#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3maj s THR 12 N 0.00 5.23 -0.06 2.61 2.01 -1.26 -4.94 115.64 119.23 3maj s THR 12 Ca 0.00 0.74 0.05 0.00 0.31 0.00 0.00 61.69 62.79 3maj s THR 12 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3maj s THR 12 CO 0.00 0.38 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.20 3maj s THR 13 N 0.38 1.87 -0.00 -0.82 2.01 -1.26 -2.12 115.64 115.70 3maj s THR 13 Ca 0.21 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3maj s THR 13 Cb -0.14 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3maj s THR 13 CO 0.07 0.52 0.01 0.52 -0.69 0.00 0.00 174.62 175.05 3maj n VAL 14 N 3.10 0.01 -4.78 3.82 0.31 -1.26 -5.02 118.33 114.51 3maj n VAL 14 Ca -0.18 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 63.82 3maj n VAL 14 Cb 0.52 -0.05 -0.13 0.00 -0.91 0.00 0.00 33.84 33.27 3maj n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3maj s LEU 15 N -3.40 2.77 1.03 7.52 1.43 -1.26 -5.11 118.68 121.66 3maj s LEU 15 Ca -0.00 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3maj s LEU 15 Cb 0.00 -1.59 0.20 0.00 0.03 0.00 0.00 46.19 44.84 3maj s LEU 15 CO 0.02 0.32 1.10 0.42 0.23 0.00 0.00 176.35 178.43 3maj s THR 16 N -0.81 1.96 0.22 5.49 -4.23 -1.26 -4.80 115.64 112.20 3maj s THR 16 Ca 0.13 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.57 3maj s THR 16 Cb -0.11 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.36 3maj s THR 16 CO 0.03 0.00 1.73 1.05 -0.54 0.00 0.00 174.62 176.89 3maj h GLU 17 N -2.00 1.06 -0.81 3.99 9.09 -2.00 -1.75 114.58 122.17 3maj h GLU 17 Ca -0.54 -0.26 0.02 0.00 0.05 0.00 0.00 59.36 58.63 3maj h GLU 17 Cb 1.33 -0.14 -0.04 0.00 -1.65 0.00 0.00 28.75 28.25 3maj h GLU 17 CO 0.56 0.95 0.52 0.00 0.05 0.00 0.00 179.01 181.09 3maj h ALA 18 N 1.14 1.04 -0.40 1.06 0.00 -2.00 -1.84 119.26 118.26 3maj h ALA 18 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3maj h ALA 18 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3maj h ALA 18 CO 0.00 0.38 0.07 1.96 0.00 0.00 0.00 179.25 181.67 3maj h GLN 19 N 1.05 0.65 -0.85 0.00 4.20 -1.84 -2.00 115.11 116.32 3maj h GLN 19 Ca 0.31 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3maj h GLN 19 Cb -0.06 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3maj h GLN 19 CO -0.09 0.69 0.53 -0.09 -0.67 0.00 0.00 178.83 179.20 3maj h ARG 20 N 0.50 1.14 -0.08 1.46 2.43 -1.15 0.26 114.38 118.95 3maj h ARG 20 Ca 0.12 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3maj h ARG 20 Cb 0.35 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3maj h ARG 20 CO 0.01 0.79 -0.03 0.82 -1.51 0.00 0.00 179.97 180.04 3maj h ILE 21 N 1.16 0.91 -0.88 1.20 2.04 -1.27 -2.75 117.51 117.92 3maj h ILE 21 Ca 0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 3maj h ILE 21 Cb -0.08 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3maj h ILE 21 CO -0.06 0.00 0.46 0.44 0.00 0.00 0.00 178.15 178.99 3maj h ASP 22 N -0.01 1.11 0.00 1.72 3.32 -0.81 0.00 116.42 121.76 3maj h ASP 22 Ca 0.04 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3maj h ASP 22 Cb 0.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3maj h ASP 22 CO -0.09 0.91 0.00 0.79 -1.72 0.00 0.00 179.24 179.14 3maj n TRP 23 N -4.32 0.00 0.00 4.55 7.02 0.85 -1.40 117.44 124.15 3maj n TRP 23 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 3maj n TRP 23 Cb 0.12 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 3maj n TRP 23 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3maj n ARG 25 N 0.63 0.00 -0.03 -0.99 1.74 -0.01 -1.71 116.66 116.28 3maj n ARG 25 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3maj n ARG 25 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 3maj n ARG 25 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3maj h LEU 26 N 0.00 0.28 -1.69 0.55 5.85 -1.49 -2.42 115.31 116.38 3maj h LEU 26 Ca 0.00 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 3maj h LEU 26 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3maj h LEU 26 CO 0.00 0.90 -0.18 -0.29 -0.34 0.00 0.00 178.44 178.53 3maj h ILE 27 N -0.33 0.75 -0.00 4.05 6.09 -1.60 -2.17 117.51 124.30 3maj h ILE 27 Ca -0.02 -0.72 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 3maj h ILE 27 Cb 0.89 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3maj h ILE 27 CO 0.05 0.18 -0.31 0.54 -3.07 0.00 0.00 178.15 175.53 3maj n ARG 28 N -3.77 0.56 -2.02 2.19 5.12 -1.21 -4.76 116.66 112.77 3maj n ARG 28 Ca -0.02 -0.31 -0.39 0.00 -1.93 0.00 0.00 57.85 55.20 3maj n ARG 28 Cb 0.29 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 3maj n ARG 28 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3maj s ALA 29 N -2.66 3.12 0.24 7.54 0.00 -0.82 -4.76 121.76 124.43 3maj s ALA 29 Ca 0.21 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3maj s ALA 29 Cb 0.19 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 3maj s ALA 29 CO 0.57 -0.92 1.39 -1.91 0.00 0.00 0.00 175.76 174.89 3maj n GLU 30 N -0.22 2.01 -1.17 0.00 2.13 -0.15 -2.26 120.64 120.97 3maj n GLU 30 Ca 0.06 0.72 -0.06 0.00 0.66 0.00 0.00 57.16 58.53 3maj n GLU 30 Cb 0.45 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 3maj n GLU 30 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3maj n ASN 31 N 2.06 -4.79 -4.21 4.31 3.02 -1.26 -4.79 115.26 109.60 3maj n ASN 31 Ca 0.11 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.45 3maj n ASN 31 Cb 0.32 -2.82 -0.13 0.00 -0.61 0.00 0.00 39.78 36.54 3maj n ASN 31 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3maj s VAL 32 N -1.86 3.25 0.29 2.41 1.01 -0.96 -4.95 120.40 119.58 3maj s VAL 32 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.73 3maj s VAL 32 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3maj s VAL 32 CO 0.00 -0.12 0.30 0.61 0.00 0.00 0.00 175.10 175.89 3maj n GLY 33 N 4.69 2.47 0.36 4.51 0.00 -1.26 -4.69 105.19 111.27 3maj n GLY 33 Ca -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 3maj n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3maj h PRO 34 N 0.00 1.25 -0.38 1.61 0.11 -1.88 0.03 132.00 132.74 3maj h PRO 34 Ca -0.16 -0.12 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3maj h PRO 34 Cb 0.65 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3maj h PRO 34 CO 0.24 0.88 -0.35 0.00 -0.21 0.00 0.00 178.00 178.56 3maj h ARG 35 N 1.26 0.88 -0.26 1.05 3.08 -1.88 -2.18 114.38 116.34 3maj h ARG 35 Ca 0.33 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3maj h ARG 35 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3maj h ARG 35 CO -0.06 1.08 0.17 1.15 -1.07 0.00 0.00 179.97 181.25 3maj h THR 36 N 0.73 1.06 -0.16 2.04 2.02 -1.85 -2.28 112.91 114.47 3maj h THR 36 Ca 0.07 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3maj h THR 36 Cb 0.92 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3maj h THR 36 CO 0.09 0.06 -0.08 0.15 0.37 0.00 0.00 175.52 176.11 3maj h PHE 37 N 0.35 -0.18 -0.35 3.16 3.57 -0.93 0.91 116.94 123.47 3maj h PHE 37 Ca 0.10 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3maj h PHE 37 Cb -0.04 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 3maj h PHE 37 CO -0.06 -0.12 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.69 3maj h ARG 38 N -0.06 -0.03 -0.50 1.11 2.43 -1.30 -1.58 114.38 114.45 3maj h ARG 38 Ca 0.09 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3maj h ARG 38 Cb 0.19 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3maj h ARG 38 CO -0.20 -0.02 -0.11 0.77 -1.51 0.00 0.00 179.97 178.90 3maj h SER 39 N -0.04 0.92 -0.71 -3.80 0.02 -0.95 0.33 113.55 109.33 3maj h SER 39 Ca 0.17 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3maj h SER 39 Cb 0.30 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3maj h SER 39 CO -0.38 1.04 0.38 -0.07 -1.14 0.00 0.00 176.83 176.65 3maj h LEU 40 N 0.83 0.89 -0.24 5.07 3.38 -0.42 0.80 115.31 125.62 3maj h LEU 40 Ca 0.13 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3maj h LEU 40 Cb 0.64 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3maj h LEU 40 CO 0.04 0.74 -0.34 0.40 0.09 0.00 0.00 178.44 179.38 3maj h ILE 41 N 0.98 1.32 -0.66 1.22 1.08 -1.04 0.16 117.51 120.56 3maj h ILE 41 Ca 0.25 -1.54 0.12 0.00 -0.39 0.00 0.00 64.86 63.30 3maj h ILE 41 Cb 0.06 1.74 -0.09 0.00 -3.07 0.00 0.00 36.82 35.46 3maj h ILE 41 CO -0.04 0.48 0.22 0.78 -0.69 0.00 0.00 178.15 178.90 3maj h ASN 42 N 0.35 0.17 0.11 1.72 2.35 -0.59 -0.86 115.58 118.84 3maj h ASN 42 Ca 0.03 0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 3maj h ASN 42 Cb 0.92 0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.41 3maj h ASN 42 CO 0.08 0.08 -0.73 -0.74 -1.65 0.00 0.00 177.43 174.47 3maj h HIS 43 N 0.37 0.43 -0.00 1.19 2.76 -0.74 -3.39 115.15 115.77 3maj h HIS 43 Ca 0.35 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3maj h HIS 43 Cb 0.50 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3maj h HIS 43 CO -0.20 1.28 -0.85 1.19 -1.30 0.00 0.00 177.93 178.05 3maj n PHE 44 N -4.20 0.00 0.00 5.26 3.01 0.55 -4.99 117.46 117.09 3maj n PHE 44 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3maj n PHE 44 Cb 0.77 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 3maj n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3maj n GLY 45 N 1.48 2.72 3.44 1.37 0.00 -0.33 -4.76 105.19 109.10 3maj n GLY 45 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3maj n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3maj s SER 46 N -1.90 -0.55 0.20 1.61 1.04 -1.26 -5.00 113.70 107.83 3maj s SER 46 Ca 0.00 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.41 3maj s SER 46 Cb 0.00 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.82 3maj s SER 46 CO 0.00 -0.91 1.57 0.00 0.98 0.00 0.00 173.24 174.88 3maj h ALA 47 N 2.05 0.78 -0.42 5.32 0.00 -1.93 -2.06 119.26 123.00 3maj h ALA 47 Ca -0.32 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.22 3maj h ALA 47 Cb 1.29 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3maj h ALA 47 CO 0.37 0.65 0.14 -0.09 0.00 0.00 0.00 179.25 180.33 3maj h ARG 48 N 0.61 0.30 -0.31 0.00 9.65 -1.94 0.17 114.38 122.86 3maj h ARG 48 Ca 0.06 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.81 3maj h ARG 48 Cb 0.88 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 3maj h ARG 48 CO 0.08 0.20 -0.28 0.00 2.80 0.00 0.00 179.97 182.76 3maj h ALA 49 N 1.28 0.93 -0.37 2.80 0.00 -1.85 -3.13 119.26 118.91 3maj h ALA 49 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3maj h ALA 49 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3maj h ALA 49 CO -0.20 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.73 3maj h ALA 50 N 1.15 0.49 -0.67 0.00 0.00 -0.77 -3.09 119.26 116.36 3maj h ALA 50 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3maj h ALA 50 Cb 0.76 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3maj h ALA 50 CO 0.06 0.18 0.44 -0.07 0.00 0.00 0.00 179.25 179.87 3maj h LEU 51 N 0.45 0.65 -1.02 0.00 3.38 -0.96 -1.20 115.31 116.62 3maj h LEU 51 Ca 0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3maj h LEU 51 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3maj h LEU 51 CO 0.00 0.43 0.01 -0.33 0.09 0.00 0.00 178.44 178.65 3maj h GLU 52 N 0.74 0.72 0.00 1.13 5.08 -1.49 -3.01 114.58 117.75 3maj h GLU 52 Ca 0.28 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3maj h GLU 52 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3maj h GLU 52 CO -0.08 0.72 -0.50 0.00 -1.00 0.00 0.00 179.01 178.14 3maj h ARG 53 N 0.68 0.00 -0.93 2.33 2.47 -1.23 -3.38 114.38 114.32 3maj h ARG 53 Ca 0.14 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.05 3maj h ARG 53 Cb 0.40 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.54 3maj h ARG 53 CO 0.01 0.23 -0.21 -0.07 0.56 0.00 0.00 179.97 180.49 3maj h LEU 54 N 0.00 -0.83 0.10 3.04 4.07 -1.20 0.12 115.31 120.60 3maj h LEU 54 Ca -0.02 0.28 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 3maj h LEU 54 Cb 1.22 0.57 0.00 0.00 1.08 0.00 0.00 40.66 43.53 3maj h LEU 54 CO 0.03 -0.31 -0.05 -0.65 -1.08 0.00 0.00 178.44 176.39 3maj h PRO 55 N 0.00 -0.12 -0.40 1.13 0.11 -1.77 -2.64 132.00 128.30 3maj h PRO 55 Ca 0.45 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 3maj h PRO 55 Cb 0.71 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3maj h PRO 55 CO -0.95 0.12 0.13 1.05 -0.21 0.00 0.00 178.00 178.14 3maj h GLU 56 N -0.36 0.58 0.04 1.05 4.11 -1.61 -2.37 114.58 116.02 3maj h GLU 56 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3maj h GLU 56 Cb 0.