#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n GLU 4 N 0.00 0.00 0.00 3.49 0.00 -1.26 -4.92 120.64 117.95 1twh n GLU 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1twh n GLU 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1twh n GLU 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1twh n GLY 5 N 0.00 0.24 3.66 8.31 0.00 -1.26 -5.12 105.19 111.02 1twh n GLY 5 Ca 0.00 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1twh n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1twh s PRO 6 N 0.00 4.22 0.15 1.61 0.02 -1.15 -4.79 135.00 135.06 1twh s PRO 6 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 61.00 62.84 1twh s PRO 6 Cb 0.00 -3.81 -0.04 0.00 0.02 0.00 0.00 34.50 30.67 1twh s PRO 6 CO 0.00 -0.73 0.13 -0.65 -0.33 0.00 0.00 177.00 175.41 1twh s GLN 7 N 3.59 2.90 0.33 5.54 -1.52 -0.33 -4.93 119.66 125.25 1twh s GLN 7 Ca 0.59 -0.84 0.04 0.00 -1.95 0.00 0.00 55.36 53.19 1twh s GLN 7 Cb -0.24 -2.66 -0.06 0.00 -0.22 0.00 0.00 33.01 29.83 1twh s GLN 7 CO 0.18 0.50 0.07 0.08 -0.25 0.00 0.00 175.29 175.86 1twh s VAL 8 N -1.70 1.08 -0.26 1.09 1.01 -1.26 -1.70 120.40 118.66 1twh s VAL 8 Ca 0.31 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1twh s VAL 8 Cb -0.10 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1twh s VAL 8 CO 0.23 0.00 0.95 1.17 0.00 0.00 0.00 175.10 177.45 1twh n LYS 9 N -0.70 0.07 -0.92 2.72 4.81 -1.17 -4.93 118.16 118.05 1twh n LYS 9 Ca -0.03 -0.49 -0.29 0.00 -0.87 0.00 0.00 58.31 56.63 1twh n LYS 9 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.72 1twh n LYS 9 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1twh n ILE 10 N -0.44 0.36 -0.27 3.15 2.08 -1.26 -3.66 119.36 119.31 1twh n ILE 10 Ca -0.26 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 62.70 1twh n ILE 10 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 1twh n ILE 10 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1twh n ARG 11 N 0.98 1.21 -3.52 0.38 1.74 -0.95 -4.95 116.66 111.54 1twh n ARG 11 Ca 0.07 -0.06 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1twh n ARG 11 Cb 0.30 -0.36 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 1twh n ARG 11 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1twh s GLU 12 N -0.19 0.91 -0.10 5.56 2.12 -1.20 -4.94 118.70 120.87 1twh s GLU 12 Ca 0.00 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1twh s GLU 12 Cb 0.00 0.40 0.11 0.00 0.26 0.00 0.00 34.13 34.91 1twh s GLU 12 CO 0.00 -0.40 0.94 0.00 -0.54 0.00 0.00 175.26 175.26 1twh s ALA 13 N -3.21 -1.88 0.13 6.30 0.00 -1.26 -2.59 121.76 119.24 1twh s ALA 13 Ca 0.05 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 1twh s ALA 13 Cb -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.96 1twh s ALA 13 CO -0.08 -0.46 1.09 -1.54 0.00 0.00 0.00 175.76 174.77 1twh s SER 14 N -1.65 -0.03 0.49 0.00 1.04 -0.84 -4.92 113.70 107.79 1twh s SER 14 Ca 0.00 -0.50 0.28 0.00 0.48 0.00 0.00 55.95 56.21 1twh s SER 14 Cb -0.01 0.41 0.82 0.00 0.10 0.00 0.00 66.02 67.34 1twh s SER 14 CO -0.02 -0.80 1.78 0.11 0.98 0.00 0.00 173.24 175.29 1twh h LYS 15 N 2.00 0.00 0.00 4.02 1.79 -2.02 -3.33 116.57 119.02 1twh h LYS 15 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1twh h LYS 15 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1twh h LYS 15 CO 0.33 0.00 -0.91 -0.25 -1.08 0.00 0.00 179.45 177.54 1twh n ASP 16 N -3.09 4.55 -3.96 0.86 9.92 -1.26 -4.13 116.55 119.45 1twh n ASP 16 Ca 0.02 -0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1twh n ASP 16 Cb 0.42 0.97 -0.05 0.00 -0.64 0.00 0.00 41.12 41.83 1twh n ASP 16 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1twh s ASN 17 N -1.88 -0.13 -0.30 -2.24 0.01 -1.25 -0.94 114.94 108.20 1twh s ASN 17 Ca 0.00 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 1twh s ASN 17 Cb 0.00 0.61 0.19 0.00 0.41 0.00 0.00 41.25 42.46 1twh s ASN 17 CO 0.00 -1.17 0.61 -0.69 -1.51 0.00 0.00 177.10 174.33 1twh s VAL 18 N -3.99 -0.98 -0.06 1.60 1.01 -1.14 -1.98 120.40 114.85 1twh s VAL 18 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1twh s VAL 18 Cb -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1twh s VAL 18 CO 0.08 0.00 0.21 -0.62 0.00 0.00 0.00 175.10 174.77 1twh s ASP 19 N 2.85 6.46 0.03 3.32 -1.08 -1.07 -2.97 116.67 124.21 1twh s ASP 19 Ca 0.17 0.53 -0.00 0.00 -0.52 0.00 0.00 52.55 52.73 1twh s ASP 19 Cb -0.13 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1twh s ASP 19 CO -0.22 0.34 0.04 2.22 0.52 0.00 0.00 175.17 178.06 1twh n PHE 20 N 1.59 -0.45 -4.00 -5.34 1.16 -1.17 -2.24 117.46 107.01 1twh n PHE 20 Ca -0.16 -0.20 -0.20 0.00 -1.87 0.00 0.00 57.45 55.03 1twh n PHE 20 Cb 0.54 0.04 -0.17 0.00 -1.61 0.00 0.00 39.48 38.28 1twh n PHE 20 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1twh s ILE 21 N -2.41 0.39 0.33 1.97 1.01 -1.24 -2.85 121.20 118.40 1twh s ILE 21 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1twh s ILE 21 Cb -0.00 -0.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 1twh s ILE 21 CO 0.02 0.21 0.65 -0.76 0.00 0.00 0.00 174.94 175.06 1twh s LEU 22 N 1.21 3.97 -0.26 2.97 1.43 -1.08 -3.04 118.68 123.88 1twh s LEU 22 Ca -0.07 0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 53.70 1twh s LEU 22 Cb -0.14 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.41 1twh s LEU 22 CO -0.02 -0.27 0.83 -0.94 0.23 0.00 0.00 176.35 176.19 1twh s SER 23 N -3.06 -0.64 -1.10 2.29 1.04 -0.69 -1.97 113.70 109.57 1twh s SER 23 Ca 0.48 1.20 -0.20 0.00 0.48 0.00 0.00 55.95 57.91 1twh s SER 23 Cb -0.11 1.21 -0.00 0.00 0.10 0.00 0.00 66.02 67.22 1twh s SER 23 CO 0.29 -0.23 0.77 -3.20 0.98 0.00 0.00 173.24 171.85 1twh n ASN 24 N 2.42 -5.35 -4.00 7.02 5.15 -0.53 -1.18 115.26 118.79 1twh n ASN 24 Ca -0.14 -0.99 -0.10 0.00 -0.60 0.00 0.00 54.58 52.75 1twh n ASN 24 Cb 0.55 -3.23 -0.07 0.00 -0.53 0.00 0.00 39.78 36.51 1twh n ASN 24 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1twh s VAL 25 N -3.42 0.04 0.31 3.44 1.01 -1.23 -2.96 120.40 117.60 1twh s VAL 25 Ca 0.43 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 1twh s VAL 25 Cb -0.16 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 1twh s VAL 25 CO 0.87 -0.18 0.70 -1.81 0.00 0.00 0.00 175.10 174.68 1twh s ASP 26 N -3.01 6.73 0.43 3.32 1.11 -1.26 -4.25 116.67 119.73 1twh s ASP 26 Ca 0.22 1.20 0.26 0.00 0.18 0.00 0.00 52.55 54.41 1twh s ASP 26 Cb 0.03 -2.34 1.30 0.00 1.07 0.00 0.00 42.92 42.98 1twh s ASP 26 CO 0.04 -0.20 1.69 0.25 1.18 0.00 0.00 175.17 178.14 1twh h LEU 27 N 2.23 0.31 -0.59 1.23 5.85 -1.95 -0.73 115.31 121.67 1twh h LEU 27 Ca -0.48 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 1twh h LEU 27 Cb 1.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1twh h LEU 27 CO 0.66 -0.06 -0.18 0.00 -0.34 0.00 0.00 178.44 178.51 1twh h ALA 28 N 1.59 0.78 -0.25 1.25 0.00 -1.95 0.14 119.26 120.83 1twh h ALA 28 Ca 0.72 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1twh h ALA 28 Cb 2.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1twh h ALA 28 CO -0.35 0.66 -0.49 1.98 0.00 0.00 0.00 179.25 181.05 1twh h MET 29 N 0.82 0.69 -0.33 0.00 1.85 -1.83 0.27 114.93 116.39 1twh h MET 29 Ca 0.12 -0.41 0.05 0.00 -0.61 0.00 0.00 59.70 58.85 1twh h MET 29 Cb 0.74 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.75 1twh h MET 29 CO 0.06 1.03 0.04 0.00 -0.40 0.00 0.00 176.91 177.63 1twh h ALA 30 N 0.90 0.33 -0.22 0.39 0.00 -0.01 -1.05 119.26 119.60 1twh h ALA 30 Ca 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1twh h ALA 30 Cb 1.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1twh h ALA 30 CO 0.10 -0.37 -0.32 -0.97 0.00 0.00 0.00 179.25 177.70 1twh h ASN 31 N 0.14 0.66 -0.67 0.00 -1.24 -1.02 -1.17 115.58 112.28 1twh h ASN 31 Ca 0.16 -0.51 0.19 0.00 0.71 0.00 0.00 56.30 56.85 1twh h ASN 31 Cb 0.20 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 1twh h ASN 31 CO -0.24 1.04 0.48 0.28 -1.29 0.00 0.00 177.43 177.71 1twh h SER 32 N 0.30 0.01 0.01 1.15 0.02 -0.12 0.27 113.55 115.19 1twh h SER 32 Ca 0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1twh h SER 32 Cb 0.90 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1twh h SER 32 CO 0.07 0.00 -0.26 0.25 -1.14 0.00 0.00 176.83 175.76 1twh h LEU 33 N 0.01 0.22 -1.07 5.07 5.85 0.03 0.04 115.31 125.46 1twh h LEU 33 Ca 0.32 -0.81 0.33 0.00 0.84 0.00 0.00 57.88 58.56 1twh h LEU 33 Cb 1.26 -0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 1twh h LEU 33 CO -0.01 1.00 0.61 -0.09 -0.34 0.00 0.00 178.44 179.61 1twh h ARG 34 N -0.54 0.29 0.02 1.25 2.43 -1.00 0.61 114.38 117.44 1twh h ARG 34 Ca -0.04 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1twh h ARG 34 Cb 1.05 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1twh h ARG 34 CO 0.05 0.19 -0.97 0.00 -1.51 0.00 0.00 179.97 177.73 1twh h ARG 35 N 0.30 0.32 -0.09 0.20 3.08 0.14 -1.37 114.38 116.96 1twh h ARG 35 Ca 0.74 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 60.28 1twh h ARG 35 Cb 1.77 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 1twh h ARG 35 CO -0.57 1.08 -0.54 0.28 -1.07 0.00 0.00 179.97 179.15 1twh h VAL 36 N 0.17 1.36 -0.59 2.04 2.07 0.19 0.80 116.25 122.29 