#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twc n GLU 4 N 0.00 0.00 0.00 3.49 2.13 -1.26 -4.91 120.64 120.09 1twc n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1twc n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1twc n GLU 4 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1twc n GLY 5 N 0.00 -0.05 3.64 8.31 0.00 -1.26 -5.10 105.19 110.73 1twc n GLY 5 Ca 0.00 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 1twc n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1twc s PRO 6 N 0.00 3.86 0.18 1.61 0.02 -1.21 -4.76 135.00 134.71 1twc s PRO 6 Ca 0.00 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 62.60 1twc s PRO 6 Cb 0.00 -4.03 -0.08 0.00 0.02 0.00 0.00 34.50 30.41 1twc s PRO 6 CO 0.00 -1.22 0.69 -0.65 -0.33 0.00 0.00 177.00 175.49 1twc s GLN 7 N 4.57 4.26 0.40 5.54 -1.52 -0.61 -4.96 119.66 127.34 1twc s GLN 7 Ca 0.72 0.85 0.07 0.00 -1.95 0.00 0.00 55.36 55.05 1twc s GLN 7 Cb -0.27 -2.99 -0.08 0.00 -0.22 0.00 0.00 33.01 29.45 1twc s GLN 7 CO 0.29 0.47 0.01 0.08 -0.25 0.00 0.00 175.29 175.89 1twc s VAL 8 N -1.40 1.93 -0.29 1.09 1.01 -1.26 -2.25 120.40 119.22 1twc s VAL 8 Ca 0.39 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1twc s VAL 8 Cb -0.18 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1twc s VAL 8 CO 0.21 0.00 0.99 1.17 0.00 0.00 0.00 175.10 177.48 1twc n LYS 9 N -0.95 0.02 -1.13 2.72 4.81 -1.18 -4.94 118.16 117.51 1twc n LYS 9 Ca -0.05 -0.51 -0.40 0.00 -0.87 0.00 0.00 58.31 56.49 1twc n LYS 9 Cb 0.67 -0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 1twc n LYS 9 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1twc n ILE 10 N -0.49 1.38 0.00 3.15 5.41 -1.26 -3.92 119.36 123.63 1twc n ILE 10 Ca -0.31 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.10 1twc n ILE 10 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.54 1twc n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1twc n ARG 11 N 0.85 3.94 -3.48 0.38 1.74 -0.50 -4.96 116.66 114.63 1twc n ARG 11 Ca 0.15 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.11 1twc n ARG 11 Cb 0.18 -0.42 -0.02 0.00 -1.02 0.00 0.00 32.46 31.18 1twc n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1twc s GLU 12 N -0.76 1.35 -0.04 5.56 2.02 -1.11 -4.96 118.70 120.74 1twc s GLU 12 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.16 1twc s GLU 12 Cb 0.00 0.59 0.10 0.00 0.10 0.00 0.00 34.13 34.92 1twc s GLU 12 CO 0.00 -0.59 0.82 0.00 0.02 0.00 0.00 175.26 175.51 1twc s ALA 13 N -3.77 -1.81 0.19 5.21 0.00 -1.26 -2.28 121.76 118.04 1twc s ALA 13 Ca 0.02 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 1twc s ALA 13 Cb -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1twc s ALA 13 CO -0.10 -0.49 0.98 -1.54 0.00 0.00 0.00 175.76 174.61 1twc s SER 14 N -1.70 -0.09 0.46 0.00 1.04 -0.68 -4.94 113.70 107.78 1twc s SER 14 Ca -0.02 -0.58 0.27 0.00 0.48 0.00 0.00 55.95 56.10 1twc s SER 14 Cb -0.01 0.53 0.77 0.00 0.10 0.00 0.00 66.02 67.41 1twc s SER 14 CO -0.01 -1.01 1.76 0.11 0.98 0.00 0.00 173.24 175.07 1twc h LYS 15 N 2.00 0.00 0.00 4.02 1.79 -2.02 -3.33 116.57 119.03 1twc h LYS 15 Ca -0.26 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.10 1twc h LYS 15 Cb 1.