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3maj h GLU 56 CO 0.02 0.51 -0.06 -0.07 0.07 0.00 0.00 179.01 179.48 3maj h LEU 57 N 0.57 -0.16 -0.37 3.06 3.38 -0.78 -0.63 115.31 120.38 3maj h LEU 57 Ca 0.14 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3maj h LEU 57 Cb 0.17 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3maj h LEU 57 CO -0.01 -0.09 0.09 0.00 0.09 0.00 0.00 178.44 178.52 3maj h ALA 58 N 0.82 0.41 -0.14 1.53 0.00 -1.26 0.32 119.26 120.94 3maj h ALA 58 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3maj h ALA 58 Cb 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3maj h ALA 58 CO -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 179.25 178.95 3maj h ARG 59 N 0.22 0.21 0.00 0.00 3.08 -1.33 -2.16 114.38 114.41 3maj h ARG 59 Ca 0.18 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3maj h ARG 59 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3maj h ARG 59 CO -0.22 0.35 -0.23 0.00 -1.07 0.00 0.00 179.97 178.81 3maj h ARG 60 N 0.03 0.00 0.00 0.04 3.08 -1.01 -1.29 114.38 115.24 3maj h ARG 60 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3maj h ARG 60 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3maj h ARG 60 CO -0.00 0.23 -0.07 0.78 -1.07 0.00 0.00 179.97 179.83 3maj h GLY 61 N 0.80 0.00 0.00 0.04 0.00 -0.05 -3.47 103.07 100.39 3maj h GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3maj h GLY 61 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 3maj n GLY 62 N -0.38 1.32 3.83 4.60 0.00 -0.49 -5.06 105.19 109.00 3maj n GLY 62 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3maj n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maj s ALA 63 N -2.00 2.97 -0.01 4.61 0.00 -0.85 -5.01 121.76 121.47 3maj s ALA 63 Ca 0.00 0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 3maj s ALA 63 Cb 0.00 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.84 3maj s ALA 63 CO 0.00 -0.43 0.96 0.00 0.00 0.00 0.00 175.76 176.29 3maj h ALA 64 N 0.73 -0.72 -0.97 0.00 0.00 -1.94 -3.43 119.26 112.93 3maj h ALA 64 Ca -0.47 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 3maj h ALA 64 Cb 1.20 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 3maj h ALA 64 CO 0.60 -0.70 -0.53 0.50 0.00 0.00 0.00 179.25 179.13 3maj s ARG 65 N -4.19 2.12 0.29 0.00 3.52 -1.26 -5.03 118.95 114.41 3maj s ARG 65 Ca -0.12 -2.21 -0.29 0.00 -0.13 0.00 0.00 55.73 52.98 3maj s ARG 65 Cb 0.01 -1.67 -0.10 0.00 -1.56 0.00 0.00 34.95 31.63 3maj s ARG 65 CO 0.38 -0.25 1.42 0.00 -0.81 0.00 0.00 175.30 176.05 3maj s ALA 66 N -2.78 3.59 0.34 6.12 0.00 -1.26 -4.83 121.76 122.94 3maj s ALA 66 Ca 0.22 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 3maj s ALA 66 Cb 0.04 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3maj s ALA 66 CO 0.12 -0.77 1.03 0.20 0.00 0.00 0.00 175.76 176.34 3maj s GLY 67 N 0.06 2.86 0.19 0.00 0.00 -1.26 -5.00 107.32 104.17 3maj s GLY 67 Ca 0.56 0.71 -0.32 0.00 0.00 0.00 0.00 44.72 45.67 3maj s GLY 67 CO 0.49 1.19 1.66 -1.60 0.00 0.00 0.00 173.10 174.84 3maj s ARG 68 N -2.05 4.16 -0.15 2.90 3.52 -1.26 -4.87 118.95 121.20 3maj s ARG 68 Ca 0.52 2.51 -0.01 0.00 -0.13 0.00 0.00 55.73 58.62 3maj s ARG 68 Cb -0.24 -3.11 0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3maj s ARG 68 CO 0.30 -0.69 -0.03 0.42 -0.81 0.00 0.00 175.30 174.49 3maj s ILE 69 N 1.15 0.90 0.43 4.11 1.01 -1.26 -0.98 121.20 126.56 3maj s ILE 69 Ca 0.73 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.67 3maj s ILE 69 Cb -0.47 -1.10 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 3maj s ILE 69 CO 0.32 0.13 1.21 -2.65 0.00 0.00 0.00 174.94 173.95 3maj n PRO 70 N 4.95 1.77 -1.26 2.79 -0.02 -1.26 -4.98 135.00 136.99 3maj n PRO 70 Ca -0.11 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 3maj n PRO 70 Cb 0.48 -2.31 0.17 0.00 -0.02 0.00 0.00 33.50 31.82 3maj n PRO 70 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3maj s SER 71 N -0.61 2.78 0.18 2.55 1.04 -1.26 -4.88 113.70 113.50 3maj s SER 71 Ca 0.62 1.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.04 3maj s SER 71 Cb -0.51 -1.76 0.11 0.00 0.10 0.00 0.00 66.02 63.95 3maj s SER 71 CO 0.57 -3.02 1.83 -0.08 0.98 0.00 0.00 173.24 173.52 3maj h GLU 72 N -1.82 0.70 -0.70 4.02 4.81 -1.96 -2.54 114.58 117.09 3maj h GLU 72 Ca -0.54 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.61 3maj h GLU 72 Cb 1.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3maj h GLU 72 CO 0.59 0.46 0.29 0.22 -0.73 0.00 0.00 179.01 179.84 3maj h ASP 73 N 0.72 0.96 -0.38 1.04 3.58 -1.99 -0.50 116.42 119.85 3maj h ASP 73 Ca 0.22 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3maj h ASP 73 Cb -0.03 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 3maj h ASP 73 CO -0.07 0.86 0.10 -0.08 -2.88 0.00 0.00 179.24 177.17 3maj h GLU 74 N 0.99 0.61 -0.35 0.28 4.81 -1.91 -0.32 114.58 118.69 3maj h GLU 74 Ca 0.23 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3maj h GLU 74 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3maj h GLU 74 CO -0.02 0.63 0.21 0.00 -0.73 0.00 0.00 179.01 179.10 3maj h ALA 75 N 0.95 0.45 -0.47 2.92 0.00 -1.32 -1.33 119.26 120.45 3maj h ALA 75 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3maj h ALA 75 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3maj h ALA 75 CO -0.00 -0.05 0.29 -0.09 0.00 0.00 0.00 179.25 179.39 3maj h ARG 76 N 0.46 0.64 -0.72 0.00 2.43 -0.98 -1.75 114.38 114.45 3maj h ARG 76 Ca 0.13 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3maj h ARG 76 Cb 0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 3maj h ARG 76 CO -0.02 0.46 0.45 0.00 -1.51 0.00 0.00 179.97 179.35 3maj h ARG 77 N 0.63 0.85 -0.74 0.20 3.08 -0.86 0.53 114.38 118.07 3maj h ARG 77 Ca 0.17 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3maj h ARG 77 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3maj h ARG 77 CO -0.03 0.56 0.38 1.49 -1.07 0.00 0.00 179.97 181.30 3maj h GLU 78 N 0.88 1.05 -0.43 0.04 4.81 -0.98 0.37 114.58 120.33 3maj h GLU 78 Ca 0.29 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3maj h GLU 78 Cb 0.03 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3maj h GLU 78 CO -0.11 0.80 0.00 0.82 -0.73 0.00 0.00 179.01 179.79 3maj h ILE 79 N 1.03 1.26 -0.20 2.32 2.04 -0.91 -2.38 117.51 120.66 3maj h ILE 79 Ca 0.26 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3maj h ILE 79 Cb 0.08 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3maj h ILE 79 CO -0.04 0.35 0.10 -0.33 0.00 0.00 0.00 178.15 178.23 3maj h GLU 80 N 0.59 0.30 -0.73 2.37 5.08 -0.67 -2.39 114.58 119.14 3maj h GLU 80 Ca 0.12 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3maj h GLU 80 Cb 0.49 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3maj h GLU 80 CO 0.02 0.32 0.44 0.00 -1.00 0.00 0.00 179.01 178.80 3maj h ALA 81 N 0.96 0.97 -0.20 3.43 0.00 -0.21 -1.94 119.26 122.27 3maj h ALA 81 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3maj h ALA 81 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3maj h ALA 81 CO -0.01 0.18 0.13 0.78 0.00 0.00 0.00 179.25 180.34 3maj h GLY 82 N 0.84 0.28 0.58 0.00 0.00 -1.40 -2.89 103.07 100.48 3maj h GLY 82 Ca 0.31 -0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.65 3maj h GLY 82 CO -0.14 0.10 0.59 3.21 0.00 0.00 0.00 176.54 180.30 3maj h ARG 83 N 0.26 0.81 0.00 4.80 3.08 -1.06 0.88 114.38 123.15 3maj h ARG 83 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3maj h ARG 83 Cb -0.02 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3maj h ARG 83 CO -0.02 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 3maj h ARG 84 N 0.83 0.00 -0.11 0.04 3.08 -1.14 -1.83 114.38 115.26 3maj h ARG 84 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3maj h ARG 84 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3maj h ARG 84 CO -0.21 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.13 3maj n ILE 85 N -2.82 1.68 -0.47 2.04 -5.35 -0.74 -4.99 119.36 108.71 3maj n ILE 85 Ca -0.01 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 3maj n ILE 85 Cb 0.16 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 3maj n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3maj n GLY 86 N -0.75 0.74 3.70 3.28 0.00 -0.69 -5.06 105.19 106.42 3maj n GLY 86 Ca 0.13 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3maj n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maj s VAL 87 N -2.00 5.31 -0.14 1.61 1.01 0.23 -4.17 120.40 122.25 3maj s VAL 87 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 3maj s VAL 87 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3maj s VAL 87 CO 0.00 0.35 0.05 -1.61 0.00 0.00 0.00 175.10 173.89 3maj s GLU 88 N 0.81 3.54 -0.33 2.72 0.41 -0.40 -2.83 118.70 122.60 3maj s GLU 88 Ca 0.14 -0.33 -0.15 0.00 -0.41 0.00 0.00 54.97 54.21 3maj s GLU 88 Cb -0.13 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.15 3maj s GLU 88 CO 0.04 0.51 0.36 -0.51 -0.49 0.00 0.00 175.26 175.17 3maj s LEU 89 N -0.30 4.39 0.14 1.80 1.43 -1.26 -0.62 118.68 124.25 3maj s LEU 89 Ca 0.08 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 3maj s LEU 89 Cb -0.12 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3maj s LEU 89 CO 0.02 -0.32 -0.21 0.68 0.23 0.00 0.00 176.35 176.75 3maj s VAL 90 N 2.02 2.60 0.32 -1.59 -7.23 0.20 -4.89 120.40 111.83 3maj s VAL 90 Ca 0.12 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3maj s VAL 90 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3maj s VAL 90 CO 0.11 0.05 0.15 0.00 -0.31 0.00 0.00 175.10 175.11 3maj s ALA 91 N -1.24 3.52 0.31 1.32 0.00 -1.26 -0.64 121.76 123.78 3maj s ALA 91 Ca 0.18 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 3maj s ALA 91 Cb -0.10 -0.85 -0.13 0.00 0.00 0.00 0.00 23.12 22.04 3maj s ALA 91 CO 0.09 0.07 1.23 -2.30 0.00 0.00 0.00 175.76 174.86 3maj n PRO 92 N -1.16 1.92 0.00 0.00 -0.02 -1.26 -1.77 135.00 132.71 3maj n PRO 92 Ca -0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3maj n PRO 92 Cb 0.60 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3maj n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3maj n GLY 93 N 1.06 3.09 3.92 -1.23 0.00 -1.22 -4.57 105.19 106.23 3maj n GLY 93 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3maj n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3maj s GLU 94 N -0.79 3.54 0.13 1.61 2.02 -0.73 -4.54 118.70 119.94 3maj s GLU 94 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.55 3maj s GLU 94 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 3maj s GLU 94 CO 0.00 0.08 1.70 0.99 0.02 0.00 0.00 175.26 178.05 3maj s THR 95 N -2.36 2.59 0.00 3.63 2.01 -0.90 -1.61 115.64 119.01 3maj s THR 95 Ca 0.43 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.68 3maj s THR 95 Cb -0.10 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3maj s THR 95 CO 0.36 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 3maj n GLY 96 N 4.01 1.37 3.47 4.40 0.00 -1.25 -4.91 105.19 112.28 3maj n GLY 96 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3maj n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3maj s TYR 97 N -2.24 3.22 0.00 1.61 5.04 -0.63 -4.95 117.35 119.40 3maj s TYR 97 Ca 0.00 -0.47 -0.30 0.00 -2.44 0.00 0.00 57.07 53.86 3maj s TYR 97 Cb 0.00 -2.46 -0.06 0.00 0.35 0.00 0.00 41.96 39.79 3maj s TYR 97 CO 0.00 -0.46 1.48 -1.25 -1.34 0.00 0.00 175.55 173.98 3maj s PRO 98 N 1.66 4.25 0.26 4.97 0.04 -1.26 -4.67 135.00 140.24 3maj s PRO 98 Ca 0.05 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 3maj s PRO 98 Cb -0.18 -3.64 0.48 0.00 0.04 0.00 0.00 34.50 31.20 3maj s PRO 98 CO 0.09 -0.65 1.79 1.15 0.04 0.00 0.00 177.00 179.42 3maj h THR 99 N 5.00 0.83 0.00 1.26 2.02 -1.92 -1.51 112.91 118.60 3maj h THR 99 Ca -0.39 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3maj h THR 99 Cb 1.18 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3maj h THR 99 CO 0.92 0.14 -0.29 0.03 0.37 0.00 0.00 175.52 