1twh h VAL 36 Ca -0.08 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1twh h VAL 36 Cb 1.62 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1twh h VAL 36 CO 0.16 0.54 0.19 0.24 0.02 0.00 0.00 177.57 178.72 1twh h MET 37 N 0.20 0.91 -0.76 1.57 2.86 0.69 0.21 114.93 120.61 1twh h MET 37 Ca 0.00 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1twh h MET 37 Cb 1.02 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1twh h MET 37 CO 0.08 0.81 0.31 0.82 1.06 0.00 0.00 176.91 180.00 1twh h ILE 38 N 0.83 1.25 0.00 -1.22 2.04 -0.88 -3.40 117.51 116.13 1twh h ILE 38 Ca 0.19 -0.79 -0.22 0.00 1.00 0.00 0.00 64.86 65.05 1twh h ILE 38 Cb 0.28 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1twh h ILE 38 CO -0.01 0.32 -1.82 0.00 0.00 0.00 0.00 178.15 176.64 1twh n ALA 39 N -2.42 1.70 -1.17 1.87 0.00 0.27 -4.75 120.51 116.02 1twh n ALA 39 Ca 0.06 -0.73 0.09 0.00 0.00 0.00 0.00 53.44 52.86 1twh n ALA 39 Cb 0.18 0.06 0.17 0.00 0.00 0.00 0.00 19.45 19.85 1twh n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1twh n GLU 40 N -2.61 1.54 -2.74 0.00 1.02 -0.57 -2.14 120.64 115.14 1twh n GLU 40 Ca -0.22 -2.76 -0.43 0.00 -0.02 0.00 0.00 57.16 53.73 1twh n GLU 40 Cb 0.85 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 1twh n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1twh s ILE 41 N -2.95 4.56 0.72 -3.67 1.01 -1.24 -4.98 121.20 114.65 1twh s ILE 41 Ca 0.35 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 62.31 1twh s ILE 41 Cb 0.31 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.46 1twh s ILE 41 CO 0.02 -0.49 1.18 -2.84 0.00 0.00 0.00 174.94 172.81 1twh s PRO 42 N 3.52 2.25 0.29 2.79 0.02 -1.26 -4.71 135.00 137.91 1twh s PRO 42 Ca 0.41 1.66 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 1twh s PRO 42 Cb -0.12 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1twh s PRO 42 CO 0.17 -1.73 0.70 0.99 -0.33 0.00 0.00 177.00 176.80 1twh s THR 43 N -2.10 0.00 0.04 0.99 2.01 -0.53 -4.94 115.64 111.10 1twh s THR 43 Ca 0.72 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 61.72 1twh s THR 43 Cb -0.27 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1twh s THR 43 CO 0.45 0.00 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.03 1twh s LEU 44 N -2.96 2.88 -0.16 4.42 2.96 -1.26 -1.52 118.68 123.04 1twh s LEU 44 Ca 0.13 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 1twh s LEU 44 Cb -0.05 -1.68 0.11 0.00 0.50 0.00 0.00 46.19 45.08 1twh s LEU 44 CO 0.08 0.26 0.93 0.00 -1.32 0.00 0.00 176.35 176.30 1twh s ALA 45 N -0.99 -1.90 0.04 5.97 0.00 -0.34 -4.27 121.76 120.27 1twh s ALA 45 Ca 0.16 1.59 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 1twh s ALA 45 Cb -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 1twh s ALA 45 CO 0.07 -0.31 1.28 0.42 0.00 0.00 0.00 175.76 177.22 1twh s ILE 46 N -0.88 3.84 -0.05 0.00 1.09 -1.26 -1.57 121.20 122.37 1twh s ILE 46 Ca -0.03 1.29 0.09 0.00 -1.10 0.00 0.00 60.65 60.90 1twh s ILE 46 Cb -0.01 -3.83 0.16 0.00 -1.06 0.00 0.00 42.46 37.72 1twh s ILE 46 CO 0.02 0.06 1.08 -0.67 -0.10 0.00 0.00 174.94 175.33 1twh n ASP 47 N 4.42 0.91 -3.61 3.58 2.03 -0.83 -4.31 116.55 118.74 1twh n ASP 47 Ca 0.11 -2.44 -0.15 0.00 0.52 0.00 0.00 54.79 52.83 1twh n ASP 47 Cb 0.45 -0.30 -0.07 0.00 -0.72 0.00 0.00 41.12 40.48 1twh n ASP 47 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1twh s SER 48 N -1.80 -0.71 -0.15 1.67 0.15 -1.19 -4.96 113.70 106.71 1twh s SER 48 Ca 0.15 1.23 -0.07 0.00 0.70 0.00 0.00 55.95 57.97 1twh s SER 48 Cb 0.15 1.21 0.06 0.00 -1.71 0.00 0.00 66.02 65.73 1twh s SER 48 CO -0.01 -0.33 0.34 -0.69 1.20 0.00 0.00 173.24 173.74 1twh s VAL 49 N -0.02 -0.27 -0.09 4.45 1.01 -1.26 0.32 120.40 124.55 1twh s VAL 49 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1twh s VAL 49 Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1twh s VAL 49 CO 0.03 0.07 -0.09 -1.61 0.00 0.00 0.00 175.10 173.50 1twh s GLU 50 N 1.90 2.93 -0.26 2.72 8.01 -0.31 -4.94 118.70 128.75 1twh s GLU 50 Ca -0.05 -0.60 -0.04 0.00 0.01 0.00 0.00 54.97 54.29 1twh s GLU 50 Cb -0.11 -2.59 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 1twh s GLU 50 CO -0.11 0.52 -0.01 0.08 0.01 0.00 0.00 175.26 175.75 1twh s VAL 51 N -0.42 3.34 -0.13 2.63 1.01 -1.26 -1.79 120.40 123.78 1twh s VAL 51 Ca 0.06 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1twh s VAL 51 Cb -0.12 -2.68 -0.27 0.00 0.00 0.00 0.00 36.38 33.32 1twh s VAL 51 CO 0.02 0.20 0.77 -0.08 0.00 0.00 0.00 175.10 176.01 1twh h GLU 52 N 8.11 0.04 -3.40 2.72 4.81 -1.54 -3.47 114.58 121.85 1twh h GLU 52 Ca -0.34 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.65 1twh h GLU 52 Cb 1.12 0.03 -0.24 0.00 0.63 0.00 0.00 28.75 30.29 1twh h GLU 52 CO 0.59 1.03 -0.51 0.99 -0.73 0.00 0.00 179.01 180.38 1twh s THR 53 N -2.25 0.03 -0.29 0.32 2.01 -0.79 -4.94 115.64 109.73 1twh s THR 53 Ca -0.19 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1twh s THR 53 Cb -0.02 -0.31 0.19 0.00 0.01 0.00 0.00 72.50 72.37 1twh s THR 53 CO 0.71 -0.14 0.79 0.21 -0.69 0.00 0.00 174.62 175.49 1twh s ASN 54 N -0.47 -1.07 0.00 3.53 2.47 -1.24 0.67 114.94 118.83 1twh s ASN 54 Ca -0.06 0.25 0.13 0.00 0.42 0.00 0.00 52.86 53.61 1twh s ASN 54 Cb -0.04 1.73 0.34 0.00 -1.45 0.00 0.00 41.25 41.84 1twh s ASN 54 CO 0.01 -0.20 1.26 0.41 -3.72 0.00 0.00 177.10 174.86 1twh n THR 55 N 5.33 0.85 -0.88 -5.21 -1.04 -0.30 -4.98 114.28 108.05 1twh n THR 55 Ca 0.04 -0.92 -0.36 0.00 -2.04 0.00 0.00 64.05 60.77 1twh n THR 55 Cb 0.55 0.62 0.09 0.00 -1.82 0.00 0.00 70.33 69.76 1twh n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1twh n THR 56 N 0.77 0.00 0.82 12.58 -1.04 -1.25 -4.61 114.28 121.55 1twh n THR 56 Ca 0.14 -0.22 0.10 0.00 -2.04 0.00 0.00 64.05 62.02 1twh n THR 56 Cb 0.45 -0.26 0.28 0.00 -1.82 0.00 0.00 70.33 68.98 1twh n THR 56 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1twh n VAL 57 N -3.57 0.40 -4.38 12.58 3.14 -1.26 -4.89 118.33 120.35 1twh n VAL 57 Ca -0.00 -0.51 -0.24 0.00 -2.96 0.00 0.00 64.34 60.63 1twh n VAL 57 Cb 0.65 0.46 -0.09 0.00 -1.06 0.00 0.00 33.84 33.80 1twh n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1twh s LEU 58 N -1.35 2.86 0.42 6.55 1.43 -1.26 -5.11 118.68 122.22 1twh s LEU 58 Ca 0.33 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1twh s LEU 58 Cb 0.18 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1twh s LEU 58 CO 0.25 0.03 0.70 0.00 0.23 0.00 0.00 176.35 177.57 1twh s ALA 59 N -2.32 3.49 0.13 4.21 0.00 -1.26 -4.89 121.76 121.13 1twh s ALA 59 Ca 0.30 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 1twh s ALA 59 Cb -0.06 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1twh s ALA 59 CO 0.17 -0.17 1.66 -0.44 0.00 0.00 0.00 175.76 176.98 1twh h ASP 60 N 0.64 -0.51 0.35 0.00 3.32 -1.98 0.48 116.42 118.72 1twh h ASP 60 Ca -0.48 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 1twh h ASP 60 Cb 1.20 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 1twh h ASP 60 CO 0.62 -0.21 -0.28 1.05 -1.72 0.00 0.00 179.24 178.71 1twh h GLU 61 N -0.20 0.00 -0.09 3.56 9.09 -1.98 0.47 114.58 125.43 1twh h GLU 61 Ca 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.47 1twh h GLU 61 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1twh h GLU 61 CO -0.26 0.28 -0.12 0.35 0.05 0.00 0.00 179.01 179.31 1twh h PHE 62 N 0.00 0.30 -0.21 2.06 -0.00 -1.10 -0.79 116.94 117.20 1twh h PHE 62 Ca -0.00 -0.10 0.05 0.00 -0.00 0.00 0.00 57.97 57.92 1twh h PHE 62 Cb 0.53 -0.06 -0.05 0.00 -0.00 0.00 0.00 35.95 36.36 1twh h PHE 62 CO 0.00 0.69 -0.13 0.82 -0.00 0.00 0.00 178.31 179.69 1twh h ILE 63 N -0.18 0.61 -0.80 1.41 1.08 0.12 -2.66 117.51 117.08 1twh h ILE 63 Ca 0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1twh h ILE 63 Cb 0.65 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 1twh h ILE 63 CO 0.03 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 178.01 1twh h ALA 64 N 1.03 1.53 -0.24 1.87 0.00 0.26 0.31 119.26 124.02 1twh h ALA 64 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1twh h ALA 64 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1twh h ALA 64 CO -0.29 0.39 -0.15 1.25 0.00 0.00 0.00 179.25 180.45 1twh h HIS 65 N 0.97 0.61 -0.75 0.00 -0.00 -1.08 0.07 115.15 114.97 1twh h HIS 65 Ca 0.32 -0.16 0.09 0.00 -0.00 0.00 0.00 60.37 60.61 1twh h HIS 65 Cb 0.06 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 1twh h HIS 65 CO -0.00 0.81 0.41 0.00 -0.00 0.00 0.00 177.93 179.15 1twh h ARG 66 N 0.23 0.68 -0.67 5.26 3.08 -0.80 -1.99 114.38 120.17 1twh h ARG 66 Ca 0.05 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.20 1twh h ARG 66 Cb 0.67 -0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.45 1twh h ARG 66 CO 0.04 0.45 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.30 1twh h LEU 67 N 0.70 -0.34 -0.77 3.04 3.38 0.14 -0.33 115.31 121.13 1twh h LEU 67 Ca 0.36 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1twh h LEU 67 Cb 0.32 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1twh h LEU 67 CO -0.24 -0.15 0.00 1.23 0.09 0.00 0.00 178.44 179.37 1twh h GLY 68 N 0.10 0.00 1.93 0.83 0.00 -0.51 -0.38 103.07 105.04 