 Cb 2.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 1nik h LEU 259 CO 0.16 0.34 0.01 0.25 -0.34 0.00 0.00 178.44 178.86 1nik h LEU 260 N -0.12 0.00 0.60 2.25 5.85 -0.22 -2.80 115.31 120.87 1nik h LEU 260 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1nik h LEU 260 Cb 0.28 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.31 1nik h LEU 260 CO 0.00 0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.81 1nik h ALA 261 N 1.99 -1.06 -0.87 1.25 0.00 -0.20 -2.59 119.26 117.78 1nik h ALA 261 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1nik h ALA 261 Cb 0.02 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 17.96 1nik h ALA 261 CO -0.00 -1.00 -0.24 -0.07 0.00 0.00 0.00 179.25 177.94 1nik h LEU 262 N -0.92 -0.89 -0.21 0.00 3.38 -1.11 -0.93 115.31 114.62 1nik h LEU 262 Ca -0.08 0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1nik h LEU 262 Cb 0.62 0.57 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1nik h LEU 262 CO 0.14 -0.29 -0.41 0.74 0.09 0.00 0.00 178.44 178.70 1nik h THR 263 N -0.01 0.00 0.00 0.22 2.02 -1.45 0.60 112.91 114.29 1nik h THR 263 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1nik h THR 263 Cb 0.63 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1nik h THR 263 CO -0.90 0.00 0.00 0.00 0.37 0.00 0.00 175.52 174.99 1nik n GLN 264 N -4.70 0.12 -0.00 6.66 6.02 -0.41 -0.02 117.38 125.04 1nik n GLN 264 Ca -0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 1nik n GLN 264 Cb 0.27 -1.42 -0.09 0.00 1.02 0.00 0.00 30.24 30.02 1nik n GLN 264 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1nik n MET 265 N -0.92 1.16 -0.06 -1.09 1.56 0.19 -4.32 117.12 113.65 1nik n MET 265 Ca 0.02 -0.08 0.10 0.00 -0.27 0.00 0.00 57.70 57.48 1nik n MET 265 Cb 0.01 -1.24 0.42 0.00 2.15 0.00 0.00 33.22 34.56 1nik n MET 265 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1nik n ASP 266 N -1.75 1.28 0.07 6.12 8.00 0.97 -3.88 116.55 127.37 1nik n ASP 266 Ca -0.01 -1.63 -0.13 0.00 0.71 0.00 0.00 54.79 53.73 1nik n ASP 266 Cb 0.29 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1nik n ASP 266 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1nik h GLN 267 N 1.72 0.37 0.00 -1.24 1.08 -1.75 -3.51 115.11 111.79 1nik h GLN 267 Ca 0.00 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1nik h GLN 267 Cb 0.38 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1nik h GLN 267 CO 0.00 1.10 0.00 -0.25 -0.95 0.00 0.00 178.83 178.73