176.69 3maj h ARG 100 N 0.75 0.00 -0.33 6.66 3.08 -1.82 -2.45 114.38 120.26 3maj h ARG 100 Ca 0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.41 3maj h ARG 100 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3maj h ARG 100 CO -0.30 0.29 -0.14 1.25 -1.07 0.00 0.00 179.97 180.00 3maj h LEU 101 N 0.00 0.57 -2.60 3.04 5.85 -0.84 -2.56 115.31 118.77 3maj h LEU 101 Ca -0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3maj h LEU 101 Cb 0.52 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3maj h LEU 101 CO 0.04 0.74 -0.00 0.00 -0.34 0.00 0.00 178.44 178.88 3maj h ALA 102 N 1.31 1.01 -0.00 1.25 0.00 -1.45 -2.86 119.26 118.52 3maj h ALA 102 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3maj h ALA 102 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3maj h ALA 102 CO 0.04 0.00 -0.37 0.25 0.00 0.00 0.00 179.25 179.17 3maj n THR 103 N -3.10 0.00 -1.73 0.00 -2.24 -0.96 -4.54 114.28 101.71 3maj n THR 103 Ca -0.02 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3maj n THR 103 Cb 0.13 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 3maj n THR 103 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3maj s ILE 104 N -2.79 3.77 0.48 2.28 -4.36 -1.08 -4.94 121.20 114.56 3maj s ILE 104 Ca 0.17 0.70 0.21 0.00 -0.26 0.00 0.00 60.65 61.47 3maj s ILE 104 Cb 0.18 -3.30 0.26 0.00 1.25 0.00 0.00 42.46 40.85 3maj s ILE 104 CO 0.62 -0.63 2.09 0.44 0.24 0.00 0.00 174.94 177.69 3maj h ASP 105 N -0.25 0.00 -0.98 4.36 3.32 -1.91 -3.01 116.42 117.95 3maj h ASP 105 Ca -0.45 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.15 3maj h ASP 105 Cb 1.22 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.36 3maj h ASP 105 CO 0.56 0.11 -0.96 -0.90 -1.72 0.00 0.00 179.24 176.33 3maj n ASP 106 N -4.08 3.25 -4.77 6.45 5.68 -1.26 -4.56 116.55 117.26 3maj n ASP 106 Ca -0.02 -3.11 -0.40 0.00 -0.50 0.00 0.00 54.79 50.75 3maj n ASP 106 Cb 0.19 -0.45 0.02 0.00 -1.14 0.00 0.00 41.12 39.73 3maj n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3maj s ALA 107 N -3.50 3.30 0.02 2.12 0.00 -1.14 -4.83 121.76 117.74 3maj s ALA 107 Ca 0.39 1.51 -0.30 0.00 0.00 0.00 0.00 51.96 53.56 3maj s ALA 107 Cb 0.40 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 3maj s ALA 107 CO -0.05 -1.21 1.34 -1.25 0.00 0.00 0.00 175.76 174.59 3maj s PRO 108 N -2.41 4.32 0.21 0.00 0.04 -1.26 -4.78 135.00 131.12 3maj s PRO 108 Ca 0.60 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 3maj s PRO 108 Cb -0.45 -3.47 0.15 0.00 0.04 0.00 0.00 34.50 30.77 3maj s PRO 108 CO 0.58 -0.48 1.80 -1.35 0.04 0.00 0.00 177.00 177.60 3maj h PRO 109 N 7.41 1.10 -5.46 0.56 0.11 -1.92 -3.41 132.00 130.39 3maj h PRO 109 Ca -0.39 -0.16 -0.66 0.00 0.11 0.00 0.00 66.00 64.91 3maj h PRO 109 Cb 1.19 -0.20 -0.32 0.00 0.11 0.00 0.00 31.00 31.78 3maj h PRO 109 CO 0.88 0.85 -0.87 -0.51 -0.21 0.00 0.00 178.00 178.13 3maj s LEU 110 N -9.84 2.03 -0.16 2.35 1.43 -1.26 -4.27 118.68 108.95 3maj s LEU 110 Ca -0.13 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3maj s LEU 110 Cb 0.15 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 45.06 3maj s LEU 110 CO 0.82 0.17 -0.14 -0.22 0.23 0.00 0.00 176.35 177.20 3maj s LEU 111 N 0.20 2.50 -0.27 1.79 2.96 0.19 -4.74 118.68 121.31 3maj s LEU 111 Ca -0.13 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.03 3maj s LEU 111 Cb -0.16 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3maj s LEU 111 CO 0.06 0.07 1.00 -0.83 -1.32 0.00 0.00 176.35 175.33 3maj s GLY 112 N 0.93 1.66 -0.13 7.98 0.00 0.08 -0.63 107.32 117.21 3maj s GLY 112 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.72 3maj s GLY 112 CO -0.02 2.12 -0.22 0.14 0.00 0.00 0.00 173.10 175.12 3maj s VAL 113 N 3.26 2.14 -0.29 1.40 1.01 0.21 -1.12 120.40 127.01 3maj s VAL 113 Ca 0.42 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3maj s VAL 113 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3maj s VAL 113 CO 0.10 0.55 0.02 -2.28 0.00 0.00 0.00 175.10 173.48 3maj s HIS 114 N 0.72 3.18 0.17 5.22 5.04 0.14 -1.28 115.29 128.49 3maj s HIS 114 Ca -0.09 -1.53 -0.08 0.00 -1.54 0.00 0.00 55.06 51.82 3maj s HIS 114 Cb -0.16 -2.15 -0.01 0.00 0.04 0.00 0.00 32.58 30.29 3maj s HIS 114 CO 0.00 -0.73 0.26 0.00 -2.34 0.00 0.00 174.74 171.94 3maj s ALA 115 N 1.35 0.19 0.67 1.58 0.00 -1.26 -1.30 121.76 122.99 3maj s ALA 115 Ca -0.02 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 3maj s ALA 115 Cb -0.18 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3maj s ALA 115 CO -0.01 -0.64 0.86 1.28 0.00 0.00 0.00 175.76 177.26 3maj n LEU 116 N -0.22 2.99 -0.29 0.00 4.77 -1.26 -4.89 117.00 118.10 3maj n LEU 116 Ca -0.06 0.71 0.10 0.00 -0.03 0.00 0.00 56.01 56.73 3maj n LEU 116 Cb 0.63 -1.35 0.23 0.00 -2.33 0.00 0.00 43.42 40.60 3maj n LEU 116 CO 0.26 -2.22 0.86 -0.65 -1.33 0.00 0.00 177.39 174.30 3maj h PRO 117 N 0.01 0.11 -0.67 3.23 0.10 -1.98 -1.73 132.00 131.07 3maj h PRO 117 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.62 3maj h PRO 117 Cb 1.35 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.43 3maj h PRO 117 CO 0.47 0.07 0.00 -0.85 0.10 0.00 0.00 178.00 177.80 3maj n GLU 118 N -5.34 3.69 -0.28 1.05 0.28 -1.26 -4.52 120.64 114.26 3maj n GLU 118 Ca 0.18 -2.87 0.07 0.00 -0.16 0.00 0.00 57.16 54.38 3maj n GLU 118 Cb 0.60 -1.89 0.21 0.00 1.43 0.00 0.00 31.44 31.80 3maj n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3maj n ALA 119 N 1.19 2.40 0.31 -1.84 0.00 -0.65 -4.59 120.51 117.33 3maj n ALA 119 Ca 0.26 -1.38 0.20 0.00 0.00 0.00 0.00 53.44 52.53 3maj n ALA 119 Cb 0.88 -0.59 1.00 0.00 0.00 0.00 0.00 19.45 20.75 3maj n ALA 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3maj h LEU 120 N 2.46 0.00 0.00 0.00 5.85 -1.79 -2.52 115.31 119.31 3maj h LEU 120 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3maj h LEU 120 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3maj h LEU 120 CO 0.05 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 3maj n ALA 121 N -2.06 1.71 0.00 1.25 0.00 -1.26 -3.94 120.51 116.20 3maj n ALA 121 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3maj n ALA 121 Cb 0.15 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3maj n ALA 121 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3maj n VAL 122 N -1.45 0.00 0.00 0.00 3.14 -0.95 -3.91 118.33 115.15 3maj n VAL 122 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3maj n VAL 122 Cb 0.16 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 3maj n VAL 122 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3maj n ALA 124 N 2.15 0.00 -2.04 1.55 0.00 -1.26 -4.86 120.51 116.05 3maj n ALA 124 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3maj n ALA 124 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3maj n ALA 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3maj s ARG 125 N 0.00 3.83 1.27 0.00 0.52 -1.25 -4.97 118.95 118.36 3maj s ARG 125 Ca 0.00 0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 55.66 3maj s ARG 125 Cb 0.00 -2.28 0.32 0.00 0.52 0.00 0.00 34.95 33.51 3maj s ARG 125 CO 0.00 -0.15 1.09 -1.25 0.02 0.00 0.00 175.30 175.01 3maj s PRO 126 N -4.00 -1.78 -0.28 3.54 0.04 -1.26 -4.83 135.00 126.43 3maj s PRO 126 Ca 0.54 -0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.26 3maj s PRO 126 Cb -0.10 -1.54 0.09 0.00 0.04 0.00 0.00 34.50 32.99 3maj s PRO 126 CO 0.32 -4.06 0.69 0.42 0.04 0.00 0.00 177.00 174.42 3maj s ILE 128 N -2.93 -0.12 0.16 0.56 -1.09 -0.35 -1.00 121.20 116.43 3maj s ILE 128 Ca 0.72 0.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.84 3maj s ILE 128 Cb -0.08 -1.00 -0.07 0.00 -1.58 0.00 0.00 42.46 39.73 3maj s ILE 128 CO 0.56 0.00 0.96 0.00 -1.23 0.00 0.00 174.94 175.23 3maj s ALA 129 N 1.79 3.28 -0.17 9.38 0.00 -0.22 -1.46 121.76 134.35 3maj s ALA 129 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3maj s ALA 129 Cb -0.06 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.84 3maj s ALA 129 CO -0.20 0.05 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 3maj s ILE 130 N -0.40 1.35 0.25 0.00 1.01 -0.86 0.52 121.20 123.08 3maj s ILE 130 Ca 0.45 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3maj s ILE 130 Cb -0.24 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3maj s ILE 130 CO 0.31 0.22 0.09 0.68 0.00 0.00 0.00 174.94 176.23 3maj s VAL 131 N 1.54 0.55 -4.68 2.92 -7.23 -0.47 -4.59 120.40 108.45 3maj s VAL 131 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3maj s VAL 131 Cb -0.15 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.21 3maj s VAL 131 CO -0.08 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3maj n GLY 132 N -0.43 -1.78 3.49 2.32 0.00 -1.26 -1.24 105.19 106.28 3maj n GLY 132 Ca -0.01 -1.23 -0.58 0.00 0.00 0.00 0.00 46.02 44.21 3maj n GLY 132 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3maj n SER 133 N 2.81 -0.15 -0.13 1.61 7.64 -0.53 -4.49 113.62 120.38 3maj n SER 133 Ca 0.00 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.92 3maj n SER 133 Cb 0.00 -0.92 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 3maj n SER 133 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3maj h ARG 134 N 2.76 0.80 -4.44 1.43 3.08 -1.94 -1.91 114.38 114.16 3maj h ARG 134 Ca -0.48 -0.36 -0.74 0.00 0.07 0.00 0.00 59.98 58.47 3maj h ARG 134 Cb 1.43 -0.02 -0.21 0.00 0.08 0.00 0.00 29.97 31.25 3maj h ARG 134 CO 0.64 0.98 0.78 1.21 -1.07 0.00 0.00 179.97 182.51 3maj s ASN 135 N -6.52 6.92 0.16 7.04 2.47 -1.26 -3.04 114.94 120.70 3maj s ASN 135 Ca -0.12 -2.75 -0.00 0.00 0.42 0.00 0.00 52.86 50.41 3maj s ASN 135 Cb 0.10 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 3maj s ASN 135 CO 0.83 -0.73 0.34 0.00 -3.72 0.00 0.00 177.10 173.82 3maj s ALA 136 N 1.13 3.89 0.64 1.71 0.00 -1.26 -5.06 121.76 122.81 3maj s ALA 136 Ca 0.32 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 3maj s ALA 136 Cb -0.06 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3maj s ALA 136 CO -0.06 0.55 1.04 -1.54 0.00 0.00 0.00 175.76 175.75 3maj s SER 137 N -2.99 5.81 0.24 0.00 1.04 -1.26 -4.88 113.70 111.66 3maj s SER 137 Ca 0.37 1.58 -0.05 0.00 0.48 0.00 0.00 55.95 58.33 3maj s SER 137 Cb -0.11 -2.49 0.41 0.00 0.10 0.00 0.00 66.02 63.93 3maj s SER 137 CO 0.28 -1.15 1.74 1.23 0.98 0.00 0.00 173.24 176.32 3maj h GLY 138 N -0.30 1.10 1.17 7.32 0.00 -1.99 -0.75 103.07 109.62 3maj h GLY 138 Ca -0.44 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3maj h GLY 138 CO 0.59 -0.06 0.02 0.00 0.00 0.00 0.00 176.54 177.10 3maj h ALA 139 N 1.51 0.93 -0.42 3.60 0.00 -1.99 -2.10 119.26 120.78 3maj h ALA 139 Ca 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3maj h ALA 139 Cb 0.54 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3maj h ALA 139 CO -0.36 0.64 0.17 0.78 0.00 0.00 0.00 179.25 180.48 3maj h GLY 140 N 1.01 0.68 0.83 0.00 0.00 -1.77 -0.48 103.07 103.34 3maj h GLY 140 Ca 0.17 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.17 3maj h GLY 140 CO 0.02 0.35 0.43 1.41 0.00 0.00 0.00 176.54 178.75 3maj h LEU 141 N 0.54 0.70 -0.18 3.11 3.38 -1.10 -0.03 115.31 121.73 3maj h LEU 141 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3maj h LEU 141 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3maj h LEU 141 CO -0.01 0.48 0.05 0.50 0.09 0.00 0.00 178.44 179.55 3maj h LYS 142 N 0.83 0.28 -0.57 1.13 3.64 -1.21 -1.51 116.57 119.17 3maj h LYS 142 Ca 0.29 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3maj h LYS 142 Cb 0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3maj h LYS 142 CO -0.12 0.39 0.30 0.35 -2.27 0.00 0.00 179.45 178.10 3maj h PHE 143 N 0.11 0.79 -0.54 1.91 3.57 -0.85 -1.31 116.94 120.61 3maj h PHE 143 Ca 0.06 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3maj h PHE 143 Cb 0.23 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3maj h PHE 143 CO 0.00 0.58 0.35 0.00 -2.23 0.00 0.00 178.31 177.01 3maj h ALA 144 N 1.13 0.69 -0.13 2.41 0.00 -0.86 0.95 119.26 123.45 3maj h ALA 144 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3maj h ALA 144 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3maj h ALA 144 CO -0.03 0.10 0.07 0.78 0.00 0.00 0.00 179.25 180.17 3maj h GLY 145 N 0.71 0.20 0.98 0.00 0.00 -1.09 -1.26 103.07 102.61 3maj h GLY 145 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3maj h GLY 145 CO -0.06 0.09 0.16 -1.61 0.00 0.00 0.00 176.54 175.12 3maj h GLN 146 N 0.10 0.82 -0.22 4.80 5.75 -1.02 -1.41 115.11 123.93 3maj h GLN 146 Ca 0.05 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3maj h GLN 146 Cb 0.09 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3maj h GLN 146 CO -0.01 0.76 0.14 1.25 -2.65 0.00 0.00 178.83 178.32 3maj h LEU 147 N 0.72 0.23 -0.49 -2.39 5.85 -0.76 0.13 115.31 118.60 3maj h LEU 147 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3maj h LEU 147 Cb 0.