1twh h GLY 68 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1twh h GLY 68 CO -0.59 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 176.95 1twh n LEU 69 N -2.49 0.41 -4.69 3.11 4.77 -0.14 -4.36 117.00 113.62 1twh n LEU 69 Ca 0.02 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 1twh n LEU 69 Cb 0.29 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1twh n LEU 69 CO 0.24 -0.08 0.92 -0.63 -1.33 0.00 0.00 177.39 176.50 1twh s ILE 70 N -3.05 4.33 0.22 -0.08 -1.09 -0.15 -4.93 121.20 116.44 1twh s ILE 70 Ca 0.12 1.65 -0.30 0.00 -2.23 0.00 0.00 60.65 59.89 1twh s ILE 70 Cb 0.16 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.89 1twh s ILE 70 CO 0.57 0.01 1.15 -2.16 -1.23 0.00 0.00 174.94 173.28 1twh s PRO 71 N 2.07 4.56 0.20 2.79 0.04 -1.26 -4.77 135.00 138.62 1twh s PRO 71 Ca 0.55 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.52 1twh s PRO 71 Cb -0.24 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1twh s PRO 71 CO 0.22 0.04 -0.21 -0.51 0.04 0.00 0.00 177.00 176.59 1twh s LEU 72 N -0.74 2.47 0.56 -3.56 1.43 -1.26 -2.71 118.68 114.86 1twh s LEU 72 Ca 0.49 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.48 1twh s LEU 72 Cb -0.32 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1twh s LEU 72 CO 0.38 0.03 1.16 1.67 0.23 0.00 0.00 176.35 179.83 1twh n GLN 73 N 0.08 1.32 -0.17 1.70 -0.06 -0.48 -4.66 117.38 115.12 1twh n GLN 73 Ca -0.11 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1twh n GLN 73 Cb 0.57 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.40 1twh n GLN 73 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1twh n SER 74 N -0.76 0.00 -0.07 1.69 7.64 -0.69 -2.22 113.62 119.20 1twh n SER 74 Ca 0.12 -1.19 -0.07 0.00 1.01 0.00 0.00 58.87 58.73 1twh n SER 74 Cb 0.45 -0.04 0.10 0.00 -1.01 0.00 0.00 64.21 63.71 1twh n SER 74 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1twh h MET 75 N 0.00 0.74 -2.15 1.43 -1.53 -1.68 -2.92 114.93 108.82 1twh h MET 75 Ca 0.00 -0.30 -0.71 0.00 -3.44 0.00 0.00 59.70 55.25 1twh h MET 75 Cb 1.08 -0.03 -0.22 0.00 -0.55 0.00 0.00 31.60 31.87 1twh h MET 75 CO 0.00 0.91 1.09 -0.25 0.14 0.00 0.00 176.91 178.80 1twh n ASP 76 N -4.11 7.31 -0.13 1.39 8.00 -0.69 -4.55 116.55 123.78 1twh n ASP 76 Ca -0.00 -3.54 0.08 0.00 0.71 0.00 0.00 54.79 52.03 1twh n ASP 76 Cb 0.44 -1.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.30 1twh n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh n ILE 77 N 0.26 0.00 1.09 0.53 0.13 -1.10 -2.84 119.36 117.44 1twh n ILE 77 Ca 0.52 -0.19 0.09 0.00 -1.10 0.00 0.00 62.75 62.07 1twh n ILE 77 Cb 0.32 1.07 0.52 0.00 -0.84 0.00 0.00 39.64 40.71 1twh n ILE 77 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1twh n GLU 78 N -0.96 0.54 -0.08 9.51 1.02 -1.26 -2.52 120.64 126.89 1twh n GLU 78 Ca 0.04 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1twh n GLU 78 Cb 0.28 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1twh n GLU 78 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1twh n GLN 79 N -1.01 1.75 -4.38 3.49 6.02 -1.13 -4.78 117.38 117.34 1twh n GLN 79 Ca 0.13 -1.54 -0.34 0.00 -0.01 0.00 0.00 57.00 55.24 1twh n GLN 79 Cb 0.06 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 30.02 1twh n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1twh s LEU 80 N -0.88 3.34 0.25 1.08 2.96 -1.05 -4.98 118.68 119.40 1twh s LEU 80 Ca 0.15 -0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 1twh s LEU 80 Cb 0.08 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 1twh s LEU 80 CO 0.12 0.21 0.71 -1.61 -1.32 0.00 0.00 176.35 174.46 1twh s GLU 81 N 0.11 4.14 0.04 1.98 0.41 -0.62 -4.99 118.70 119.77 1twh s GLU 81 Ca -0.00 0.76 -0.35 0.00 -0.41 0.00 0.00 54.97 54.97 1twh s GLU 81 Cb -0.13 -2.74 -0.14 0.00 -1.78 0.00 0.00 34.13 29.34 1twh s GLU 81 CO 0.02 0.33 1.65 0.66 -0.49 0.00 0.00 175.26 177.44 1twh n TYR 82 N 0.38 2.18 -0.03 1.61 4.02 -1.26 -4.11 117.16 119.95 1twh n TYR 82 Ca -0.01 0.25 0.24 0.00 -0.01 0.00 0.00 57.90 58.37 1twh n TYR 82 Cb 0.52 -2.55 0.63 0.00 -0.02 0.00 0.00 39.34 37.92 1twh n TYR 82 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1twh h SER 83 N 6.86 0.00 0.81 7.72 0.87 -1.87 0.41 113.55 128.36 1twh h SER 83 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1twh h SER 83 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1twh h SER 83 CO 0.90 0.00 -0.96 -2.11 -0.53 0.00 0.00 176.83 174.12 1twh n ARG 84 N -3.49 0.47 0.00 2.24 1.85 -1.26 -2.38 116.66 114.08 1twh n ARG 84 Ca 0.14 0.08 0.14 0.00 -1.00 0.00 0.00 57.85 57.20 1twh n ARG 84 Cb 0.99 -1.74 0.61 0.00 -1.05 0.00 0.00 32.46 31.27 1twh n ARG 84 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1twh n ASP 85 N -2.39 0.00 -4.86 2.89 8.00 0.14 -4.96 116.55 115.38 1twh n ASP 85 Ca 0.01 0.48 -0.36 0.00 0.71 0.00 0.00 54.79 55.64 1twh n ASP 85 Cb 0.50 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1twh n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh n PHE 87 N 1.12 0.48 -1.66 0.00 3.01 -1.26 -4.82 117.46 114.32 1twh n PHE 87 Ca -0.09 -0.22 -0.30 0.00 1.01 0.00 0.00 57.45 57.84 1twh n PHE 87 Cb 0.52 -0.04 0.06 0.00 -0.01 0.00 0.00 39.48 40.01 1twh n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1twh s GLU 89 N -5.16 4.31 3.67 0.00 2.12 -1.26 -4.81 118.70 117.57 1twh s GLU 89 Ca 0.59 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1twh s GLU 89 Cb -0.13 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1twh s GLU 89 CO 0.54 0.30 0.00 -3.47 -0.54 0.00 0.00 175.26 172.09 1twh n ASP 90 N 3.06 0.00 -4.11 -1.70 2.03 -1.26 -4.78 116.55 109.78 1twh n ASP 90 Ca -0.07 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.07 1twh n ASP 90 Cb 0.51 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.82 1twh n ASP 90 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1twh s HIS 91 N 0.00 1.53 0.00 -0.67 -3.43 -1.26 -4.98 115.29 106.47 1twh s HIS 91 Ca 0.00 -1.32 0.00 0.00 -0.80 0.00 0.00 55.06 52.94 1twh s HIS 91 Cb 0.00 -0.83 0.00 0.00 -1.43 0.00 0.00 32.58 30.32 1twh s HIS 91 CO 0.00 -0.48 0.00 0.00 -2.00 0.00 0.00 174.74 172.26 1twh n ASP 93 N 0.00 0.96 -0.26 0.00 8.00 -1.26 -2.36 116.55 121.62 1twh n ASP 93 Ca 0.00 -0.76 0.12 0.00 0.71 0.00 0.00 54.79 54.86 1twh n ASP 93 Cb 0.00 0.40 0.14 0.00 -0.02 0.00 0.00 41.12 41.64 1twh n ASP 93 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1twh n LYS 94 N -1.06 0.72 -0.36 -1.24 5.02 -1.26 -4.39 118.16 115.59 1twh n LYS 94 Ca 0.08 -0.52 0.03 0.00 -2.02 0.00 0.00 58.31 55.88 1twh n LYS 94 Cb 0.36 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1twh n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1twh s SER 96 N -1.64 -0.09 -0.01 0.00 1.04 -1.00 -4.46 113.70 107.54 1twh s SER 96 Ca 0.11 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 1twh s SER 96 Cb 0.10 1.10 -0.06 0.00 0.10 0.00 0.00 66.02 67.26 1twh s SER 96 CO 0.01 -0.02 0.40 -0.69 0.98 0.00 0.00 173.24 173.92 1twh s VAL 97 N 2.24 5.05 -0.15 5.02 1.01 -1.24 -4.51 120.40 127.83 1twh s VAL 97 Ca -0.01 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 1twh s VAL 97 Cb -0.02 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1twh s VAL 97 CO -0.15 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 1twh s VAL 98 N -0.99 3.31 0.19 2.92 1.01 -1.26 -1.57 120.40 124.00 1twh s VAL 98 Ca 0.23 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1twh s VAL 98 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1twh s VAL 98 CO 0.13 0.50 -0.09 -0.76 0.00 0.00 0.00 175.10 174.88 1twh s LEU 99 N 0.53 2.98 0.17 3.92 1.02 -0.04 -1.59 118.68 125.66 1twh s LEU 99 Ca -0.07 -0.59 0.06 0.00 0.02 0.00 0.00 54.13 53.56 1twh s LEU 99 Cb -0.15 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1twh s LEU 99 CO 0.03 0.10 -0.13 -0.89 0.02 0.00 0.00 176.35 175.49 1twh s THR 100 N -1.75 1.44 -0.04 5.49 2.01 0.15 -1.27 115.64 121.66 1twh s THR 100 Ca 0.25 -2.08 -0.02 0.00 0.31 0.00 0.00 61.69 60.16 1twh s THR 100 Cb -0.09 -1.89 0.03 0.00 0.01 0.00 0.00 72.50 70.56 1twh s THR 100 CO 0.15 -0.64 0.05 -0.22 -0.69 0.00 0.00 174.62 173.28 1twh s LEU 101 N -3.14 0.30 -0.00 4.42 2.96 -0.23 -0.99 118.68 122.00 1twh s LEU 101 Ca 0.18 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1twh s LEU 101 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.53 1twh s LEU 101 CO 0.04 -0.23 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.67 1twh s GLN 102 N 2.00 0.55 -0.14 1.98 -0.21 -1.26 -2.01 119.66 120.57 1twh s GLN 102 Ca 0.03 -0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.03 1twh s GLN 102 Cb -0.12 -0.53 0.04 0.00 1.00 0.00 0.00 33.01 33.40 1twh s GLN 102 CO -0.03 0.14 0.37 0.00 -2.12 0.00 0.00 175.29 173.66 1twh s ALA 103 N -0.20 -0.93 0.04 6.09 0.00 -0.21 -5.04 121.76 121.52 1twh s ALA 103 Ca 0.02 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1twh s ALA 103 Cb -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1twh s ALA 103 CO -0.00 -0.19 0.23 0.12 0.00 0.00 0.00 175.76 175.92 1twh s PHE 104 N 0.41 -0.00 -0.38 0.00 5.36 -1.26 -2.56 117.98 119.55 1twh s PHE 104 Ca -0.02 -0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 1twh s PHE 104 Cb -0.04 0.01 0.07 0.00 -0.34 0.00 0.00 43.02 42.72 1twh s PHE 104 CO -0.02 -0.45 0.17 0.20 -1.46 0.00 0.00 175.22 173.67 1twh s GLY 105 N -2.03 1.91 -0.26 13.12 0.00 -0.89 -4.81 107.32 114.36 1twh s GLY 105 Ca -0.06 -2.06 -0.08 0.00 0.00 0.00 0.00 44.72 42.51 1twh s GLY 105 CO -0.03 0.89 -0.22 -2.21 0.00 0.00 0.00 173.10 171.53 1twh n GLU 106 N 4.79 0.62 -0.68 2.90 4.07 -1.26 -2.43 120.64 128.65 1twh n GLU 106 Ca -0.10 0.25 -0.31 0.00 -0.06 0.00 0.00 57.16 56.94 1twh n GLU 106 Cb 0.43 -1.54 0.17 0.00 -0.06 0.00 0.00 31.44 30.44 1twh n GLU 106 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1twh n SER 107 N -3.86 -0.17 0.05 4.31 3.41 -1.26 -4.91 113.62 111.17 1twh n SER 107 Ca -0.48 0.36 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 1twh n SER 107 Cb 0.92 -1.