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3maj h LEU 147 CO -0.00 0.17 0.27 0.00 -0.34 0.00 0.00 178.44 178.53 3maj h ALA 148 N 1.09 0.63 -0.63 1.25 0.00 -1.14 0.60 119.26 121.06 3maj h ALA 148 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3maj h ALA 148 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3maj h ALA 148 CO -0.03 0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.64 3maj h ALA 149 N 1.11 0.82 -0.34 0.00 0.00 -1.09 -1.07 119.26 118.68 3maj h ALA 149 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3maj h ALA 149 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3maj h ALA 149 CO -0.03 0.42 -0.05 -0.44 0.00 0.00 0.00 179.25 179.15 3maj h ASP 150 N 0.88 0.63 -0.77 0.00 3.32 -0.71 -0.38 116.42 119.39 3maj h ASP 150 Ca 0.21 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3maj h ASP 150 Cb 0.17 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3maj h ASP 150 CO -0.02 0.82 0.32 -0.07 -1.72 0.00 0.00 179.24 178.57 3maj h LEU 151 N 0.43 1.05 -0.51 1.55 3.38 -0.77 -2.07 115.31 118.38 3maj h LEU 151 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3maj h LEU 151 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3maj h LEU 151 CO 0.03 0.93 0.24 1.23 0.09 0.00 0.00 178.44 180.95 3maj h GLY 152 N 1.11 0.79 2.00 0.83 0.00 -1.08 -1.21 103.07 105.50 3maj h GLY 152 Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3maj h GLY 152 CO -0.02 0.38 -0.03 0.00 0.00 0.00 0.00 176.54 176.86 3maj h ALA 153 N 1.08 1.24 0.00 3.60 0.00 -0.86 -0.90 119.26 123.41 3maj h ALA 153 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3maj h ALA 153 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3maj h ALA 153 CO -0.02 0.04 -0.25 0.00 0.00 0.00 0.00 179.25 179.02 3maj n ALA 154 N -2.21 2.65 0.00 0.00 0.00 -0.75 -4.94 120.51 115.27 3maj n ALA 154 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3maj n ALA 154 Cb 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3maj n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maj n GLY 155 N 1.38 1.14 3.82 0.00 0.00 -0.34 -5.10 105.19 106.09 3maj n GLY 155 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3maj n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3maj s PHE 156 N -2.00 3.28 0.14 1.61 0.08 -0.53 -4.74 117.98 115.81 3maj s PHE 156 Ca 0.00 1.59 -0.23 0.00 0.12 0.00 0.00 56.93 58.41 3maj s PHE 156 Cb 0.00 -2.87 -0.08 0.00 -0.57 0.00 0.00 43.02 39.50 3maj s PHE 156 CO 0.00 -0.23 0.71 0.08 -0.10 0.00 0.00 175.22 175.68 3maj s VAL 157 N -2.20 4.50 -0.25 -0.44 1.01 -0.17 -3.90 120.40 118.95 3maj s VAL 157 Ca 0.62 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 3maj s VAL 157 Cb -0.10 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3maj s VAL 157 CO 0.16 0.52 0.18 -0.69 0.00 0.00 0.00 175.10 175.27 3maj s VAL 158 N -1.15 5.34 -0.08 2.92 1.01 -0.95 -1.21 120.40 126.28 3maj s VAL 158 Ca 0.34 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3maj s VAL 158 Cb -0.22 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3maj s VAL 158 CO 0.24 0.31 -0.07 -0.51 0.00 0.00 0.00 175.10 175.07 3maj s ILE 159 N 1.27 3.71 0.06 2.22 2.07 -0.54 -0.54 121.20 129.45 3maj s ILE 159 Ca 0.08 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.83 3maj s ILE 159 Cb -0.14 -2.53 0.01 0.00 0.13 0.00 0.00 42.46 39.93 3maj s ILE 159 CO 0.06 0.58 0.12 -0.24 -1.91 0.00 0.00 174.94 173.56 3maj n SER 160 N 2.42 -0.35 -0.53 4.50 2.88 -0.59 -2.02 113.62 119.94 3maj n SER 160 Ca -0.18 -1.27 0.09 0.00 -1.33 0.00 0.00 58.87 56.18 3maj n SER 160 Cb 0.53 0.59 0.20 0.00 -0.75 0.00 0.00 64.21 64.78 3maj n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3maj n GLY 161 N -0.09 4.34 2.57 0.46 0.00 -1.26 -1.15 105.19 110.06 3maj n GLY 161 Ca -0.01 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 3maj n GLY 161 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3maj n LEU 162 N -0.87 -1.47 -4.86 0.99 7.94 -1.26 -4.74 117.00 112.73 3maj n LEU 162 Ca 0.18 0.50 -0.31 0.00 -1.11 0.00 0.00 56.01 55.28 3maj n LEU 162 Cb 0.77 -2.81 0.03 0.00 0.53 0.00 0.00 43.42 41.94 3maj n LEU 162 CO 0.09 -1.07 0.73 0.00 -1.11 0.00 0.00 177.39 176.03 3maj s ALA 163 N -2.72 2.93 0.88 1.96 0.00 -1.26 -4.33 121.76 119.22 3maj s ALA 163 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3maj s ALA 163 Cb 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.11 3maj s ALA 163 CO 0.00 -0.96 0.83 0.54 0.00 0.00 0.00 175.76 176.16 3maj n ARG 164 N -2.92 -0.14 0.00 0.00 5.12 -1.26 -2.01 116.66 115.44 3maj n ARG 164 Ca 0.07 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3maj n ARG 164 Cb 0.55 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 3maj n ARG 164 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3maj n GLY 165 N 0.94 0.71 0.15 -0.13 0.00 -1.17 -4.15 105.19 101.54 3maj n GLY 165 Ca 0.10 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 3maj n GLY 165 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3maj h ILE 166 N 0.00 0.72 -0.05 -0.61 1.08 -1.57 -2.88 117.51 114.20 3maj h ILE 166 Ca 0.00 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 3maj h ILE 166 Cb 0.00 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 3maj h ILE 166 CO 0.00 0.01 -0.31 0.44 -0.69 0.00 0.00 178.15 177.60 3maj h ASP 167 N 0.07 -0.95 -0.23 1.72 5.19 -1.73 -1.45 116.42 119.04 3maj h ASP 167 Ca 0.17 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.66 3maj h ASP 167 Cb 0.24 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 3maj h ASP 167 CO -0.30 -0.37 0.02 0.06 -3.12 0.00 0.00 179.24 175.53 3maj h GLN 168 N -0.44 0.50 -0.71 3.56 -0.00 -1.31 0.49 115.11 117.22 3maj h GLN 168 Ca 0.07 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.58 3maj h GLN 168 Cb 0.55 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 27.92 3maj h GLN 168 CO -0.29 0.51 0.27 0.00 -0.00 0.00 0.00 178.83 179.31 3maj h ALA 169 N 1.55 0.92 -0.26 0.06 0.00 -1.22 -0.13 119.26 120.18 3maj h ALA 169 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3maj h ALA 169 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3maj h ALA 169 CO 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 3maj h ALA 170 N 1.13 0.36 -0.04 0.00 0.00 -0.54 -2.72 119.26 117.45 3maj h ALA 170 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3maj h ALA 170 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3maj h ALA 170 CO -0.02 0.17 -0.01 0.45 0.00 0.00 0.00 179.25 179.84 3maj h HIS 171 N 0.25 -0.02 -0.86 0.00 3.86 -0.78 -2.43 115.15 115.17 3maj h HIS 171 Ca 0.06 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.39 3maj h HIS 171 Cb 0.54 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.96 3maj h HIS 171 CO 0.05 -0.01 0.56 0.00 0.86 0.00 0.00 177.93 179.39 3maj h ARG 172 N 0.00 0.74 0.00 2.45 3.08 -1.04 -1.68 114.38 117.94 3maj h ARG 172 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3maj h ARG 172 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3maj h ARG 172 CO -0.04 0.49 -0.44 0.00 -1.07 0.00 0.00 179.97 178.91 3maj n ALA 173 N -2.43 2.89 -0.39 0.04 0.00 -1.03 -3.82 120.51 115.78 3maj n ALA 173 Ca 0.15 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.44 3maj n ALA 173 Cb 0.38 -1.24 0.20 0.00 0.00 0.00 0.00 19.45 18.79 3maj n ALA 173 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3maj n SER 174 N -1.95 3.33 -0.14 0.00 3.41 -0.68 -4.07 113.62 113.51 3maj n SER 174 Ca 0.04 -2.24 -0.08 0.00 -0.26 0.00 0.00 58.87 56.33 3maj n SER 174 Cb 0.41 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3maj n SER 174 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3maj h LEU 175 N 2.28 -1.27 -0.94 1.04 3.38 -1.53 0.36 115.31 118.64 3maj h LEU 175 Ca 0.00 0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3maj h LEU 175 Cb 0.95 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 3maj h LEU 175 CO 0.06 -0.34 -0.42 0.77 0.09 0.00 0.00 178.44 178.60 3maj h SER 176 N -0.27 0.00 0.67 -0.43 4.64 -1.85 -2.67 113.55 113.65 3maj h SER 176 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3maj h SER 176 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3maj h SER 176 CO -0.58 0.42 -1.02 -1.54 -0.87 0.00 0.00 176.83 173.23 3maj n SER 177 N -3.61 0.66 0.00 4.97 3.41 -1.07 -5.03 113.62 112.94 3maj n SER 177 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3maj n SER 177 Cb 0.52 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 3maj n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3maj n GLY 178 N 1.29 3.49 3.07 5.00 0.00 0.09 -4.80 105.19 113.33 3maj n GLY 178 Ca 0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 3maj n GLY 178 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3maj s THR 179 N 0.00 0.56 -0.07 2.61 -1.32 -1.25 -2.24 115.64 113.93 3maj s THR 179 Ca 0.00 -1.18 0.05 0.00 -1.21 0.00 0.00 61.69 59.35 3maj s THR 179 Cb 0.00 -0.73 -0.00 0.00 -1.51 0.00 0.00 72.50 70.26 3maj s THR 179 CO 0.00 -0.44 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.07 3maj s VAL 180 N -1.64 1.79 -0.17 5.08 1.01 0.29 -2.06 120.40 124.71 3maj s VAL 180 Ca -0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3maj s VAL 180 Cb -0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3maj s VAL 180 CO -0.00 0.50 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 3maj s ALA 181 N 0.15 3.07 -0.30 5.51 0.00 -0.32 -1.55 121.76 128.34 3maj s ALA 181 Ca -0.10 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 3maj s ALA 181 Cb -0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3maj s ALA 181 CO 0.05 0.12 0.34 0.08 0.00 0.00 0.00 175.76 176.34 3maj s VAL 182 N 0.52 5.20 0.07 0.00 1.01 -0.30 -0.42 120.40 126.49 3maj s VAL 182 Ca -0.02 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 3maj s VAL 182 Cb -0.14 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3maj s VAL 182 CO 0.02 0.09 0.51 -0.76 0.00 0.00 0.00 175.10 174.97 3maj s LEU 183 N 2.00 4.45 0.37 3.92 1.43 0.13 -4.56 118.68 126.42 3maj s LEU 183 Ca 0.12 1.11 0.21 0.00 -1.03 0.00 0.00 54.13 54.55 3maj s LEU 183 Cb -0.16 -2.92 0.23 0.00 0.03 0.00 0.00 46.19 43.37 3maj s LEU 183 CO 0.11 0.24 1.49 0.00 0.23 0.00 0.00 176.35 178.42 3maj h ALA 184 N 4.28 0.87 -3.00 4.21 0.00 -1.88 -3.43 119.26 120.30 3maj h ALA 184 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3maj h ALA 184 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3maj h ALA 184 CO 0.64 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3maj n GLY 185 N 1.14 5.81 3.72 0.00 0.00 -1.26 -4.78 105.19 109.82 3maj n GLY 185 Ca 0.03 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3maj n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3maj s GLY 186 N 0.00 2.37 0.64 -0.02 0.00 0.46 -4.79 107.32 105.98 3maj s GLY 186 Ca 0.00 0.89 0.34 0.00 0.00 0.00 0.00 44.72 45.94 3maj s GLY 186 CO 0.00 1.29 2.10 0.45 0.00 0.00 0.00 173.10 176.94 3maj h HIS 187 N -0.21 0.00 -0.26 1.90 -0.00 -1.90 -1.88 115.15 112.80 3maj h HIS 187 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 3maj h HIS 187 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3maj h HIS 187 CO 0.47 0.00 0.00 -0.40 -0.00 0.00 0.00 177.93 178.00 3maj n ASP 188 N -3.22 2.99 -3.68 2.45 5.75 -1.26 -4.72 116.55 114.87 3maj n ASP 188 Ca -0.01 -1.88 -0.27 0.00 -0.01 0.00 0.00 54.79 52.62 3maj n ASP 188 Cb 0.29 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.11 3maj n ASP 188 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3maj n LYS 189 N 1.14 1.66 -2.73 0.11 4.76 -0.71 -4.95 118.16 117.43 3maj n LYS 189 Ca 0.15 -4.25 -0.41 0.00 -2.87 0.00 0.00 58.31 50.93 3maj n LYS 