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.30 1twh n SER 107 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1twh h GLU 108 N -1.91 0.31 0.00 4.33 4.39 -1.98 -3.36 114.58 116.35 1twh h GLU 108 Ca -0.44 -0.53 -0.37 0.00 0.34 0.00 0.00 59.36 58.36 1twh h GLU 108 Cb 1.28 0.20 0.16 0.00 -0.10 0.00 0.00 28.75 30.28 1twh h GLU 108 CO 0.41 1.25 0.31 -1.13 -1.16 0.00 0.00 179.01 178.68 1twh n SER 109 N -3.99 -0.37 -4.82 1.42 3.41 -1.26 -4.32 113.62 103.69 1twh n SER 109 Ca -0.19 -1.34 -0.36 0.00 -0.26 0.00 0.00 58.87 56.72 1twh n SER 109 Cb 0.89 -0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1twh n SER 109 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1twh s THR 110 N -3.36 5.11 -0.27 6.66 2.01 -1.26 -4.54 115.64 119.98 1twh s THR 110 Ca 0.65 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 1twh s THR 110 Cb -0.03 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1twh s THR 110 CO 0.47 0.59 0.05 -0.89 -0.69 0.00 0.00 174.62 174.14 1twh s THR 111 N -1.00 3.80 0.46 -0.82 2.01 0.61 -4.93 115.64 115.77 1twh s THR 111 Ca 0.15 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 1twh s THR 111 Cb -0.12 -2.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 1twh s THR 111 CO 0.04 0.17 0.83 0.20 -0.69 0.00 0.00 174.62 175.18 1twh s ASN 112 N 1.49 6.44 -0.22 3.53 0.02 -1.26 -1.02 114.94 123.91 1twh s ASN 112 Ca 0.03 1.17 -0.02 0.00 -1.02 0.00 0.00 52.86 53.02 1twh s ASN 112 Cb -0.16 -2.34 0.01 0.00 0.02 0.00 0.00 41.25 38.78 1twh s ASN 112 CO 0.01 -0.52 -0.09 -0.69 0.02 0.00 0.00 177.10 175.83 1twh s VAL 113 N -2.58 2.80 0.53 1.60 1.01 -0.67 -4.92 120.40 118.17 1twh s VAL 113 Ca 0.52 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1twh s VAL 113 Cb -0.10 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1twh s VAL 113 CO 0.37 0.36 0.22 -0.31 0.00 0.00 0.00 175.10 175.74 1twh s TYR 114 N 1.36 1.70 -0.10 5.22 1.51 -1.26 -1.70 117.35 124.07 1twh s TYR 114 Ca 0.03 -0.91 0.14 0.00 -1.01 0.00 0.00 57.07 55.32 1twh s TYR 114 Cb -0.15 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1twh s TYR 114 CO -0.06 -0.16 1.29 0.66 -1.11 0.00 0.00 175.55 176.17 1twh h SER 115 N 1.01 0.00 -0.23 2.29 4.64 -0.77 -2.31 113.55 118.19 1twh h SER 115 Ca -0.40 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1twh h SER 115 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1twh h SER 115 CO 0.65 0.61 0.64 0.07 -0.87 0.00 0.00 176.83 177.92 1twh h LYS 116 N 0.00 0.00 0.00 4.77 2.10 -1.77 0.51 116.57 122.17 1twh h LYS 116 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1twh h LYS 116 Cb 1.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 1twh h LYS 116 CO 0.07 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 1twh n ASP 117 N -3.02 0.00 -4.69 7.07 8.00 -0.87 -4.72 116.55 118.32 1twh n ASP 117 Ca 0.04 -0.91 -0.40 0.00 0.71 0.00 0.00 54.79 54.23 1twh n ASP 117 Cb 0.73 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1twh n ASP 117 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1twh s LEU 118 N -1.68 4.24 -0.31 0.64 1.43 0.18 -4.59 118.68 118.60 1twh s LEU 118 Ca 0.22 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1twh s LEU 118 Cb 0.10 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1twh s LEU 118 CO 0.17 -0.17 0.20 -0.69 0.23 0.00 0.00 176.35 176.10 1twh s VAL 119 N 1.24 5.21 0.40 -1.59 1.01 -0.16 -4.89 120.40 121.62 1twh s VAL 119 Ca 0.33 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1twh s VAL 119 Cb -0.17 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1twh s VAL 119 CO 0.14 0.13 1.28 -0.63 0.00 0.00 0.00 175.10 176.02 1twh s ILE 120 N 1.73 2.70 -0.00 2.22 1.09 -1.26 0.31 121.20 127.98 1twh s ILE 120 Ca 0.06 0.62 0.22 0.00 -1.10 0.00 0.00 60.65 60.45 1twh s ILE 120 Cb -0.17 -3.36 0.36 0.00 -1.06 0.00 0.00 42.46 38.23 1twh s ILE 120 CO 0.10 0.09 1.14 0.52 -0.10 0.00 0.00 174.94 176.69 1twh n VAL 121 N 0.12 0.02 -3.91 2.92 0.31 -0.62 -4.91 118.33 112.26 1twh n VAL 121 Ca 0.04 -0.86 -0.09 0.00 -0.01 0.00 0.00 64.34 63.41 1twh n VAL 121 Cb 0.44 0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 34.23 1twh n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1twh s SER 122 N -1.86 -0.06 -0.52 4.52 1.04 -1.26 -4.84 113.70 110.73 1twh s SER 122 Ca 0.28 -0.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1twh s SER 122 Cb 0.32 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.97 1twh s SER 122 CO -0.14 -0.97 1.17 0.21 0.98 0.00 0.00 173.24 174.48 1twh s ASN 123 N -2.95 6.55 0.00 7.02 2.47 -1.26 -4.91 114.94 121.86 1twh s ASN 123 Ca 0.16 0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.80 1twh s ASN 123 Cb 0.02 -2.55 0.17 0.00 -1.45 0.00 0.00 41.25 37.43 1twh s ASN 123 CO 0.01 -1.35 0.77 0.18 -3.72 0.00 0.00 177.10 172.99 1twh n LEU 124 N 8.11 0.00 -3.52 3.21 4.77 -1.26 -4.84 117.00 123.47 1twh n LEU 124 Ca 0.11 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 1twh n LEU 124 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1twh n LEU 124 CO 0.72 0.00 -0.09 0.23 -1.33 0.00 0.00 177.39 176.91 1twh n MET 125 N -0.57 -1.38 -2.12 3.23 2.81 -1.26 -1.24 117.12 116.59 1twh n MET 125 Ca 0.02 0.08 -0.06 0.00 -1.81 0.00 0.00 57.70 55.94 1twh n MET 125 Cb 0.01 -4.02 -0.01 0.00 -0.71 0.00 0.00 33.22 28.50 1twh n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1twh n GLY 126 N -0.81 -0.22 3.68 3.03 0.00 -1.26 -4.96 105.19 104.66 1twh n GLY 126 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1twh n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twh s ARG 127 N -4.34 4.40 -0.86 1.61 0.52 -0.37 -4.98 118.95 114.94 1twh s ARG 127 Ca 0.00 1.42 -0.25 0.00 -0.52 0.00 0.00 55.73 56.38 1twh s ARG 127 Cb 0.00 -3.56 0.04 0.00 0.52 0.00 0.00 34.95 31.95 1twh s ARG 127 CO 0.00 -0.36 1.38 1.21 0.02 0.00 0.00 175.30 177.55 1twh s ASN 128 N 1.16 6.26 0.09 0.23 2.47 -1.26 -4.88 114.94 118.99 1twh s ASN 128 Ca 0.49 -0.85 -0.13 0.00 0.42 0.00 0.00 52.86 52.79 1twh s ASN 128 Cb -0.19 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.07 1twh s ASN 128 CO 0.17 -1.74 0.30 0.27 -3.72 0.00 0.00 177.10 172.38 1twh s ILE 129 N 5.61 0.10 0.00 -5.21 -0.00 -1.26 -1.71 121.20 118.73 1twh s ILE 129 Ca 0.41 -0.81 0.00 0.00 -0.00 0.00 0.00 60.65 60.25 1twh s ILE 129 Cb -0.05 -1.15 0.00 0.00 -0.00 0.00 0.00 42.46 41.26 1twh s ILE 129 CO 0.04 -0.45 0.00 0.61 -0.00 0.00 0.00 174.94 175.15 1twh n GLY 130 N 0.10 1.77 3.77 6.27 0.00 -0.94 -4.85 105.19 111.30 1twh n GLY 130 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1twh n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1twh s HIS 131 N -2.45 3.78 -0.38 1.61 3.76 -1.26 -4.41 115.29 115.93 1twh s HIS 131 Ca 0.00 1.40 -0.44 0.00 -0.15 0.00 0.00 55.06 55.87 1twh s HIS 131 Cb 0.00 -2.69 -0.18 0.00 1.11 0.00 0.00 32.58 30.82 1twh s HIS 131 CO 0.00 0.42 1.65 -2.30 -0.85 0.00 0.00 174.74 173.65 1twh n PRO 132 N 2.28 0.54 -2.43 8.40 -0.02 -1.26 -1.38 135.00 141.13 1twh n PRO 132 Ca -0.06 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1twh n PRO 132 Cb 0.50 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 1twh n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1twh s ILE 133 N 3.14 3.69 -0.07 4.25 -1.09 -1.10 -4.83 121.20 125.19 1twh s ILE 133 Ca 1.01 1.43 0.03 0.00 -2.23 0.00 0.00 60.65 60.90 1twh s ILE 133 Cb -1.29 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 35.68 1twh s ILE 133 CO 0.74 0.23 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.90 1twh s ILE 134 N -0.11 1.34 0.00 2.92 -1.09 -1.26 -4.76 121.20 118.24 1twh s ILE 134 Ca 0.52 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1twh s ILE 134 Cb -0.31 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 1twh s ILE 134 CO 0.36 0.40 0.17 0.00 -1.23 0.00 0.00 174.94 174.64 1twh n GLN 135 N 3.68 -0.06 -3.18 2.79 6.02 -1.26 -5.02 117.38 120.35 1twh n GLN 135 Ca -0.22 -0.18 -0.38 0.00 -0.01 0.00 0.00 57.00 56.22 1twh n GLN 135 Cb 0.52 -0.58 -0.06 0.00 1.02 0.00 0.00 30.24 31.14 1twh n GLN 135 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1twh s ASP 136 N -0.03 7.12 0.35 1.08 -4.77 -1.26 -4.97 116.67 114.18 1twh s ASP 136 Ca 0.00 1.36 0.26 0.00 -3.30 0.00 0.00 52.55 50.87 1twh s ASP 136 Cb 0.00 -2.40 1.16 0.00 -1.09 0.00 0.00 42.92 40.60 1twh s ASP 136 CO 0.00 0.20 1.20 1.17 0.70 0.00 0.00 175.17 178.44 1twh n LYS 137 N 1.40 -0.03 