189 Cb 0.51 -2.12 -0.05 0.00 -1.84 0.00 0.00 35.03 31.53 3maj n LYS 189 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3maj s ILE 190 N -1.43 4.43 -0.03 -0.18 -1.09 -1.26 -4.49 121.20 117.14 3maj s ILE 190 Ca 0.30 2.07 0.02 0.00 -2.23 0.00 0.00 60.65 60.81 3maj s ILE 190 Cb 0.03 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 3maj s ILE 190 CO -0.14 0.35 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.38 3maj s TYR 191 N -0.19 0.85 0.58 3.97 5.04 -1.26 -3.86 117.35 122.49 3maj s TYR 191 Ca 0.46 -0.23 -0.16 0.00 -2.44 0.00 0.00 57.07 54.70 3maj s TYR 191 Cb -0.24 -0.67 -0.04 0.00 0.35 0.00 0.00 41.96 41.36 3maj s TYR 191 CO 0.30 -0.15 1.05 -1.25 -1.34 0.00 0.00 175.55 174.17 3maj s PRO 192 N 0.52 3.38 0.34 4.97 0.04 -1.26 -4.84 135.00 138.15 3maj s PRO 192 Ca -0.08 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.19 3maj s PRO 192 Cb -0.11 -2.04 0.60 0.00 0.04 0.00 0.00 34.50 32.98 3maj s PRO 192 CO 0.01 -0.76 2.00 0.00 0.04 0.00 0.00 177.00 178.28 3maj h ALA 193 N 0.56 1.51 0.00 8.56 0.00 -1.99 0.00 119.26 127.90 3maj h ALA 193 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3maj h ALA 193 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3maj h ALA 193 CO 0.58 0.44 0.00 0.39 0.00 0.00 0.00 179.25 180.66 3maj n GLU 194 N -4.43 0.04 -0.45 0.00 4.71 -1.26 -1.93 120.64 117.33 3maj n GLU 194 Ca 0.07 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 57.78 3maj n GLU 194 Cb 0.04 -1.61 0.32 0.00 -1.01 0.00 0.00 31.44 29.18 3maj n GLU 194 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3maj n HIS 195 N -1.70 1.13 -0.26 -0.32 8.25 -0.01 -4.49 115.22 117.82 3maj n HIS 195 Ca 0.01 -0.55 -0.01 0.00 -0.26 0.00 0.00 57.72 56.91 3maj n HIS 195 Cb 0.07 -0.10 0.11 0.00 1.12 0.00 0.00 29.99 31.19 3maj n HIS 195 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3maj h GLU 196 N 3.98 0.78 0.02 -0.41 5.08 -1.50 -1.43 114.58 121.09 3maj h GLU 196 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3maj h GLU 196 Cb 1.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3maj h GLU 196 CO 0.09 0.52 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.17 3maj h ASP 197 N 0.80 -0.02 -0.48 1.42 3.32 -1.83 -2.44 116.42 117.19 3maj h ASP 197 Ca 0.33 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.26 3maj h ASP 197 Cb 0.17 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 3maj h ASP 197 CO -0.18 0.20 -0.00 0.25 -1.72 0.00 0.00 179.24 177.79 3maj h LEU 198 N -0.24 -0.21 -0.64 1.55 5.85 -1.82 -1.11 115.31 118.69 3maj h LEU 198 Ca -0.00 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3maj h LEU 198 Cb 0.23 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3maj h LEU 198 CO 0.00 -0.07 0.35 0.25 -0.34 0.00 0.00 178.44 178.63 3maj h LEU 199 N 0.11 0.52 -1.00 2.25 5.85 -1.08 -0.13 115.31 121.83 3maj h LEU 199 Ca 0.24 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3maj h LEU 199 Cb 0.36 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3maj h LEU 199 CO -0.41 0.34 0.54 0.25 -0.34 0.00 0.00 178.44 178.82 3maj h LEU 200 N 0.65 1.09 -0.71 2.25 5.85 -0.94 -1.79 115.31 121.71 3maj h LEU 200 Ca 0.29 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3maj h LEU 200 Cb 0.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3maj h LEU 200 CO -0.18 0.84 0.09 0.44 -0.34 0.00 0.00 178.44 179.29 3maj h ASP 201 N 1.24 1.04 -0.25 1.25 3.32 -0.11 -0.24 116.42 122.67 3maj h ASP 201 Ca 0.32 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3maj h ASP 201 Cb -0.05 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.18 3maj h ASP 201 CO -0.06 1.04 -0.10 0.40 -1.72 0.00 0.00 179.24 178.80 3maj h ILE 202 N 1.01 0.67 -0.31 0.35 2.04 -0.67 -0.97 117.51 119.61 3maj h ILE 202 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 3maj h ILE 202 Cb 0.45 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3maj h ILE 202 CO 0.01 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.73 3maj h ILE 203 N -0.06 1.14 0.00 -0.67 1.08 -1.02 0.08 117.51 118.06 3maj h ILE 203 Ca 0.13 -0.39 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 3maj h ILE 203 Cb 0.25 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3maj h ILE 203 CO -0.29 0.14 -0.12 1.56 -0.69 0.00 0.00 178.15 178.75 3maj h GLN 204 N 0.37 0.00 -0.79 2.37 1.08 -0.86 -1.97 115.11 115.33 3maj h GLN 204 Ca 0.11 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.04 3maj h GLN 204 Cb 0.08 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.36 3maj h GLN 204 CO -0.02 0.12 0.33 0.25 -0.95 0.00 0.00 178.83 178.57 3maj n THR 205 N -3.68 2.99 -1.54 -0.54 -2.24 -0.39 -4.91 114.28 103.97 3maj n THR 205 Ca -0.02 -1.69 -0.05 0.00 -2.27 0.00 0.00 64.05 60.02 3maj n THR 205 Cb 0.24 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 3maj n THR 205 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3maj n ARG 206 N -0.31 -0.37 0.00 -0.78 1.74 -0.74 -4.67 116.66 111.54 3maj n ARG 206 Ca 0.44 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3maj n ARG 206 Cb 1.44 -4.23 0.00 0.00 -1.02 0.00 0.00 32.46 28.65 3maj n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3maj n GLY 207 N -1.80 1.76 3.47 -0.13 0.00 -0.00 -4.82 105.19 103.65 3maj n GLY 207 Ca -0.05 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 3maj n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maj s ALA 208 N -3.13 -1.67 -0.06 4.61 0.00 -0.88 -4.52 121.76 116.11 3maj s ALA 208 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3maj s ALA 208 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3maj s ALA 208 CO 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 175.76 175.10 3maj s ALA 209 N -2.45 2.86 0.08 0.00 0.00 -0.42 -1.17 121.76 120.66 3maj s ALA 209 Ca -0.05 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3maj s ALA 209 Cb -0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3maj s ALA 209 CO -0.01 0.56 -0.20 0.96 0.00 0.00 0.00 175.76 177.06 3maj s ILE 210 N -0.75 1.66 -0.09 0.00 -4.36 0.44 -0.68 121.20 117.43 3maj s ILE 210 Ca 0.11 -1.40 -0.28 0.00 -0.26 0.00 0.00 60.65 58.82 3maj s ILE 210 Cb -0.11 -1.49 0.06 0.00 1.25 0.00 0.00 42.46 42.17 3maj s ILE 210 CO 0.01 0.03 0.64 -0.55 0.24 0.00 0.00 174.94 175.31 3maj s SER 211 N -1.63 -0.63 -0.86 4.36 0.15 -0.27 -0.69 113.70 114.13 3maj s SER 211 Ca 0.06 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.50 3maj s SER 211 Cb -0.10 0.69 0.35 0.00 -1.71 0.00 0.00 66.02 65.25 3maj s SER 211 CO 0.03 -0.52 1.81 -1.84 1.20 0.00 0.00 173.24 173.92 3maj n GLU 212 N 1.31 3.79 -4.04 5.44 0.28 -1.26 -0.74 120.64 125.43 3maj n GLU 212 Ca -0.18 -4.10 -0.28 0.00 -0.16 0.00 0.00 57.16 52.44 3maj n GLU 212 Cb 0.57 -2.34 -0.05 0.00 1.43 0.00 0.00 31.44 31.05 3maj n GLU 212 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 3maj s PRO 214 N -4.08 3.02 0.38 3.44 0.02 -1.26 -4.94 135.00 131.58 3maj s PRO 214 Ca 0.47 -0.73 -0.27 0.00 0.02 0.00 0.00 61.00 60.49 3maj s PRO 214 Cb 0.34 -2.76 -0.11 0.00 0.02 0.00 0.00 34.50 31.99 3maj s PRO 214 CO -0.28 0.53 1.30 1.28 -0.33 0.00 0.00 177.00 179.50 3maj n LEU 215 N -0.04 3.91 0.00 -5.54 4.77 -1.26 -2.15 117.00 116.69 3maj n LEU 215 Ca -0.08 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3maj n LEU 215 Cb 0.53 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3maj n LEU 215 CO 0.45 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 3maj n GLY 216 N 0.75 1.27 3.58 -0.72 0.00 -1.26 -4.96 105.19 103.85 3maj n GLY 216 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3maj n GLY 216 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3maj s HIS 217 N -3.60 2.54 -0.01 1.61 5.04 -0.91 -4.91 115.29 115.04 3maj s HIS 217 Ca 0.00 0.46 -0.30 0.00 -1.54 0.00 0.00 55.06 53.68 3maj s HIS 217 Cb 0.00 -4.48 -0.05 0.00 0.04 0.00 0.00 32.58 28.10 3maj s HIS 217 CO 0.00 -1.68 1.29 0.08 -2.34 0.00 0.00 174.74 172.09 3maj s VAL 218 N 5.20 3.97 0.27 0.89 1.01 -1.26 -0.41 120.40 130.07 3maj s VAL 218 Ca 0.46 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3maj s VAL 218 Cb -0.08 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 3maj s VAL 218 CO 0.26 0.02 1.60 -2.84 0.00 0.00 0.00 175.10 174.14 3maj s PRO 219 N 2.08 4.13 0.33 2.72 0.02 -1.26 -4.93 135.00 138.09 3maj s PRO 219 Ca 0.60 2.56 0.08 0.00 0.02 0.00 0.00 61.00 64.26 3maj s PRO 219 Cb -0.28 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 3maj s PRO 219 CO 0.25 -0.64 0.19 1.03 -0.33 0.00 0.00 177.00 177.50 3maj s ARG 220 N -0.17 2.51 0.21 5.54 0.52 -1.26 -5.01 118.95 121.30 3maj s ARG 220 Ca 0.65 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.24 3maj s ARG 220 Cb -0.48 -2.29 0.20 0.00 0.52 0.00 0.00 34.95 32.90 3maj s ARG 220 CO 0.44 0.13 1.57 0.78 0.02 0.00 0.00 175.30 178.24 3maj h GLY 221 N 1.46 0.02 2.00 -3.53 0.00 -2.02 -1.14 103.07 99.85 3maj h GLY 221 Ca -0.44 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3maj h GLY 221 CO 0.61 -0.21 0.00 0.07 0.00 0.00 0.00 176.54 177.01 3maj h LYS 222 N -0.07 0.00 0.00 4.80 2.10 -2.02 -3.06 116.57 118.33 3maj h LYS 222 Ca 0.30 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.93 3maj h LYS 222 Cb 0.58 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3maj h LYS 222 CO -0.85 0.00 -0.08 -0.44 -2.00 0.00 0.00 179.45 176.08 3maj h ASP 223 N 0.00 0.00 -0.05 7.07 3.32 -1.54 -3.35 116.42 121.87 3maj h ASP 223 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3maj h ASP 223 Cb 0.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3maj h ASP 223 CO 0.00 0.08 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.31 3maj h PHE 224 N 0.00 0.13 -0.68 4.55 -1.00 -1.63 -2.80 116.94 115.52 3maj h PHE 224 Ca -0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3maj h PHE 224 Cb 0.76 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 3maj h PHE 224 CO 0.00 0.51 0.44 -1.35 -1.61 0.00 0.00 178.31 176.30 3maj h PRO 225 N -0.28 0.89 -0.87 1.51 0.11 -1.80 -2.63 132.00 128.94 3maj h PRO 225 Ca 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3maj h PRO 225 Cb 0.47 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3maj h PRO 225 CO 0.01 0.60 0.46 -0.09 -0.21 0.00 0.00 178.00 178.77 3maj h ARG 226 N 0.92 1.22 0.00 1.05 9.65 -1.68 -2.52 114.38 123.01 3maj h ARG 226 Ca 0.25 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3maj h ARG 226 Cb -0.09 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.25 3maj h ARG 226 CO -0.05 0.90 -0.12 -0.09 2.80 0.00 0.00 179.97 183.41 3maj h ARG 227 N 1.22 0.00 0.00 0.20 1.12 -1.19 -3.27 114.38 112.45 3maj h ARG 227 Ca 0.30 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 59.12 3maj h ARG 227 Cb 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 3maj h ARG 227 CO -0.05 0.12 -0.23 -0.91 -3.11 0.00 0.00 179.97 175.79 3maj h ASN 228 N 0.00 0.00 0.44 -3.80 2.35 -1.33 -1.43 115.58 111.80 3maj h ASN 228 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3maj h ASN 228 Cb 0.67 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3maj h ASN 228 CO 0.02 0.23 -0.15 0.08 -1.65 0.00 0.00 177.43 175.96 3maj h ARG 229 N 0.00 0.00 0.07 0.81 0.11 -1.70 -2.31 114.38 111.37 3maj h ARG 229 Ca -0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 3maj h ARG 229 Cb 0.42 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.50 3maj h ARG 229 CO 0.03 0.15 -1.11 -0.07 0.10 0.00 0.00 179.97 179.08 3maj h LEU 230 N 0.00 0.35 0.02 0.08 3.38 -1.48 0.20 115.31 117.86 3maj h LEU 230 Ca -0.00 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3maj h LEU 230 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3maj h LEU 230 CO 0.02 1.23 -0.01 0.40 0.09 0.00 0.00 178.44 180.17 3maj h ILE 231 N 0.09 1.09 -0.24 1.22 2.04 -1.33 -1.96 117.51 118.43 3maj h ILE 231 Ca -0.09 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.25 3maj h ILE 231 Cb 1.81 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3maj h ILE 231 CO 0.18 0.09 -0.52 0.77 0.00 0.00 0.00 178.15 178.66 3maj h SER 232 N -0.17 0.88 -0.96 1.72 4.64 -1.52 -3.26 113.55 114.87 3maj h SER 232 Ca -0.00 -0.55 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3maj h SER 232 Cb 0.16 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 3maj h SER 232 CO 0.00 1.27 0.63 