0.00 2.11 4.81 -1.26 -0.16 118.16 125.03 1twh n LYS 137 Ca -0.07 0.96 0.12 0.00 -0.87 0.00 0.00 58.31 58.44 1twh n LYS 137 Cb 0.50 -1.90 0.13 0.00 0.02 0.00 0.00 35.03 33.78 1twh n LYS 137 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1twh n GLU 138 N -4.18 1.96 -2.69 1.64 -0.58 -1.26 -4.94 120.64 110.59 1twh n GLU 138 Ca 0.31 -1.57 -0.19 0.00 -0.42 0.00 0.00 57.16 55.29 1twh n GLU 138 Cb 1.23 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 1twh n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1twh n GLY 139 N 1.35 -0.50 0.08 0.62 0.00 0.77 -4.93 105.19 102.58 1twh n GLY 139 Ca 0.13 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1twh n GLY 139 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1twh h ASN 140 N -0.47 0.20 0.00 1.61 2.35 -1.92 -3.44 115.58 113.90 1twh h ASN 140 Ca -0.44 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1twh h ASN 140 Cb 1.32 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1twh h ASN 140 CO 0.51 1.15 0.00 0.61 -1.65 0.00 0.00 177.43 178.05 1twh n GLY 141 N 1.39 2.05 3.78 2.83 0.00 -1.26 -2.44 105.19 111.53 1twh n GLY 141 Ca -0.04 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1twh n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 142 N 0.00 4.40 -0.37 1.61 1.01 -1.26 -4.64 120.40 121.15 1twh s VAL 142 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1twh s VAL 142 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1twh s VAL 142 CO 0.00 0.52 1.29 -0.22 0.00 0.00 0.00 175.10 176.69 1twh s LEU 143 N -1.12 3.74 -0.25 3.92 2.96 -1.26 -0.59 118.68 126.08 1twh s LEU 143 Ca 0.35 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 55.02 1twh s LEU 143 Cb -0.23 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.76 1twh s LEU 143 CO 0.26 -1.22 -0.10 -0.38 -1.32 0.00 0.00 176.35 173.59 1twh n ILE 144 N 6.59 1.54 -3.81 6.68 2.08 -0.69 -4.96 119.36 126.78 1twh n ILE 144 Ca 0.15 -0.26 -0.09 0.00 0.56 0.00 0.00 62.75 63.11 1twh n ILE 144 Cb 0.48 -1.92 -0.01 0.00 -0.75 0.00 0.00 39.64 37.43 1twh n ILE 144 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1twh s LYS 146 N -2.43 0.08 0.06 0.00 1.02 -1.26 -1.66 119.74 115.55 1twh s LYS 146 Ca 0.18 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.21 1twh s LYS 146 Cb -0.01 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.18 1twh s LYS 146 CO 0.13 0.01 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.88 1twh s LEU 147 N 0.04 2.22 0.43 3.17 1.43 -0.19 -4.61 118.68 121.18 1twh s LEU 147 Ca -0.00 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1twh s LEU 147 Cb -0.01 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1twh s LEU 147 CO -0.00 0.06 0.84 -0.60 0.23 0.00 0.00 176.35 176.88 1twh s ARG 148 N -1.47 3.87 -0.38 1.70 3.52 -1.26 -0.28 118.95 124.65 1twh s ARG 148 Ca 0.04 0.67 -0.41 0.00 -0.13 0.00 0.00 55.73 55.90 1twh s ARG 148 Cb -0.09 -2.31 -0.16 0.00 -1.56 0.00 0.00 34.95 30.83 1twh s ARG 148 CO 0.02 -0.09 1.92 1.17 -0.81 0.00 0.00 175.30 177.51 1twh n LYS 149 N -1.27 0.71 0.00 5.12 3.00 -1.26 -1.41 118.16 123.04 1twh n LYS 149 Ca 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1twh n LYS 149 Cb 0.54 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.60 1twh n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1twh n GLY 150 N 5.49 0.81 3.72 3.14 0.00 -1.02 -5.02 105.19 112.31 1twh n GLY 150 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1twh n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1twh s GLN 151 N -0.53 2.64 -0.00 1.61 -0.21 -0.50 -4.90 119.66 117.77 1twh s GLN 151 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 54.48 1twh s GLN 151 Cb 0.00 -2.57 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 1twh s GLN 151 CO 0.00 0.53 0.10 -2.00 -2.12 0.00 0.00 175.29 171.79 1twh s GLU 152 N -2.53 0.40 -0.06 2.91 2.12 -1.26 -2.09 118.70 118.19 1twh s GLU 152 Ca 0.27 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.22 1twh s GLU 152 Cb -0.11 0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.48 1twh s GLU 152 CO 0.20 -0.09 0.12 -1.17 -0.54 0.00 0.00 175.26 173.79 1twh s LEU 153 N -1.19 0.38 0.01 2.70 2.96 -1.06 -1.16 118.68 121.32 1twh s LEU 153 Ca -0.13 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1twh s LEU 153 Cb -0.07 0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 1twh s LEU 153 CO 0.01 -0.20 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.16 1twh s LYS 154 N 1.73 1.04 0.06 1.98 1.02 0.21 -1.04 119.74 124.73 1twh s LYS 154 Ca -0.03 -0.58 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 1twh s LYS 154 Cb -0.12 -1.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.19 1twh s LYS 154 CO -0.05 0.27 0.28 -0.51 -0.92 0.00 0.00 175.35 174.42 1twh s LEU 155 N -0.60 0.98 0.15 3.17 1.43 -0.85 -1.19 118.68 121.76 1twh s LEU 155 Ca 0.04 -0.29 0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1twh s LEU 155 Cb -0.06 1.30 -0.04 0.00 0.03 0.00 0.00 46.19 47.42 1twh s LEU 155 CO 0.00 -0.64 -0.26 -0.89 0.23 0.00 0.00 176.35 174.79 1twh s THR 156 N -2.84 2.26 0.15 5.49 2.01 -0.74 -1.07 115.64 120.89 1twh s THR 156 Ca -0.03 -1.83 0.10 0.00 0.31 0.00 0.00 61.69 60.25 1twh s THR 156 Cb 0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1twh s THR 156 CO -0.05 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 173.68 1twh s VAL 158 N -1.32 3.44 0.54 0.00 1.01 0.15 -0.86 120.40 123.35 1twh s VAL 158 Ca 0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1twh s VAL 158 Cb -0.09 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1twh s VAL 158 CO 0.09 0.42 0.87 0.00 0.00 0.00 0.00 175.10 176.48 1twh s ALA 159 N 1.45 3.30 0.06 5.51 0.00 -0.61 -1.97 121.76 129.51 1twh s ALA 159 Ca 0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1twh s ALA 159 Cb -0.14 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1twh s ALA 159 CO -0.03 -0.53 0.37 0.15 0.00 0.00 0.00 175.76 175.73 1twh s LYS 160 N -4.90 0.91 0.61 0.00 1.02 -0.61 -3.60 119.74 113.17 1twh s LYS 160 Ca 0.50 -0.47 -0.12 0.00 0.02 0.00 0.00 55.97 55.91 1twh s LYS 160 Cb -0.10 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 1twh s LYS 160 CO 0.47 -0.31 1.02 0.21 -0.92 0.00 0.00 175.35 175.82 1twh s LYS 161 N -2.73 3.61 -0.07 1.68 2.20 -1.26 -1.20 119.74 121.98 1twh s LYS 161 Ca -0.04 0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 56.07 1twh s LYS 161 Cb -0.00 -2.08 0.13 0.00 -1.51 0.00 0.00 37.83 34.36 1twh s LYS 161 CO -0.04 -0.56 1.38 0.20 -0.36 0.00 0.00 175.35 175.97 1twh s GLY 162 N -3.92 -0.40 0.02 5.54 0.00 -0.58 -4.80 107.32 103.19 1twh s GLY 162 Ca 0.56 0.68 0.05 0.00 0.00 0.00 0.00 44.72 46.01 1twh s GLY 162 CO 0.49 1.82 -0.17 -1.50 0.00 0.00 0.00 173.10 173.75 1twh s ILE 163 N -2.11 1.31 0.62 0.90 2.07 -1.26 -1.45 121.20 121.28 1twh s ILE 163 Ca 0.19 -0.90 0.35 0.00 -1.41 0.00 0.00 60.65 58.88 1twh s ILE 163 Cb 0.05 -1.13 0.39 0.00 0.13 0.00 0.00 42.46 41.89 1twh s ILE 163 CO -0.05 0.22 2.27 0.00 -1.91 0.00 0.00 174.94 175.47 1twh h ALA 164 N 5.30 1.36 -1.18 1.50 0.00 -1.62 -0.29 119.26 124.33 1twh h ALA 164 Ca -0.38 -0.00 0.34 0.00 0.00 0.00 0.00 54.91 54.87 1twh h ALA 164 Cb 1.16 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1twh h ALA 164 CO 0.46 -0.04 0.77 0.87 0.00 0.00 0.00 179.25 181.31 1twh h LYS 165 N 0.00 0.22 0.15 0.00 1.57 -1.76 -0.46 116.57 116.29 1twh h LYS 165 Ca 0.01 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1twh h LYS 165 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1twh h LYS 165 CO -0.00 0.14 -1.88 1.49 -0.57 0.00 0.00 179.45 178.63 1twh h GLU 166 N 0.23 0.32 -1.63 3.15 4.81 -1.36 -3.47 114.58 116.62 1twh h GLU 166 Ca 0.68 -0.54 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1twh h GLU 166 Cb 2.03 0.20 -0.26 0.00 0.63 0.00 0.00 28.75 31.35 1twh h GLU 166 CO -0.29 1.25 0.32 -1.58 -0.73 0.00 0.00 179.01 177.97 1twh s HIS 167 N -2.57 -0.66 0.46 0.92 5.04 -0.19 -5.02 115.29 113.28 1twh s HIS 167 Ca -0.19 1.34 0.33 0.00 -1.54 0.00 0.00 55.06 55.00 1twh s HIS 167 Cb 0.06 0.40 1.79 0.00 0.04 0.00 0.00 32.58 34.88 1twh s HIS 167 CO 0.81 -0.33 2.00 0.00 -2.34 0.00 0.00 174.74 174.88 1twh h ALA 168 N 6.04 1.13 -1.30 1.58 0.00 -1.84 -2.22 119.26 122.65 1twh h ALA 168 Ca -0.29 0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.00 1twh h ALA 168 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1twh h ALA 168 CO 0.18 -0.13 0.93 1.57 0.00 0.00 0.00 179.25 181.80 1twh h LYS 169 N 0.00 0.01 -0.04 0.00 2.10 -1.88 -1.65 116.57 115.11 1twh h LYS 169 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1twh h LYS 169 Cb 0.28 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1twh h LYS 169 CO 0.00 0.01 0.00 0.91 -2.00 0.00 0.00 179.45 178.37 1twh n TRP 170 N -4.16 0.04 -3.03 0.07 8.01 -0.84 -4.87 117.44 112.67 1twh n TRP 170 Ca 0.28 -0.02 -0.40 0.00 -1.31 0.00 0.00 57.50 56.05 1twh n TRP 170 Cb 1.35 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.60 1twh n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1twh s GLY 171 N -1.86 2.28 0.22 6.99 0.00 -0.62 -4.05 107.32 110.28 1twh s GLY 171 Ca 0.38 -0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.30 1twh s GLY 171 CO 0.31 1.35 1.39 -0.56 0.00 0.00 0.00 173.10 175.59 1twh h PRO 172 N 7.16 0.00 -6.13 2.90 0.13 -1.84 -3.46 132.00 130.76 1twh h PRO 172 Ca -0.34 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.24 1twh h PRO 172 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1twh h PRO 172 CO 0.78 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.16 1twh s ALA 173 N -3.22 3.90 0.00 -0.56 0.00 -1.26 -2.42 121.76 118.20 1twh s ALA 173 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1twh s ALA 173 Cb 0.11 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1twh s ALA 173 CO 0.71 0.51 0.00 0.00 0.00 0.00 0.00 175.76 176.98 1twh n ALA 174 N -0.52 0.00 -1.74 0.00 0.00 -0.84 -4.83 120.51 112.58 1twh n ALA 174 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 1twh n ALA 174 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 1twh n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh s ALA 175 N -2.63 2.57 -0.25 0.00 0.00 -1.26 -4.80 121.76 115.40 1twh s ALA 175 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1twh s ALA 175 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.77 1twh s ALA 175 CO 0.00 -1.07 0.00 0.42 0.00 0.00 0.00 175.76 175.11 1twh s ILE 176 N -1.69 1.27 0.58 0.00 1.01 -1.26 -3.16 121.20 117.95 1twh s ILE 176 Ca 0.76 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1twh s ILE 176 Cb -0.28 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1twh s ILE 176 CO 0.32 -0.28 1.12 -1.61 0.00 0.00 0.00 174.94 174.49 1twh s GLU 177 N 1.49 3.20 -0.15 2.79 2.02 -0.45 -4.91 118.70 122.69 1twh s GLU 177 Ca -0.00 1.53 -0.09 0.00 0.02 0.00 0.00 54.97 56.42 1twh s GLU 177 Cb -0.18 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.11 1twh s GLU 177 CO -0.10 -0.96 0.36 0.12 0.02 0.00 0.00 175.26 174.70 1twh s PHE 178 N -1.96 -0.49 0.21 1.61 5.36 -1.26 -3.53 117.98 117.92 1twh s PHE 178 Ca 0.71 1.10 -0.14 0.00 -0.96 0.00 0.00 56.93 57.63 1twh s PHE 178 Cb -0.22 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1twh s PHE 178 CO 0.31 -0.28 0.46 -2.00 -1.46 0.00 0.00 175.22 172.25 1twh s GLU 179 N 1.05 1.41 -0.23 10.12 2.12 -1.25 -4.97 118.70 126.95 1twh s GLU 179 Ca -0.07 -1.10 -0.26 0.00 0.36 0.00 0.00 54.97 53.90 1twh s GLU 179 Cb -0.07 0.47 0.08 0.00 0.26 0.00 0.00 34.13 34.87 1twh s GLU 179 CO -0.08 -0.58 0.79 1.52 -0.54 0.00 0.00 175.26 176.37 1twh s TYR 180 N -3.96 -0.68 -0.69 5.30 -0.85 -1.26 -1.62 117.35 113.59 1twh s TYR 180 Ca 0.16 1.58 -0.03 0.00 -0.52 0.00 0.00 57.07 58.26 1twh s TYR 180 Cb -0.00 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.66 1twh s TYR 180 CO 0.03 -0.38 0.59 -3.47 -1.52 0.00 0.00 175.55 170.80 1twh n ASP 181 N 2.21 -3.71 0.16 -0.18 2.03 -1.26 -4.78 116.55 111.02 1twh n ASP 181 Ca -0.14 -0.29 0.19 0.00 0.52 0.00 0.00 54.79 55.06 1twh n ASP 181 Cb 0.56 -2.87 0.75 0.00 -0.72 0.00 0.00 41.12 38.84 1twh n ASP 181 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1twh h PRO 182 N -1.31 0.00 -7.60 -0.67 0.13 -1.93 -3.39 132.00 117.23 1twh h PRO 182 Ca -0.30 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 1twh h PRO 182 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.46 1twh h PRO 182 CO 0.28 0.00 0.32 -1.58 -0.23 0.00 0.00 178.00 176.80 1twh s TRP 183 N -4.46 1.61 -0.81 1.56 0.52 -1.26 -4.80 118.94 111.30 1twh s TRP 183 Ca -0.04 0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.23 1twh s TRP 183 Cb 0.13 -3.76 0.22 0.00 -1.15 0.00 0.00 33.47 28.92 1twh s TRP 183 CO 0.46 -2.34 0.76 -1.71 0.02 0.00 0.00 176.95 174.14 1twh n ASN 184 N -3.47 4.00 -0.10 2.95 5.15 -1.26 -4.74 115.26 117.78 1twh n ASN 184 Ca 0.15 -3.25 -0.14 0.00 -0.60 0.00 0.00 54.58 50.74 1twh n ASN 184 Cb 0.60 -0.91 -0.14 0.00 -0.53 0.00 0.00 39.78 38.80 1twh n ASN 184 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1twh n LYS 185 N 1.79 0.67 0.06 1.20 4.81 -1.26 -2.80 118.16 122.63 1twh n LYS 185 Ca 0.23 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.80 1twh n LYS 185 Cb 0.37 -1.54 0.18 0.00 0.02 0.00 0.00 35.03 34.06 1twh n LYS 185 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1twh n LEU 186 N -3.04 0.18 -4.31 3.14 7.94 -1.26 -4.75 117.00 114.89 1twh n LEU 186 Ca -0.38 0.52 -0.31 0.00 -1.11 0.00 0.00 56.01 54.72 1twh n LEU 186 Cb 1.07 -0.52 -0.09 0.00 0.53 0.00 0.00 43.42 44.40 1twh n LEU 186 CO 0.35 -0.58 -0.44 0.29 -1.11 0.00 0.00 177.39 175.90 1twh n LYS 187 N -1.70 -1.08 0.10 1.96 5.02 -1.12 -4.88 118.16 116.46 1twh n LYS 187 Ca -0.00 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 1twh n LYS 187 Cb 0.11 -3.71 0.45 0.00 -0.02 0.00 0.00 35.03 31.85 1twh n LYS 187 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1twh n HIS 188 N -4.54 0.75 -4.12 2.13 8.25 -1.26 -4.83 115.22 111.59 1twh n HIS 188 Ca -0.30 0.25 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 1twh n HIS 188 Cb 0.68 -0.91 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 1twh n HIS 188 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1twh s THR 189 N -3.18 0.65 -0.30 1.59 -1.32 -1.26 -5.14 115.64 106.68 1twh s THR 189 Ca 0.08 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1twh s THR 189 Cb 0.11 -1.14 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1twh s THR 189 CO 0.48 -0.60 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.65 1twh s ASP 190 N -2.28 4.75 0.03 8.08 2.15 -1.26 -5.06 116.67 123.09 1twh s ASP 190 Ca 0.01 -1.44 -0.20 0.00 0.43 0.00 0.00 52.55 51.35 1twh s ASP 190 Cb -0.03 -1.66 -0.06 0.00 -0.30 0.00 0.00 42.92 40.88 1twh s ASP 190 CO -0.02 -0.26 0.59 -0.31 -0.17 0.00 0.00 175.17 175.00 1twh s TYR 191 N 1.16 3.73 0.42 -5.34 1.51 -1.26 -5.01 117.35 112.57 1twh s TYR 191 Ca -0.04 1.24 -0.24 0.00 -1.01 0.00 0.00 57.07 57.02 1twh s TYR 191 Cb -0.20 -2.57 -0.08 0.00 -0.11 0.00 0.00 41.96 38.99 1twh s TYR 191 CO -0.03 0.44 1.09 -0.46 -1.11 0.00 0.00 175.55 175.47 1twh s TRP 192 N -0.54 3.14 0.16 2.71 -0.00 -1.26 -4.91 118.94 118.24 1twh s TRP 192 Ca 0.30 1.61 -0.25 0.00 -0.00 0.00 0.00 56.10 57.76 1twh s TRP 192 Cb -0.19 -3.21 0.06 0.00 -0.00 0.00 0.00 33.47 30.13 1twh s TRP 192 CO 0.18 -0.92 0.94 1.52 -0.00 0.00 0.00 176.95 178.68 1twh s TYR 193 N -1.63 -0.13 -0.25 5.86 -0.85 -1.26 -4.81 117.35 114.28 1twh s TYR 193 Ca 0.60 -0.18 -0.13 0.00 -0.52 0.00 0.00 57.07 56.83 1twh s TYR 193 Cb -0.24 0.65 -0.11 0.00 0.38 0.00 0.00 41.96 42.64 1twh s TYR 193 CO 0.30 -0.86 -0.33 0.39 -1.52 0.00 0.00 175.55 173.52 1twh n GLU 194 N -0.47 0.54 0.03 -3.49 1.02 -1.26 -4.90 120.64 112.11 1twh n GLU 194 Ca -0.06 0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1twh n GLU 194 Cb 0.61 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1twh n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1twh n GLN 195 N -4.18 0.01 -3.74 3.49 6.02 -1.26 -5.07 117.38 112.66 1twh n GLN 195 Ca -0.48 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.25 1twh n GLN 195 Cb 0.83 -0.52 -0.17 0.00 1.02 0.00 0.00 30.24 31.41 1twh n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1twh s ASP 196 N -5.72 2.49 0.21 1.08 -1.08 -1.26 -5.01 116.67 107.37 1twh s ASP 196 Ca -0.01 -0.59 -0.18 0.00 -0.52 0.00 0.00 52.55 51.26 1twh s ASP 196 Cb 0.00 -0.53 0.20 0.00 -1.46 0.00 0.00 42.92 41.13 1twh s ASP 196 CO 0.01 -0.28 1.59 0.28 0.52 0.00 0.00 175.17 177.29 1twh h SER 197 N 8.28 -1.06 1.15 -0.34 0.02 -1.91 -1.91 113.55 117.78 1twh h SER 197 Ca -0.17 0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1twh h SER 197 Cb 1.12 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1twh h SER 197 CO 0.31 -0.29 -0.40 0.00 -1.14 0.00 0.00 176.83 175.32 1twh h ALA 198 N 1.28 0.86 0.00 3.77 0.00 -1.95 -2.71 119.26 120.51 1twh h ALA 198 Ca 0.29 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1twh h ALA 198 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1twh h ALA 198 CO -0.75 0.50 -0.16 0.87 0.00 0.00 0.00 179.25 179.71 1twh h LYS 199 N 0.00 0.00 0.01 0.00 1.57 -1.81 -3.36 116.57 112.98 1twh h LYS 199 Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1twh h LYS 199 Cb 1.08 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 1twh h LYS 199 CO 0.05 0.16 -2.40 0.39 -0.57 0.00 0.00 179.45 177.08 1twh n GLU 200 N -3.41 0.67 -3.39 3.15 1.02 -0.78 -4.85 120.64 113.05 1twh n GLU 200 Ca -0.01 0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.85 1twh n GLU 200 Cb 0.34 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 1twh n GLU 200 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1twh s TRP 201 N -2.51 3.41 0.33 -0.32 0.52 -1.04 -5.07 118.94 114.26 1twh s TRP 201 Ca -0.24 0.66 -0.29 0.00 0.02 0.00 0.00 56.10 56.26 1twh s TRP 201 Cb 0.08 -2.51 -0.10 0.00 -1.15 0.00 0.00 33.47 29.79 1twh s TRP 201 CO 0.71 0.05 1.34 -2.14 0.02 0.00 0.00 176.95 176.93 1twh s PRO 202 N 1.08 4.31 0.23 4.98 0.02 -1.26 -4.92 135.00 139.44 1twh s PRO 202 Ca 0.20 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1twh s PRO 202 Cb -0.15 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.22 1twh s PRO 202 CO 0.08 -0.25 1.49 -0.65 -0.33 0.00 0.00 177.00 177.33 1twh s GLN 203 N -1.78 4.24 0.46 5.54 -0.21 -1.26 -5.03 119.66 121.63 1twh s GLN 203 Ca 0.50 2.34 -0.20 0.00 0.02 0.00 0.00 55.36 58.02 1twh s GLN 203 Cb -0.41 -3.12 -0.10 0.00 1.00 0.00 0.00 33.01 30.39 1twh s GLN 203 CO 0.54 -0.49 0.97 0.45 -2.12 0.00 0.00 175.29 174.65 1twh s SER 204 N 0.59 6.74 0.05 5.90 0.15 -1.26 -4.97 113.70 120.90 1twh s SER 204 Ca 0.62 1.69 -0.27 0.00 0.70 0.00 0.00 55.95 58.70 1twh s SER 204 Cb -0.43 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.18 1twh s SER 204 CO 0.40 -0.50 1.49 0.07 1.20 0.00 0.00 173.24 175.91 1twh h LYS 205 N 1.55 -0.39 0.00 5.44 5.09 -2.00 0.58 116.57 126.85 1twh h LYS 205 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1twh h LYS 205 Cb 1.19 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1twh h LYS 205 CO 0.61 -0.15 0.07 0.09 -2.09 0.00 0.00 179.45 177.97 1twh n ASN 206 N -5.20 0.00 -0.04 7.07 3.02 -1.26 -2.91 115.26 115.95 1twh n ASN 206 Ca -0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.32 1twh n ASN 206 Cb 0.23 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 1twh n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twh n GLU 208 N -4.72 -0.04 0.00 0.00 1.02 -1.14 -1.08 120.64 114.67 1twh n GLU 208 Ca -0.09 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1twh n GLU 208 Cb 0.37 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1twh n GLU 208 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1twh n TYR 209 N -4.46 0.00 -3.61 -0.32 4.02 -1.22 -4.69 117.16 106.88 1twh n TYR 209 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.80 1twh n TYR 209 Cb 0.14 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 1twh n TYR 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1twh s GLU 210 N -1.08 0.98 -0.11 -0.72 2.12 -0.24 -5.13 118.70 114.51 1twh s GLU 210 Ca 0.00 -0.26 -0.12 0.00 0.36 0.00 0.00 54.97 54.95 1twh s GLU 210 Cb 0.00 0.44 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 1twh s GLU 210 CO 0.00 -0.34 0.27 -0.51 -0.54 0.00 0.00 175.26 174.14 1twh s ASP 211 N -1.92 6.50 1.07 -1.70 1.01 -1.26 -5.02 116.67 115.36 1twh s ASP 211 Ca -0.06 0.59 -0.20 0.00 0.71 0.00 0.00 52.55 53.60 1twh s ASP 211 Cb -0.01 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.79 1twh s ASP 211 CO -0.01 0.24 -0.27 -2.65 0.21 0.00 0.00 175.17 172.69 1twh n PRO 212 N 2.73 -1.07 -2.49 8.23 -0.02 -1.26 -4.96 135.00 136.16 1twh n PRO 212 Ca -0.15 -0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 60.77 1twh n PRO 212 Cb 0.53 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.47 1twh n PRO 212 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1twh s PRO 213 N -3.14 3.02 -0.25 0.52 0.04 -1.26 -5.10 135.00 128.83 1twh s PRO 213 Ca 0.52 -0.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.45 1twh s PRO 213 Cb -0.09 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1twh s PRO 213 CO 0.67 -0.59 0.09 -0.80 0.04 0.00 0.00 177.00 176.41 1twh s ASN 214 N -4.27 5.34 0.61 6.66 0.01 -1.26 -5.00 114.94 117.03 1twh s ASN 214 Ca 0.52 -0.14 0.23 0.00 -0.71 0.00 0.00 52.86 52.77 1twh s ASN 214 Cb -0.10 -1.96 0.81 0.00 0.41 0.00 0.00 41.25 40.40 1twh s ASN 214 CO 0.44 -0.01 1.27 -0.33 -1.51 0.00 0.00 177.10 176.96 1twh h GLU 215 N 8.07 0.00 0.02 -0.60 5.08 -2.05 1.69 114.58 126.79 1twh h GLU 215 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1twh h GLU 215 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1twh h GLU 215 CO 0.59 0.00 -0.01 0.78 -1.00 0.00 0.00 179.01 179.36 1twh h GLY 216 N 0.00 -0.03 0.00 -3.84 0.00 -2.06 -3.46 103.07 93.67 1twh h GLY 216 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1twh h GLY 216 CO -0.00 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.74 1twh n ASP 217 N -4.72 0.00 -4.83 0.19 8.00 0.58 -4.84 116.55 110.92 1twh n ASP 217 Ca -0.06 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.11 1twh n ASP 217 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 1twh n ASP 217 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1twh s PRO 218 N 0.00 4.17 0.35 -0.24 0.04 -1.26 -4.88 135.00 133.18 1twh s PRO 218 Ca 0.00 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1twh s PRO 218 Cb 0.00 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 1twh s PRO 218 CO 0.00 0.06 1.52 0.34 0.04 0.00 0.00 177.00 178.96 1twh n PHE 219 N -0.45 2.94 -3.00 0.56 7.35 -1.26 -4.86 117.46 118.74 1twh n PHE 219 Ca 0.05 0.38 -0.44 0.00 -0.76 0.00 0.00 57.45 56.68 1twh n PHE 219 Cb 0.53 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.78 1twh n PHE 219 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1twh s ASP 220 N 0.07 6.54 0.48 -2.13 2.15 -1.26 -4.92 116.67 117.61 1twh s ASP 220 Ca 0.57 -1.94 0.31 0.00 0.43 0.00 0.00 52.55 51.91 1twh s ASP 220 Cb -0.48 -2.36 1.66 0.00 -0.30 0.00 0.00 42.92 41.44 1twh s ASP 220 CO 0.59 -1.04 1.93 0.10 -0.17 0.00 0.00 175.17 176.57 1twh h TYR 221 N 8.81 0.00 -0.01 -5.34 -0.00 -1.97 -1.95 116.97 116.50 1twh h TYR 221 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.77 1twh h TYR 221 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.77 1twh h TYR 221 CO 1.08 0.00 -0.27 1.63 -0.00 0.00 0.00 178.16 180.60 1twh n LYS 222 N -2.61 1.59 -1.59 0.10 5.02 -1.26 -4.96 118.16 114.45 1twh n LYS 222 Ca -0.02 -1.01 -0.30 0.00 -2.02 0.00 0.00 58.31 54.96 1twh n LYS 222 Cb 0.10 -1.31 0.08 0.00 -0.02 0.00 0.00 35.03 33.88 1twh n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1twh s ALA 223 N -1.87 2.38 0.18 7.82 0.00 -0.74 -5.04 121.76 124.49 1twh s ALA 223 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1twh s ALA 223 Cb 0.14 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1twh s ALA 223 CO 0.38 -1.60 0.05 1.04 0.00 0.00 0.00 175.76 175.64 1twh n GLN 224 N -3.35 0.88 -3.12 0.00 6.02 -1.26 -5.06 117.38 111.50 1twh n GLN 224 Ca 0.07 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.14 1twh n GLN 224 Cb 0.56 0.76 -0.07 0.00 1.02 0.00 0.00 30.24 32.51 1twh n GLN 224 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1twh s ALA 225 N -2.46 3.52 0.00 -1.58 0.00 -1.26 -4.87 121.76 115.11 1twh s ALA 225 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1twh s ALA 225 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1twh s ALA 225 CO 0.05 -1.10 0.00 -0.40 0.00 0.00 0.00 175.76 174.31 1twh n ASP 226 N 5.89 0.62 -3.66 0.00 3.85 -1.26 -4.01 116.55 117.98 1twh n ASP 226 Ca -0.01 -0.41 -0.08 0.00 -0.71 0.00 0.00 54.79 53.58 1twh n ASP 226 Cb 0.49 0.94 -0.09 0.00 -1.35 0.00 0.00 41.12 41.11 1twh n ASP 226 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1twh s THR 227 N -1.07 -0.58 -0.11 2.12 2.01 -1.26 -1.45 115.64 115.30 1twh s THR 227 Ca 0.00 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1twh s THR 227 Cb 0.00 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.80 1twh s THR 227 CO 0.00 0.05 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.47 1twh s PHE 228 N 2.43 1.99 -1.39 4.92 0.40 -0.83 -4.35 117.98 121.14 1twh s PHE 228 Ca -0.04 -0.94 -0.15 0.00 -0.60 0.00 0.00 56.93 55.20 1twh s PHE 228 Cb -0.11 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1twh s PHE 228 CO -0.14 -0.48 2.19 0.66 0.70 0.00 0.00 175.22 178.14 1twh n TYR 229 N 4.22 3.42 -1.58 0.36 4.02 -0.64 -2.62 117.16 124.34 1twh n TYR 229 Ca -0.19 -2.86 -0.24 0.00 -0.01 0.00 0.00 57.90 54.60 1twh n TYR 229 Cb 0.51 -2.48 0.17 0.00 -0.02 0.00 0.00 39.34 37.52 1twh n TYR 229 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1twh n MET 230 N 6.26 -1.41 0.00 -0.72 2.81 -1.13 -3.93 117.12 118.99 1twh n MET 230 Ca 0.52 -1.61 0.00 0.00 -1.81 0.00 0.00 57.70 54.79 1twh n MET 230 Cb 0.39 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1twh n MET 230 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1twh n ASN 231 N -3.87 0.00 -4.74 7.83 2.85 -1.23 -3.05 115.26 113.05 1twh n ASN 231 Ca 0.13 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.25 1twh n ASN 231 Cb 0.47 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.41 1twh n ASN 231 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1twh s VAL 232 N 0.00 4.76 -0.04 3.44 1.01 -1.16 -1.34 120.40 127.08 1twh s VAL 232 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1twh s VAL 232 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1twh s VAL 232 CO 0.00 0.60 -0.20 -0.70 0.00 0.00 0.00 175.10 174.80 1twh s GLU 233 N -0.79 1.94 0.19 2.72 2.12 -1.19 -2.90 118.70 120.78 1twh s GLU 233 Ca 0.13 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.83 1twh s GLU 233 Cb -0.12 -1.71 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 1twh s GLU 233 CO 0.03 0.33 -0.11 0.45 -0.54 0.00 0.00 175.26 175.42 1twh s SER 234 N -0.15 4.16 -0.20 -1.70 0.15 -0.12 -1.98 113.70 113.86 1twh s SER 234 Ca -0.01 -0.62 0.16 0.00 0.70 0.00 0.00 55.95 56.19 1twh s SER 234 Cb -0.11 -0.67 -0.24 0.00 -1.71 0.00 0.00 66.02 63.29 1twh s SER 234 CO 0.02 0.10 0.04 0.55 1.20 0.00 0.00 173.24 175.15 1twh n VAL 235 N 0.02 1.37 0.00 4.45 3.14 -1.02 -4.82 118.33 121.47 1twh n VAL 235 Ca -0.11 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.46 1twh n VAL 235 Cb 0.56 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1twh n VAL 235 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1twh n GLY 236 N 1.82 