1.23 -0.87 0.00 0.00 176.83 179.09 3maj h GLY 233 N 0.53 1.41 2.00 -0.77 0.00 -0.53 -1.79 103.07 103.92 3maj h GLY 233 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3maj h GLY 233 CO 0.12 0.39 0.00 0.00 0.00 0.00 0.00 176.54 177.04 3maj h ALA 234 N 1.45 1.00 -2.29 3.60 0.00 -1.43 -2.58 119.26 119.01 3maj h ALA 234 Ca 0.39 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.83 3maj h ALA 234 Cb 0.06 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.90 3maj h ALA 234 CO -0.13 0.00 0.18 -1.54 0.00 0.00 0.00 179.25 177.76 3maj s SER 235 N -4.73 5.60 -0.07 0.00 1.04 -0.67 -4.62 113.70 110.26 3maj s SER 235 Ca 0.09 0.74 0.19 0.00 0.48 0.00 0.00 55.95 57.45 3maj s SER 235 Cb 0.11 -1.73 0.65 0.00 0.10 0.00 0.00 66.02 65.15 3maj s SER 235 CO 0.58 -1.06 1.56 0.55 0.98 0.00 0.00 173.24 175.85 3maj n VAL 236 N -2.59 1.50 0.00 5.02 3.14 -1.26 -4.95 118.33 119.18 3maj n VAL 236 Ca 0.05 -1.15 0.00 0.00 -2.96 0.00 0.00 64.34 60.28 3maj n VAL 236 Cb 0.57 0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.63 3maj n VAL 236 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3maj n GLY 237 N 1.16 2.60 3.05 7.55 0.00 -1.26 -4.37 105.19 113.92 3maj n GLY 237 Ca 0.24 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3maj n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maj s VAL 238 N -1.53 1.75 -0.23 1.61 1.01 -0.64 -1.06 120.40 121.31 3maj s VAL 238 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3maj s VAL 238 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3maj s VAL 238 CO 0.00 0.41 0.12 0.00 0.00 0.00 0.00 175.10 175.63 3maj s ALA 239 N 1.40 3.51 -0.27 5.51 0.00 0.19 -0.46 121.76 131.64 3maj s ALA 239 Ca 0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 3maj s ALA 239 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3maj s ALA 239 CO -0.11 -0.13 0.15 0.08 0.00 0.00 0.00 175.76 175.75 3maj s VAL 240 N 0.94 4.99 -0.10 0.00 1.01 0.73 -1.36 120.40 126.60 3maj s VAL 240 Ca 0.06 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 3maj s VAL 240 Cb -0.13 -3.36 -0.27 0.00 0.00 0.00 0.00 36.38 32.62 3maj s VAL 240 CO 0.03 0.29 0.50 0.40 0.00 0.00 0.00 175.10 176.32 3maj h ILE 241 N 5.39 0.85 -2.57 2.22 1.08 -1.49 -2.26 117.51 120.75 3maj h ILE 241 Ca -0.36 -2.39 -0.09 0.00 -0.39 0.00 0.00 64.86 61.62 3maj h ILE 241 Cb 1.18 2.62 -0.20 0.00 -3.07 0.00 0.00 36.82 37.35 3maj h ILE 241 CO 0.57 0.79 -0.08 -1.61 -0.69 0.00 0.00 178.15 177.12 3maj s GLU 242 N -2.52 0.78 -0.30 2.37 2.02 -1.26 -4.43 118.70 115.36 3maj s GLU 242 Ca -0.20 0.17 -0.14 0.00 0.02 0.00 0.00 54.97 54.81 3maj s GLU 242 Cb 0.06 0.36 0.17 0.00 0.10 0.00 0.00 34.13 34.82 3maj s GLU 242 CO 0.78 -0.21 1.02 0.00 0.02 0.00 0.00 175.26 176.87 3maj s ALA 243 N -0.91 -2.98 0.82 5.21 0.00 0.15 -1.45 121.76 122.60 3maj s ALA 243 Ca -0.10 1.81 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 3maj s ALA 243 Cb -0.03 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.94 3maj s ALA 243 CO 0.05 -1.14 1.11 0.00 0.00 0.00 0.00 175.76 175.78 3maj s ALA 244 N 2.60 2.22 0.25 0.00 0.00 -1.26 0.03 121.76 125.60 3maj s ALA 244 Ca -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 3maj s ALA 244 Cb -0.07 -3.07 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 3maj s ALA 244 CO -0.15 -1.81 1.07 0.66 0.00 0.00 0.00 175.76 175.53 3maj n TYR 245 N -3.47 1.30 -0.97 0.00 4.01 -1.26 -1.87 117.16 114.90 3maj n TYR 245 Ca 0.07 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 3maj n TYR 245 Cb 0.57 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 3maj n TYR 245 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3maj n ARG 246 N 1.12 -0.09 -1.80 -0.72 1.74 -1.26 -5.01 116.66 110.65 3maj n ARG 246 Ca 0.11 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3maj n ARG 246 Cb 0.30 -2.91 -0.02 0.00 -1.02 0.00 0.00 32.46 28.80 3maj n ARG 246 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3maj s SER 247 N -2.53 6.41 0.59 0.55 0.15 -0.78 -4.89 113.70 113.20 3maj s SER 247 Ca 0.00 2.90 0.30 0.00 0.70 0.00 0.00 55.95 59.85 3maj s SER 247 Cb 0.00 -2.63 1.78 0.00 -1.71 0.00 0.00 66.02 63.46 3maj s SER 247 CO 0.00 -0.90 2.20 1.23 1.20 0.00 0.00 173.24 176.97 3maj h GLY 248 N 5.18 0.00 2.00 9.45 0.00 -1.93 -2.20 103.07 115.58 3maj h GLY 248 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3maj h GLY 248 CO 0.82 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 178.73 3maj h SER 249 N 0.00 0.00 0.69 0.19 4.64 -1.90 -1.33 113.55 115.84 3maj h SER 249 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3maj h SER 249 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3maj h SER 249 CO -0.00 0.10 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.89 3maj h LEU 250 N 0.00 0.00 -0.25 5.97 3.38 -1.77 -2.26 115.31 120.38 3maj h LEU 250 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3maj h LEU 250 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3maj h LEU 250 CO 0.01 0.10 0.07 0.40 0.09 0.00 0.00 178.44 179.12 3maj h ILE 251 N 0.00 1.20 -0.85 1.22 2.04 -1.37 -1.06 117.51 118.69 3maj h ILE 251 Ca -0.00 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.30 3maj h ILE 251 Cb 0.48 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3maj h ILE 251 CO 0.01 0.21 0.50 0.74 0.00 0.00 0.00 178.15 179.61 3maj h THR 252 N 0.24 0.92 -0.66 -0.27 2.02 -1.42 -0.57 112.91 113.16 3maj h THR 252 Ca 0.08 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3maj h THR 252 Cb 0.26 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 3maj h THR 252 CO -0.00 0.15 0.34 0.00 0.37 0.00 0.00 175.52 176.38 3maj h ALA 253 N 1.47 0.86 -0.43 6.16 0.00 -1.18 0.01 119.26 126.13 3maj h ALA 253 Ca 0.41 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3maj h ALA 253 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3maj h ALA 253 CO -0.25 0.40 0.05 0.00 0.00 0.00 0.00 179.25 179.45 3maj h ARG 254 N 0.92 0.72 -0.73 0.00 3.08 -0.65 -1.13 114.38 116.58 3maj h ARG 254 Ca 0.23 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3maj h ARG 254 Cb 0.08 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3maj h ARG 254 CO -0.03 0.77 0.48 0.00 -1.07 0.00 0.00 179.97 180.11 3maj h ARG 255 N 0.58 0.93 -0.07 0.04 2.47 -0.95 -1.85 114.38 115.53 3maj h ARG 255 Ca 0.13 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3maj h ARG 255 Cb 0.41 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 3maj h ARG 255 CO 0.01 0.61 0.03 0.00 0.56 0.00 0.00 179.97 181.18 3maj h ALA 256 N 1.29 0.08 -0.28 0.04 0.00 -0.55 -0.91 119.26 118.92 3maj h ALA 256 Ca 0.28 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3maj h ALA 256 Cb -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3maj h ALA 256 CO -0.08 -0.44 0.10 0.00 0.00 0.00 0.00 179.25 178.82 3maj h ALA 257 N 1.04 0.32 -1.00 0.00 0.00 -1.14 -0.53 119.26 117.94 3maj h ALA 257 Ca 0.03 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3maj h ALA 257 Cb 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3maj h ALA 257 CO -0.03 -0.31 0.63 -0.44 0.00 0.00 0.00 179.25 179.10 3maj h ASP 258 N 0.22 0.89 1.14 0.00 3.32 -0.99 -1.93 116.42 119.07 3maj h ASP 258 Ca 0.12 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3maj h ASP 258 Cb 0.09 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3maj h ASP 258 CO -0.13 0.43 -0.03 0.00 -1.72 0.00 0.00 179.24 177.79 3maj n GLN 259 N -4.66 0.09 -0.60 3.56 6.02 -0.38 -4.93 117.38 116.49 3maj n GLN 259 Ca 0.20 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3maj n GLN 259 Cb 0.42 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3maj n GLN 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3maj n GLY 260 N 1.43 0.69 3.79 1.08 0.00 -0.56 -5.03 105.19 106.59 3maj n GLY 260 Ca 0.06 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3maj n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3maj s ARG 261 N -0.59 4.29 0.28 1.61 1.81 -0.32 -5.00 118.95 121.04 3maj s ARG 261 Ca 0.00 1.34 -0.29 0.00 -1.72 0.00 0.00 55.73 55.06 3maj s ARG 261 Cb 0.00 -2.51 -0.10 0.00 -0.45 0.00 0.00 34.95 31.90 3maj s ARG 261 CO 0.00 0.01 1.17 -2.00 -0.68 0.00 0.00 175.30 173.80 3maj s GLU 262 N -2.57 4.54 -0.14 3.54 2.12 -1.26 -4.23 118.70 120.70 3maj s GLU 262 Ca 0.57 1.93 -0.02 0.00 0.36 0.00 0.00 54.97 57.80 3maj s GLU 262 Cb -0.17 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3maj s GLU 262 CO 0.22 0.06 -0.07 0.08 -0.54 0.00 0.00 175.26 175.01 3maj s VAL 263 N -0.98 3.59 -0.01 3.70 1.01 -1.26 -1.62 120.40 124.84 3maj s VAL 263 Ca 0.47 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3maj s VAL 263 Cb -0.34 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3maj s VAL 263 CO 0.43 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.57 3maj s PHE 264 N 0.29 2.75 -0.00 5.22 0.08 0.39 -0.99 117.98 125.72 3maj s PHE 264 Ca -0.06 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.87 3maj s PHE 264 Cb -0.15 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3maj s PHE 264 CO 0.04 0.29 -0.01 0.00 -0.10 0.00 0.00 175.22 175.44 3maj s ALA 265 N -0.89 0.06 -0.08 5.36 0.00 -0.33 -0.19 121.76 125.68 3maj s ALA 265 Ca 0.15 -0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 3maj s ALA 265 Cb -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3maj s ALA 265 CO 0.05 0.01 0.63 0.08 0.00 0.00 0.00 175.76 176.53 3maj s VAL 266 N -0.04 5.09 0.77 0.00 1.01 -0.85 -1.29 120.40 125.09 3maj s VAL 266 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 3maj s VAL 266 Cb -0.00 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.46 3maj s VAL 266 CO -0.00 0.27 1.10 -2.16 0.00 0.00 0.00 175.10 174.31 3maj s PRO 267 N 0.75 2.30 0.34 2.72 0.04 -1.26 -4.63 135.00 135.26 3maj s PRO 267 Ca 0.34 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 3maj s PRO 267 Cb -0.17 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3maj s PRO 267 CO 0.16 -1.46 0.62 0.20 0.04 0.00 0.00 177.00 176.56 3maj s GLY 268 N -4.03 0.77 0.42 0.56 0.00 -1.26 -5.04 107.32 98.74 3maj s GLY 268 Ca 0.60 -1.02 -0.26 0.00 0.00 0.00 0.00 44.72 44.05 3maj s GLY 268 CO 0.54 -0.60 1.31 -0.45 0.00 0.00 0.00 173.10 173.90 3maj s SER 269 N -3.11 6.23 0.54 1.64 0.15 -1.26 -4.91 113.70 112.98 3maj s SER 269 Ca 0.22 2.67 0.27 0.00 0.70 0.00 0.00 55.95 59.81 3maj s SER 269 Cb -0.03 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 63.08 3maj s SER 269 CO 0.14 -0.91 1.98 -0.65 1.20 0.00 0.00 173.24 175.00 3maj h PRO 270 N 2.58 0.00 0.00 5.44 0.11 -2.01 -0.95 132.00 137.17 3maj h PRO 270 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3maj h PRO 270 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3maj h PRO 270 CO 0.62 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.30 3maj h LEU 271 N 0.00 0.00 -9.05 2.35 3.38 -2.00 -3.45 115.31 106.53 3maj h LEU 271 Ca 0.25 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 3maj h LEU 271 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3maj h LEU 271 CO -0.00 0.00 1.01 -0.62 0.09 0.00 0.00 178.44 178.92 3maj s ASP 272 N -5.19 6.65 0.49 -0.43 -1.08 -0.36 -4.90 116.67 111.85 3maj s ASP 272 Ca 0.09 1.54 0.26 0.00 -0.52 0.00 0.00 52.55 53.92 3maj s ASP 272 Cb 0.09 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.29 3maj s ASP 272 CO 0.63 -1.04 1.99 1.55 0.52 0.00 0.00 175.17 178.82 3maj h PRO 273 N 9.48 0.00 -0.02 4.34 0.13 -1.87 -1.76 132.00 142.29 3maj h PRO 273 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3maj h PRO 273 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3maj h PRO 273 CO 1.00 0.16 0.00 0.54 -0.23 0.00 0.00 178.00 179.47 3maj n ARG 274 N -3.57 1.23 0.00 0.86 1.74 -1.26 -3.00 116.66 112.66 3maj n ARG 274 Ca -0.01 -0.33 0.07 0.00 -0.77 0.00 0.00 57.85 56.80 3maj n ARG 274 Cb 0.30 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3maj n ARG 274 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3maj n ALA 275 N -0.55 2.85 -0.01 7.54 0.00 -0.67 -0.67 120.51 129.00 3maj n ALA 275 Ca 0.20 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3maj n ALA 275 Cb 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 3maj n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3maj h ALA 276 N 2.45 0.14 -0.21 0.00 0.00 -1.54 0.78 119.26 120.89 3maj h ALA 276 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3maj h ALA 276 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3maj h ALA 276 CO 0.00 -0.33 -0.23 0.78 0.00 0.00 0.00 179.25 179.47 3maj h GLY 277 N 0.10 0.57 0.94 0.00 0.00 -0.62 -1.95 103.07 102.12 3maj h GLY 277 Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3maj h GLY 277 CO -0.01 0.54 0.03 -0.91 0.00 0.00 0.00 176.54 176.19 3maj h THR 278 N 0.20 1.25 -0.96 4.70 1.35 -1.58 -1.25 112.91 116.62 3maj h THR 278 Ca 0.03 -0.96 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 3maj h THR 278 Cb 0.79 1.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.24 3maj h THR 278 CO 0.06 0.33 0.63 0.78 -0.25 0.00 0.00 175.52 177.06 3maj h ASN 279 N 0.53 1.12 -0.64 5.36 2.35 -0.88 -1.96 115.58 121.46 3maj h ASN 279 Ca 0.12 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3maj h ASN 279 Cb 0.43 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3maj h ASN 279 CO 0.02 0.82 0.11 -0.78 -1.65 0.00 0.00 177.43 175.94 3maj h ASP 280 N 1.31 1.02 -0.47 5.81 3.58 -1.18 -1.70 116.42 124.81 3maj h ASP 280 Ca 0.35 -0.24 0.07 0.00 0.42 0.00 0.00 57.03 57.63 3maj h ASP 280 Cb -0.13 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.59 3maj h ASP 280 CO -0.07 1.02 0.13 -0.07 -2.88 0.00 0.00 179.24 177.36 3maj h LEU 281 N 1.00 0.08 -0.23 2.28 3.38 -0.76 -1.07 115.31 120.00 3maj h LEU 281 Ca 0.20 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3maj h LEU 281 Cb 0.43 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3maj h LEU 281 CO 0.01 0.08 0.14 0.40 0.09 0.00 0.00 178.44 179.16 3maj h ILE 282 N 0.28 1.04 -0.96 1.22 2.04 -1.09 -0.28 117.51 119.75 3maj h ILE 282 Ca 0.23 -0.10 0.19 0.00 1.00 0.00 0.00 64.86 66.18 3maj h ILE 282 Cb 0.27 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 3maj h ILE 282 CO -0.27 0.05 0.61 0.11 0.00 0.00 0.00 178.15 178.66 3maj h LYS 283 N 0.29 0.62 -0.01 2.37 1.57 -0.66 -0.39 116.57 120.37 3maj h LYS 283 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3maj h LYS 283 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3maj h LYS 283 CO -0.03 0.41 -0.00 1.04 -0.57 0.00 0.00 179.45 180.30 3maj n GLN 284 N -4.64 1.40 0.00 3.15 1.13 -0.47 -4.92 117.38 113.03 3maj n GLN 284 Ca 0.21 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 3maj n GLN 284 Cb 0.61 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3maj n GLN 284 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3maj n GLY 285 N 1.11 0.96 3.78 1.08 0.00 -0.16 -5.06 105.19 106.89 3maj n GLY 285 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3maj n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maj s ALA 286 N -1.88 2.43 -0.16 4.61 0.00 -0.19 -4.96 121.76 121.60 3maj s ALA 286 Ca 0.00 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 3maj s ALA 286 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3maj s ALA 286 CO 0.00 -1.43 0.82 0.99 0.00 0.00 0.00 175.76 176.14 3maj s THR 287 N -2.65 4.90 0.05 0.00 2.01 -0.16 -4.44 115.64 115.34 3maj s THR 287 Ca 0.63 1.62 -0.31 0.00 0.31 0.00 0.00 61.69 63.95 3maj s THR 287 Cb -0.18 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 3maj s THR 287 CO 0.48 0.05 1.29 -0.22 -0.69 0.00 0.00 174.62 175.54 3maj s LEU 288 N 2.00 4.35 0.02 4.42 0.20 -1.26 -1.19 118.68 127.22 3maj s LEU 288 Ca 0.38 2.09 0.07 0.00 0.69 0.00 0.00 54.13 57.37 3maj s LEU 288 Cb -0.17 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.00 3maj s LEU 288 CO 0.13 -0.59 -0.21 0.27 -0.29 0.00 0.00 176.35 175.67 3maj s ILE 289 N 1.50 1.67 0.00 6.68 -4.36 -0.41 -4.89 121.20 121.39 3maj s ILE 289 Ca 0.61 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 3maj s ILE 289 Cb -0.31 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3maj s ILE 289 CO 0.28 0.30 0.38 0.35 0.24 0.00 0.00 174.94 176.48 3maj n THR 290 N 2.08 0.00 -3.67 8.37 -2.24 -1.26 -4.13 114.28 113.43 3maj n THR 290 Ca -0.16 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.08 3maj n THR 290 Cb 0.53 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 3maj n THR 290 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3maj s SER 291 N -0.23 -0.22 0.48 3.42 1.04 -1.26 -5.03 113.70 111.90 3maj s SER 291 Ca 0.00 -0.26 0.16 0.00 0.48 0.00 0.00 55.95 56.33 3maj s SER 291 Cb 0.00 0.42 1.16 0.00 0.10 0.00 0.00 66.02 67.70 3maj s SER 291 CO 0.00 -0.75 2.05 0.00 0.98 0.00 0.00 173.24 175.52 3maj h ALA 292 N 2.00 2.07 -0.11 5.32 0.00 -1.94 -2.26 119.26 124.33 3maj h ALA 292 Ca -0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3maj h ALA 292 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3maj h ALA 292 CO 0.27 -0.15 -0.01 0.66 0.00 0.00 0.00 179.25 180.02 3maj h SER 293 N 0.21 0.14 -0.56 0.00 4.64 -1.98 -0.73 113.55 115.28 3maj h SER 293 Ca 0.16 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3maj h SER 293 Cb 0.38 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3maj h SER 293 CO -0.03 0.19 0.15 0.44 -0.87 0.00 0.00 176.83 176.71 3maj h ASP 294 N 0.16 0.88 -0.05 4.97 3.32 -1.81 -0.28 116.42 123.61 3maj h ASP 294 Ca 0.04 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 3maj h ASP 294 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3maj h ASP 294 CO 0.00 0.85 -0.22 0.40 -1.72 0.00 0.00 179.24 178.56 3maj h ILE 295 N 0.90 1.45 -0.72 0.35 2.04 -1.35 -2.72 117.51 117.47 3maj h ILE 295 Ca 0.19 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.42 3maj h ILE 295 Cb 0.32 2.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3maj h ILE 295 CO -0.00 0.47 0.45 0.58 0.00 0.00 0.00 178.15 179.64 3maj h VAL 296 N -0.31 1.10 -0.56 1.67 2.07 -1.00 -0.77 116.25 118.46 3maj h VAL 296 Ca -0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3maj h VAL 296 Cb 0.87 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3maj h VAL 296 CO 0.05 0.16 0.15 -0.33 0.02 0.00 0.00 177.57 177.62 3maj h GLU 297 N 0.88 0.86 -0.39 1.57 5.08 -1.13 -1.48 114.58 119.97 3maj h GLU 297 Ca 0.29 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3maj h GLU 297 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3maj h GLU 297 CO -0.11 0.76 -0.26 0.00 -1.00 0.00 0.00 179.01 178.39 3maj h ALA 298 N 1.34 0.55 -0.00 3.43 0.00 -0.94 -3.30 119.26 120.33 3maj h ALA 298 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3maj h ALA 298 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3maj h ALA 298 CO -0.00 0.56 -0.65 1.33 0.00 0.00 0.00 179.25 180.48 3maj n VAL 299 N -4.18 0.00 -0.24 0.00 0.24 -0.40 -4.26 118.33 109.49 3maj n VAL 299 Ca -0.02 -0.03 0.01 0.00 -2.04 0.00 0.00 64.34 62.27 3maj n VAL 299 Cb 0.47 0.58 0.09 0.00 -1.47 0.00 0.00 33.84 33.51 3maj n VAL 299 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3maj h ALA 300 N 3.11 0.52 -0.31 2.33 0.00 -1.35 -0.61 119.26 122.95 3maj h ALA 300 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3maj h ALA 300 Cb 0.51 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3maj h ALA 300 CO 0.00 -0.42 -0.12 0.45 0.00 0.00 0.00 179.25 179.16 3maj n SER 301 N -5.44 -0.20 0.00 0.00 2.88 -1.26 -4.09 113.62 105.51 3maj n SER 301 Ca 0.10 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 3maj n SER 301 Cb 0.38 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3maj n SER 301 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3maj n ILE 302 N -4.46 0.00 -2.17 2.46 5.41 -0.31 -5.05 119.36 115.24 3maj n ILE 302 Ca 0.03 0.13 -0.42 0.00 1.00 0.00 0.00 62.75 63.49 3maj n ILE 302 Cb 0.13 -1.02 -0.03 0.00 -0.71 0.00 0.00 39.64 38.01 3maj n ILE 302 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3maj s LEU 303 N -3.64 4.31 0.00 1.39 1.43 -0.77 -4.79 118.68 116.61 3maj s LEU 303 Ca 0.00 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3maj s LEU 303 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3maj s LEU 303 CO 0.00 -0.78 0.00 1.21 0.23 0.00 0.00 176.35 177.01 3maj n GLU 320 N 5.84 0.00 -0.37 1.70 0.00 -1.26 -4.73 120.64 121.83 3maj n GLU 320 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.42 3maj n GLU 320 Cb 0.43 0.00 0.31 0.00 0.00 0.00 0.00 31.44 32.19 3maj n GLU 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3maj n GLY 321 N 1.84 2.54 3.68 8.31 0.00 -1.26 -4.66 105.19 115.63 3maj n GLY 321 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3maj n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3maj s GLU 322 N -1.03 4.32 0.22 1.61 2.02 -1.26 -4.07 118.70 120.51 3maj s GLU 322 Ca 0.48 1.61 -0.30 0.00 0.02 0.00 0.00 54.97 56.77 3maj s GLU 322 Cb 0.25 -3.62 -0.09 0.00 0.10 0.00 0.00 34.13 30.76 3maj s GLU 322 CO 0.32 -0.53 1.31 -2.14 0.02 0.00 0.00 175.26 174.25 3maj s PRO 323 N 2.66 4.38 0.60 0.39 0.02 -1.26 -4.94 135.00 136.86 3maj s PRO 323 Ca 0.53 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 3maj s PRO 323 Cb -0.22 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.16 3maj s PRO 323 CO 0.18 -0.24 0.88 -0.51 -0.33 0.00 0.00 177.00 176.98 3maj s ASP 324 N 0.20 5.29 -0.21 2.53 1.11 -1.26 -4.97 116.67 119.34 3maj s ASP 324 Ca 0.56 0.41 -0.38 0.00 0.18 0.00 0.00 52.55 53.32 3maj s ASP 324 Cb -0.37 -1.29 -0.14 0.00 1.07 0.00 0.00 42.92 42.19 3maj s ASP 324 CO 0.40 -1.22 1.83 0.41 1.18 0.00 0.00 175.17 177.77 3maj n THR 325 N -2.58 0.41 0.00 -1.27 -1.04 -1.26 -1.28 114.28 107.25 3maj n THR 325 Ca 0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3maj n THR 325 Cb 0.59 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 3maj n THR 325 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3maj n GLY 326 N 4.43 3.20 0.20 3.41 0.00 -1.26 -4.94 105.19 110.23 3maj n GLY 326 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 3maj n GLY 326 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3maj h ASP 327 N 0.05 -0.40 -0.50 1.61 3.32 -1.57 0.31 116.42 119.25 3maj h ASP 327 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3maj h ASP 327 Cb 0.00 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3maj h ASP 327 CO 0.00 -0.24 0.18 0.03 -1.72 0.00 0.00 179.24 177.49 3maj h ARG 328 N -0.37 0.35 -0.51 3.56 3.08 -1.93 -0.82 114.38 117.74 3maj h ARG 328 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3maj h ARG 328 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3maj h ARG 328 CO -0.01 0.23 0.23 1.15 -1.07 0.00 0.00 179.97 180.50 3maj h THR 329 N 0.36 1.20 -0.43 2.04 2.02 -1.87 -1.64 112.91 114.60 3maj h THR 329 Ca 0.24 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 3maj h THR 329 Cb 0.24 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3maj h THR 329 CO -0.24 0.23 -0.09 0.03 0.37 0.00 0.00 175.52 175.83 3maj h ARG 330 N 0.69 0.77 -0.05 6.66 3.08 -0.53 -2.01 114.38 122.97 3maj h ARG 330 Ca 0.17 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3maj h ARG 330 Cb 0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3maj h ARG 330 CO -0.02 0.84 -0.02 0.82 -1.07 0.00 0.00 179.97 180.52 3maj h ILE 331 N 0.70 1.31 -0.95 2.04 1.08 -1.00 -2.94 117.51 117.75 3maj h ILE 331 Ca 0.12 -0.97 0.16 0.00 -0.39 0.00 0.00 64.86 63.79 3maj h ILE 331 Cb 0.56 1.85 -0.10 0.00 -3.07 0.00 0.00 36.82 36.06 3maj h ILE 331 CO 0.03 0.26 0.56 0.25 -0.69 0.00 0.00 178.15 178.56 3maj h LEU 332 N -0.25 0.73 -1.41 1.44 5.85 -1.25 -1.05 115.31 119.36 3maj h LEU 332 Ca 0.01 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3maj h LEU 332 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3maj h LEU 332 CO 0.01 0.30 -0.26 0.00 -0.34 0.00 0.00 178.44 178.14 3maj h ALA 333 N 1.60 1.52 -0.00 1.25 0.00 -1.31 -2.15 119.26 120.16 3maj h ALA 333 Ca 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3maj h ALA 333 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3maj h ALA 333 CO -0.35 0.36 -0.15 1.28 0.00 0.00 0.00 179.25 180.38 3maj n LEU 334 N -4.21 0.18 -4.94 0.00 4.77 -0.42 -4.85 117.00 107.52 3maj n LEU 334 Ca -0.02 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 3maj n LEU 334 Cb 0.32 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3maj n LEU 334 CO 0.38 0.04 0.31 -0.76 -1.33 0.00 0.00 177.39 176.03 3maj s LEU 335 N -2.95 3.71 0.00 2.23 1.43 -0.81 -5.02 118.68 117.27 3maj s LEU 335 Ca 0.15 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3maj s LEU 335 Cb 0.19 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3maj s LEU 335 CO 0.57 -0.60 0.26 0.61 0.23 0.00 0.00 176.35 177.43 3maj n GLY 336 N -2.08 0.86 0.11 -3.19 0.00 -1.26 -4.93 105.19 94.70 3maj n GLY 336 Ca -0.00 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.20 3maj n GLY 336 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3maj n PRO 337 N -0.19 0.16 -3.90 1.61 -0.01 -1.26 -1.88 135.00 129.53 3maj n PRO 337 Ca 0.00 0.42 -0.35 0.00 -0.01 0.00 0.00 63.50 63.57 3maj n PRO 337 Cb 0.13 -1.82 -0.10 0.00 -0.01 0.00 0.00 33.50 31.71 3maj n PRO 337 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3maj s SER 338 N -4.01 5.72 0.34 2.55 1.04 -1.26 -4.84 113.70 113.24 3maj s SER 338 Ca 0.04 0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.26 3maj s SER 338 Cb 0.09 -2.00 -0.12 0.00 0.10 0.00 0.00 66.02 64.09 3maj s SER 338 CO 0.34 0.14 1.41 -2.65 0.98 0.00 0.00 173.24 173.46 3maj n PRO 339 N 3.79 2.37 -4.19 4.02 -0.02 -1.26 -4.78 135.00 134.93 3maj n PRO 339 Ca -0.16 0.84 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 3maj n PRO 339 Cb 0.52 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 3maj n PRO 339 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3maj s VAL 340 N -0.84 1.03 0.42 -1.45 -7.23 -0.21 -4.84 120.40 107.27 3maj s VAL 340 Ca 0.57 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3maj s VAL 340 Cb -0.54 -1.