0.42 0.00 7.55 0.00 -1.26 -4.98 105.19 108.74 1twh n GLY 236 Ca -0.33 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1twh n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twh n SER 237 N 0.00 0.00 -3.71 1.61 3.41 -1.26 -4.60 113.62 109.07 1twh n SER 237 Ca 0.00 -0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.11 1twh n SER 237 Cb 0.00 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 1twh n SER 237 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1twh s ILE 238 N -2.41 0.00 0.61 -1.33 1.01 -1.26 -1.71 121.20 116.11 1twh s ILE 238 Ca 0.33 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 1twh s ILE 238 Cb 0.20 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1twh s ILE 238 CO 0.42 -0.01 0.93 -2.16 0.00 0.00 0.00 174.94 174.11 1twh s PRO 239 N 0.15 2.86 0.14 2.79 0.04 -1.26 -4.67 135.00 135.05 1twh s PRO 239 Ca -0.01 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.92 1twh s PRO 239 Cb -0.03 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1twh s PRO 239 CO 0.01 -0.77 1.62 0.28 0.04 0.00 0.00 177.00 178.18 1twh h VAL 240 N -0.26 1.25 -0.13 -0.36 2.07 -1.92 1.14 116.25 118.04 1twh h VAL 240 Ca -0.45 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1twh h VAL 240 Cb 1.26 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1twh h VAL 240 CO 0.61 0.33 0.13 -2.24 0.02 0.00 0.00 177.57 176.42 1twh h ASP 241 N 0.67 0.00 1.09 0.57 2.03 -1.92 0.20 116.42 119.06 1twh h ASP 241 Ca 0.14 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.43 1twh h ASP 241 Cb 0.41 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1twh h ASP 241 CO 0.01 0.00 -0.08 1.56 -1.03 0.00 0.00 179.24 179.70 1twh h GLN 242 N 0.00 0.00 0.00 4.15 1.08 0.98 -2.01 115.11 119.30 1twh h GLN 242 Ca 0.06 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 1twh h GLN 242 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1twh h GLN 242 CO -0.00 0.08 -0.59 0.28 -0.95 0.00 0.00 178.83 177.65 1twh h VAL 243 N 0.00 1.27 0.14 -0.54 2.07 -0.24 -1.23 116.25 117.72 1twh h VAL 243 Ca -0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1twh h VAL 243 Cb 0.65 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1twh h VAL 243 CO 0.01 0.58 -0.07 0.58 0.02 0.00 0.00 177.57 178.69 1twh h VAL 244 N 0.00 1.01 -0.39 2.57 2.07 -1.44 -2.31 116.25 117.76 1twh h VAL 244 Ca -0.01 -1.10 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1twh h VAL 244 Cb 1.16 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1twh h VAL 244 CO 0.08 0.24 -0.33 0.58 0.02 0.00 0.00 177.57 178.16 1twh h VAL 245 N -0.75 1.27 0.00 2.57 2.07 -1.15 1.05 116.25 121.31 1twh h VAL 245 Ca -0.02 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 1twh h VAL 245 Cb 0.53 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1twh h VAL 245 CO 0.03 0.50 -0.29 0.03 0.02 0.00 0.00 177.57 177.86 1twh h ARG 246 N 0.73 0.00 -0.13 1.57 3.08 -1.33 0.70 114.38 119.00 1twh h ARG 246 Ca 0.07 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.89 1twh h ARG 246 Cb 0.92 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.98 1twh h ARG 246 CO 0.09 0.29 -0.80 0.78 -1.07 0.00 0.00 179.97 179.25 1twh h GLY 247 N 1.43 0.85 1.28 0.04 0.00 0.50 0.14 103.07 107.31 1twh h GLY 247 Ca -0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.07 1twh h GLY 247 CO 0.04 1.10 0.36 -2.22 0.00 0.00 0.00 176.54 175.82 1twh h ILE 248 N 0.49 1.21 -0.55 2.60 1.08 0.12 -2.47 117.51 119.99 1twh h ILE 248 Ca -0.06 -0.54 -0.10 0.00 -0.39 0.00 0.00 64.86 63.77 1twh h ILE 248 Cb 1.44 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1twh h ILE 248 CO 0.16 0.23 -0.05 -0.78 -0.69 0.00 0.00 178.15 177.03 1twh h ASP 249 N 0.94 0.96 0.07 1.72 1.82 -0.60 -2.90 116.42 118.43 1twh h ASP 249 Ca 0.24 -0.28 -0.15 0.00 -0.39 0.00 0.00 57.03 56.44 1twh h ASP 249 Cb 0.05 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1twh h ASP 249 CO -0.04 1.04 -0.53 0.74 -1.61 0.00 0.00 179.24 178.85 1twh h THR 250 N 0.88 1.33 -0.85 2.25 2.02 -0.25 -0.61 112.91 117.68 1twh h THR 250 Ca 0.15 -1.78 0.04 0.00 0.77 0.00 0.00 66.41 65.60 1twh h THR 250 Cb 0.58 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 1twh h THR 250 CO 0.04 0.55 0.54 0.25 0.37 0.00 0.00 175.52 177.26 1twh h LEU 251 N 0.39 0.88 -0.23 2.58 5.85 -1.44 -2.34 115.31 121.00 1twh h LEU 251 Ca 0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.52 1twh h LEU 251 Cb 1.05 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.90 1twh h LEU 251 CO 0.10 0.60 -0.75 -0.61 -0.34 0.00 0.00 178.44 177.44 1twh h GLN 252 N 1.03 0.71 -1.01 1.25 4.15 -1.27 0.15 115.11 120.13 1twh h GLN 252 Ca 0.35 -0.57 0.14 0.00 0.77 0.00 0.00 58.65 59.34 1twh h GLN 252 Cb 0.05 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.76 1twh h GLN 252 CO -0.13 1.18 0.63 0.87 -1.93 0.00 0.00 178.83 179.45 1twh h LYS 253 N 0.49 0.90 0.03 1.69 1.57 -0.60 -2.39 116.57 118.27 1twh h LYS 253 Ca -0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1twh h LYS 253 Cb 1.36 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1twh h LYS 253 CO 0.15 0.60 -0.01 0.87 -0.57 0.00 0.00 179.45 180.48 1twh h LYS 254 N 0.93 -0.04 0.00 3.15 1.57 -0.76 -0.19 116.57 121.24 1twh h LYS 254 Ca 0.52 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.26 1twh h LYS 254 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1twh h LYS 254 CO -0.30 0.14 -0.20 0.28 -0.57 0.00 0.00 179.45 178.80 1twh h VAL 255 N -0.21 1.00 0.00 0.50 2.07 -0.52 -2.41 116.25 116.68 1twh h VAL 255 Ca -0.00 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 1twh h VAL 255 Cb 0.20 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1twh h VAL 255 CO 0.01 0.19 -0.91 0.00 0.02 0.00 0.00 177.57 176.88 1twh h ALA 256 N 1.80 0.64 0.00 1.67 0.00 -1.02 -1.34 119.26 121.01 1twh h ALA 256 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1twh h ALA 256 Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1twh h ALA 256 CO 0.03 0.79 0.00 -1.13 0.00 0.00 0.00 179.25 178.94 1twh n SER 257 N -3.10 0.08 0.06 0.00 3.41 -0.12 -1.92 113.62 112.04 1twh n SER 257 Ca -0.03 0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 58.89 1twh n SER 257 Cb 0.79 -0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 1twh n SER 257 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1twh h ILE 258 N 0.00 1.38 -0.37 -1.33 2.04 -1.18 -3.11 117.51 114.94 1twh h ILE 258 Ca 0.00 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.30 1twh h ILE 258 Cb 0.16 3.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1twh h ILE 258 CO 0.00 0.74 0.19 -0.07 0.00 0.00 0.00 178.15 179.01 1twh h LEU 259 N -0.25 0.45 -0.85 1.44 3.38 -1.37 -1.17 115.31 116.94 1twh h LEU 259 Ca -0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1twh h LEU 259 Cb 1.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1twh h LEU 259 CO 0.16 0.38 0.00 0.25 0.09 0.00 0.00 178.44 179.32 1twh h LEU 260 N 0.52 0.00 0.00 1.67 5.85 -1.40 -2.72 115.31 119.23 1twh h LEU 260 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1twh h LEU 260 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1twh h LEU 260 CO -0.02 0.00 -0.53 0.00 -0.34 0.00 0.00 178.44 177.55 1twh n ALA 261 N -1.89 2.87 0.23 1.25 0.00 -0.57 -2.67 120.51 119.72 1twh n ALA 261 Ca 0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1twh n ALA 261 Cb 0.29 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1twh n ALA 261 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1twh h LEU 262 N 0.00 -1.08 -0.93 0.00 3.38 -1.16 -3.07 115.31 112.45 1twh h LEU 262 Ca 0.00 0.10 0.34 0.00 0.09 0.00 0.00 57.88 58.41 1twh h LEU 262 Cb 0.21 0.37 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 1twh h LEU 262 CO 0.00 -0.53 0.32 0.41 0.09 0.00 0.00 178.44 178.73 1twh n THR 263 N -5.49 -0.39 1.12 0.22 -1.04 -1.03 -1.24 114.28 106.42 1twh n THR 263 Ca -0.10 1.95 0.02 0.00 -2.04 0.00 0.00 64.05 63.88 1twh n THR 263 Cb 0.39 -3.04 0.09 0.00 -1.82 0.00 0.00 70.33 65.95 1twh n THR 263 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1twh n GLN 264 N -5.20 1.60 -0.00 -2.82 7.27 -1.09 -3.27 117.38 113.86 1twh n GLN 264 Ca 0.30 -0.68 0.07 0.00 0.07 0.00 0.00 57.00 56.76 1twh n GLN 264 Cb 1.02 -1.33 -0.10 0.00 2.41 0.00 0.00 30.24 32.23 1twh n GLN 264 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1twh n MET 265 N 0.07 1.14 0.00 3.69 2.81 -0.37 -4.85 117.12 119.60 1twh n MET 265 Ca 0.06 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1twh n MET 265 Cb 0.27 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1twh n MET 265 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1twh n ASP 266 N -1.75 0.00 0.00 7.83 8.00 -1.17 -5.06 116.55 124.40 1twh n ASP 266 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1twh n ASP 266 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1twh n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh n GLN 267 N 0.00 0.00 0.00 -1.24 6.02 -1.26 -5.10 117.38 115.80 1twh n GLN 267 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1twh n GLN 267 Cb 0.00 0.00 0.29 0.00 1.02 0.00 0.00 30.24 31.55 1twh n GLN 267 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80