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.91 3maj s VAL 340 CO 0.60 -0.52 0.89 -0.83 -0.31 0.00 0.00 175.10 174.93 3maj s GLY 341 N -2.44 2.30 0.36 2.32 0.00 -1.26 -0.64 107.32 107.96 3maj s GLY 341 Ca 0.06 0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.08 3maj s GLY 341 CO 0.01 0.50 1.98 -2.22 0.00 0.00 0.00 173.10 173.37 3maj h ILE 342 N 1.73 1.07 -0.61 0.90 5.03 -1.94 -1.48 117.51 122.21 3maj h ILE 342 Ca -0.48 -0.27 0.12 0.00 -0.12 0.00 0.00 64.86 64.11 3maj h ILE 342 Cb 1.18 0.21 -0.09 0.00 -3.03 0.00 0.00 36.82 35.09 3maj h ILE 342 CO 0.62 0.14 0.09 0.44 -0.68 0.00 0.00 178.15 178.76 3maj h ASP 343 N 0.78 -0.09 -0.51 1.72 5.19 -1.93 -1.76 116.42 119.82 3maj h ASP 343 Ca 0.28 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.78 3maj h ASP 343 Cb 0.14 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3maj h ASP 343 CO -0.09 -0.04 0.14 0.44 -3.12 0.00 0.00 179.24 176.58 3maj h ASP 344 N 0.21 0.76 -0.60 6.45 3.32 -1.67 -1.18 116.42 123.71 3maj h ASP 344 Ca 0.32 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3maj h ASP 344 Cb 0.50 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3maj h ASP 344 CO -0.45 0.79 0.22 -0.07 -1.72 0.00 0.00 179.24 178.01 3maj h LEU 345 N 0.71 0.85 0.23 1.55 3.38 -1.03 0.35 115.31 121.34 3maj h LEU 345 Ca 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3maj h LEU 345 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3maj h LEU 345 CO -0.00 0.80 -0.11 0.40 0.09 0.00 0.00 178.44 179.62 3maj h ILE 346 N 0.84 0.82 -0.79 1.22 2.04 -1.17 -0.99 117.51 119.48 3maj h ILE 346 Ca 0.20 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3maj h ILE 346 Cb 0.23 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3maj h ILE 346 CO -0.01 0.06 0.46 -0.09 0.00 0.00 0.00 178.15 178.57 3maj h ARG 347 N -0.45 0.78 0.00 2.37 2.43 -1.12 0.35 114.38 118.74 3maj h ARG 347 Ca -0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3maj h ARG 347 Cb 0.34 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3maj h ARG 347 CO 0.05 0.52 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.71 3maj h LEU 348 N 0.81 0.00 0.00 3.80 3.38 -0.86 -3.38 115.31 119.06 3maj h LEU 348 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 3maj h LEU 348 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3maj h LEU 348 CO -0.21 0.14 -1.52 -1.54 0.09 0.00 0.00 178.44 175.40 3maj n SER 349 N -3.09 2.72 0.00 -0.43 3.41 -0.38 -4.21 113.62 111.63 3maj n SER 349 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3maj n SER 349 Cb 0.59 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 3maj n SER 349 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3maj n GLY 350 N 2.11 1.75 3.75 5.00 0.00 0.10 -4.51 105.19 113.39 3maj n GLY 350 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3maj n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3maj s ILE 351 N -3.39 3.37 0.50 -0.61 1.01 -1.26 -3.44 121.20 117.38 3maj s ILE 351 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 3maj s ILE 351 Cb 0.00 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 3maj s ILE 351 CO 0.00 0.25 1.02 -1.54 0.00 0.00 0.00 174.94 174.66 3maj n SER 352 N 1.81 1.19 -0.25 3.58 3.41 -1.26 -4.60 113.62 117.49 3maj n SER 352 Ca 0.02 0.94 0.06 0.00 -0.26 0.00 0.00 58.87 59.62 3maj n SER 352 Cb 0.44 -1.39 0.17 0.00 -0.26 0.00 0.00 64.21 63.18 3maj n SER 352 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3maj h PRO 353 N 1.13 0.19 -0.92 4.33 0.11 -1.94 -1.94 132.00 132.96 3maj h PRO 353 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3maj h PRO 353 Cb 1.34 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3maj h PRO 353 CO 0.54 0.13 0.60 0.00 -0.21 0.00 0.00 178.00 179.06 3maj h ALA 354 N 1.65 1.19 -0.22 -0.75 0.00 -1.90 -1.38 119.26 117.86 3maj h ALA 354 Ca 0.42 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 3maj h ALA 354 Cb 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3maj h ALA 354 CO -0.57 0.50 -0.47 0.28 0.00 0.00 0.00 179.25 178.99 3maj h VAL 355 N 1.19 1.31 -0.54 0.00 2.07 -1.55 -2.11 116.25 116.61 3maj h VAL 355 Ca 0.35 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3maj h VAL 355 Cb -0.05 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3maj h VAL 355 CO -0.10 0.53 0.34 0.58 0.02 0.00 0.00 177.57 178.94 3maj h VAL 356 N 0.42 1.15 -0.82 2.57 2.07 -1.26 -1.50 116.25 118.87 3maj h VAL 356 Ca 0.00 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3maj h VAL 356 Cb 1.08 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3maj h VAL 356 CO 0.10 0.15 0.54 0.03 0.02 0.00 0.00 177.57 178.41 3maj h ARG 357 N 0.73 1.04 -0.42 1.57 3.08 -1.19 -1.43 114.38 117.76 3maj h ARG 357 Ca 0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3maj h ARG 357 Cb -0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 3maj h ARG 357 CO -0.04 0.69 0.24 1.15 -1.07 0.00 0.00 179.97 180.94 3maj h THR 358 N 1.07 1.15 -0.37 2.04 2.02 -1.01 -1.08 112.91 116.74 3maj h THR 358 Ca 0.31 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3maj h THR 358 Cb -0.07 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3maj h THR 358 CO -0.09 0.15 0.16 0.40 0.37 0.00 0.00 175.52 176.52 3maj h ILE 359 N 0.55 1.18 -0.48 3.11 2.04 -0.92 -0.29 117.51 122.70 3maj h ILE 359 Ca 0.15 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3maj h ILE 359 Cb 0.03 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3maj h ILE 359 CO -0.03 0.19 -0.01 -0.07 0.00 0.00 0.00 178.15 178.23 3maj h LEU 360 N 0.45 0.77 -0.73 1.44 3.38 -1.15 -0.85 115.31 118.62 3maj h LEU 360 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3maj h LEU 360 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3maj h LEU 360 CO -0.01 0.85 0.30 -0.07 0.09 0.00 0.00 178.44 179.60 3maj h LEU 361 N 0.75 0.99 -0.26 1.67 3.38 -0.88 -0.12 115.31 120.84 3maj h LEU 361 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3maj h LEU 361 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3maj h LEU 361 CO 0.02 0.88 0.15 -0.33 0.09 0.00 0.00 178.44 179.26 3maj h GLU 362 N 1.04 0.35 -0.48 1.13 5.08 -0.49 -2.64 114.58 118.56 3maj h GLU 362 Ca 0.24 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3maj h GLU 362 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3maj h GLU 362 CO -0.02 0.29 0.20 -0.07 -1.00 0.00 0.00 179.01 178.42 3maj h LEU 363 N 0.32 0.65 -0.27 1.33 3.38 -0.97 -2.38 115.31 117.37 3maj h LEU 363 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3maj h LEU 363 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3maj h LEU 363 CO -0.02 0.63 0.12 -0.08 0.09 0.00 0.00 178.44 179.18 3maj h GLU 364 N 0.63 0.41 -0.41 1.13 4.81 -0.92 0.14 114.58 120.37 3maj h GLU 364 Ca 0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3maj h GLU 364 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3maj h GLU 364 CO -0.02 0.42 0.00 1.47 -0.73 0.00 0.00 179.01 180.16 3maj n LEU 365 N -4.77 2.78 -0.34 1.64 -0.00 -1.01 -0.84 117.00 114.46 3maj n LEU 365 Ca -0.02 -1.28 0.14 0.00 -0.00 0.00 0.00 56.01 54.84 3maj n LEU 365 Cb 0.12 -0.27 0.46 0.00 -0.00 0.00 0.00 43.42 43.74 3maj n LEU 365 CO 0.36 0.64 0.77 0.00 -0.00 0.00 0.00 177.39 179.15 3maj n ALA 366 N 1.03 2.84 -0.71 1.47 0.00 -0.90 -4.97 120.51 119.27 3maj n ALA 366 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3maj n ALA 366 Cb 0.47 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3maj n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maj n GLY 367 N 1.26 0.63 0.75 0.00 0.00 -0.02 -4.95 105.19 102.86 3maj n GLY 367 Ca 0.15 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3maj n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3maj n ARG 368 N -2.71 1.85 -5.23 1.61 1.74 0.47 -4.94 116.66 109.45 3maj n ARG 368 Ca 0.00 -1.53 -0.31 0.00 -0.77 0.00 0.00 57.85 55.24 3maj n ARG 368 Cb 0.00 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 3maj n ARG 368 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3maj s LEU 369 N -2.10 2.05 -0.18 0.55 2.96 -1.18 -4.58 118.68 116.20 3maj s LEU 369 Ca 0.23 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 3maj s LEU 369 Cb 0.18 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3maj s LEU 369 CO 0.39 0.26 0.03 -0.70 -1.32 0.00 0.00 176.35 175.01 3maj s GLU 370 N -0.32 3.85 -0.23 1.98 2.12 -0.39 -4.75 118.70 120.97 3maj s GLU 370 Ca 0.02 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 3maj s GLU 370 Cb -0.12 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 3maj s GLU 370 CO 0.02 0.24 0.07 0.50 -0.54 0.00 0.00 175.26 175.55 3maj s ARG 371 N 0.43 3.77 0.46 4.30 3.52 -1.26 -1.45 118.95 128.72 3maj s ARG 371 Ca 0.01 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3maj s ARG 371 Cb -0.13 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 3maj s ARG 371 CO 0.01 -0.03 0.46 0.72 -0.81 0.00 0.00 175.30 175.65 3maj n HIS 372 N 4.46 -1.39 -1.90 5.12 8.25 0.16 -5.02 115.22 124.91 3maj n HIS 372 Ca -0.16 -1.84 -0.41 0.00 -0.26 0.00 0.00 57.72 55.05 3maj n HIS 372 Cb 0.52 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 3maj n HIS 372 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3maj s GLY 373 N -3.90 2.83 -0.87 -1.41 0.00 -1.26 -3.96 107.32 98.75 3maj s GLY 373 Ca 0.35 1.47 -0.01 0.00 0.00 0.00 0.00 44.72 46.53 3maj s GLY 373 CO 0.22 2.20 0.73 0.61 0.00 0.00 0.00 173.10 176.86 3maj n GLY 374 N 0.84 -0.11 2.32 0.20 0.00 -1.26 -3.61 105.19 103.57 3maj n GLY 374 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3maj n GLY 374 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3maj n SER 375 N -2.31 -4.29 -4.72 1.61 2.88 -1.25 -5.00 113.62 100.54 3maj n SER 375 Ca -0.16 0.21 -0.35 0.00 -1.33 0.00 0.00 58.87 57.24 3maj n SER 375 Cb 0.60 -3.05 -0.09 0.00 -0.75 0.00 0.00 64.21 60.93 3maj n SER 375 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3maj s LEU 376 N -2.98 3.83 0.07 2.46 1.43 -1.24 -3.28 118.68 118.97 3maj s LEU 376 Ca 0.00 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3maj s LEU 376 Cb 0.00 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3maj s LEU 376 CO 0.00 0.34 -0.15 0.68 0.23 0.00 0.00 176.35 177.46 3maj s VAL 377 N -0.66 1.15 0.10 -1.59 -7.23 0.18 0.40 120.40 112.76 3maj s VAL 377 Ca 0.11 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 3maj s VAL 377 Cb -0.12 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 3maj s VAL 377 CO 0.02 -0.17 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.13 3maj s SER 378 N -1.64 1.28 0.00 4.85 0.01 -0.53 -1.04 113.70 116.63 3maj s SER 378 Ca -0.01 -0.96 0.13 0.00 1.31 0.00 0.00 55.95 56.42 3maj s SER 378 Cb -0.10 0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.30 3maj s SER 378 CO 0.02 -0.40 0.91 0.00 0.41 0.00 0.00 173.24 174.18