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1twc h LYS 15 CO 0.31 0.00 -1.49 -0.25 -1.08 0.00 0.00 179.45 176.94 1twc n ASP 16 N -3.01 3.14 -4.01 0.86 9.92 -1.26 -4.11 116.55 118.08 1twc n ASP 16 Ca 0.03 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.19 1twc n ASP 16 Cb 0.43 0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 41.65 1twc n ASP 16 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1twc s ASN 17 N -3.74 0.03 -0.26 -2.24 0.01 -1.25 -0.71 114.94 106.77 1twc s ASN 17 Ca -0.04 -0.97 -0.04 0.00 -0.71 0.00 0.00 52.86 51.10 1twc s ASN 17 Cb 0.03 0.47 0.14 0.00 0.41 0.00 0.00 41.25 42.29 1twc s ASN 17 CO 0.31 -0.95 0.50 -0.69 -1.51 0.00 0.00 177.10 174.76 1twc s VAL 18 N -4.01 -0.80 -0.15 1.60 1.01 -1.11 -1.69 120.40 115.25 1twc s VAL 18 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 1twc s VAL 18 Cb 0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1twc s VAL 18 CO 0.04 -0.02 0.27 -0.62 0.00 0.00 0.00 175.10 174.77 1twc s ASP 19 N 2.71 6.44 0.18 3.32 -1.08 -0.96 -2.02 116.67 125.26 1twc s ASP 19 Ca 0.08 0.51 0.04 0.00 -0.52 0.00 0.00 52.55 52.67 1twc s ASP 19 Cb -0.14 -2.17 -0.02 0.00 -1.46 0.00 0.00 42.92 39.14 1twc s ASP 19 CO -0.17 0.16 0.16 2.22 0.52 0.00 0.00 175.17 178.05 1twc n PHE 20 N 3.26 -0.45 -3.83 -5.34 1.16 -1.12 -1.41 117.46 109.73 1twc n PHE 20 Ca -0.13 -1.50 -0.22 0.00 -1.87 0.00 0.00 57.45 53.73 1twc n PHE 20 Cb 0.52 0.16 -0.17 0.00 -1.61 0.00 0.00 39.48 38.38 1twc n PHE 20 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1twc s ILE 21 N -2.73 0.35 0.25 1.97 1.01 -1.25 -2.49 121.20 118.32 1twc s ILE 21 Ca 0.21 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 1twc s ILE 21 Cb 0.01 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 1twc s ILE 21 CO 0.15 0.24 0.55 -0.76 0.00 0.00 0.00 174.94 175.12 1twc s LEU 22 N 1.75 4.12 -0.23 2.97 1.43 -1.04 -3.10 118.68 124.57 1twc s LEU 22 Ca 0.01 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 53.68 1twc s LEU 22 Cb -0.13 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.58 1twc s LEU 22 CO -0.04 -0.13 0.92 -0.94 0.23 0.00 0.00 176.35 176.39 1twc s SER 23 N -2.70 -0.53 -1.27 2.29 1.04 -0.95 -2.07 113.70 109.51 1twc s SER 23 Ca 0.46 0.91 -0.15 0.00 0.48 0.00 0.00 55.95 57.66 1twc s SER 23 Cb -0.11 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1twc s SER 23 CO 0.25 -0.25 0.60 -3.20 0.98 0.00 0.00 173.24 171.62 1twc n ASN 24 N 1.94 -3.00 -3.91 7.02 5.15 -0.93 -1.58 115.26 119.95 1twc n ASN 24 Ca -0.13 -1.07 -0.09 0.00 -0.60 0.00 0.00 54.58 52.69 1twc n ASN 24 Cb 0.56 -2.91 -0.08 0.00 -0.53 0.00 0.00 39.78 36.82 1twc n ASN 24 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1twc s VAL 25 N -3.70 0.15 0.45 3.44 -7.23 -1.23 -3.32 120.40 108.96 1twc s VAL 25 Ca 0.28 -1.25 -0.23 0.00 -1.81 0.00 0.00 61.98 58.97 1twc s VAL 25 Cb -0.12 -1.26 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 1twc s VAL 25 CO 0.90 -0.69 1.17 -1.81 -0.31 0.00 0.00 175.10 174.36 1twc s ASP 26 N -2.67 6.23 0.24 4.85 1.11 -1.26 -4.30 116.67 120.86 1twc s ASP 26 Ca 0.03 2.33 -0.14 0.00 0.18 0.00 0.00 52.55 54.94 1twc s ASP 26 Cb 0.04 -2.61 0.30 0.00 1.07 0.00 0.00 42.92 41.72 1twc s ASP 26 CO -0.09 -0.88 1.57 0.25 1.18 0.00 0.00 175.17 177.20 1twc h LEU 27 N 2.18 -1.16 -1.01 1.23 5.85 -1.95 -0.36 115.31 120.10 1twc h LEU 27 Ca -0.49 0.28 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1twc h LEU 27 Cb 1.25 0.65 -0.09 0.00 0.37 0.00 0.00 40.66 42.84 1twc h LEU 27 CO 0.61 -0.30 0.63 0.00 -0.34 0.00 0.00 178.44 179.04 1twc h ALA 28 N 1.55 1.53 -0.30 1.25 0.00 -1.93 -0.21 119.26 121.15 1twc h ALA 28 Ca 0.37 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 1twc h ALA 28 Cb 0.62 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1twc h ALA 28 CO -0.93 0.21 -0.40 1.98 0.00 0.00 0.00 179.25 180.11 1twc h MET 29 N 0.98 0.80 -0.70 0.00 1.85 -1.81 0.58 114.93 116.62 1twc h MET 29 Ca 0.51 -0.46 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1twc h MET 29 Cb 0.52 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.55 1twc h MET 29 CO -0.28 1.09 0.44 0.00 -0.40 0.00 0.00 176.91 177.77 1twc h ALA 30 N 0.70 0.90 -0.17 0.39 0.00 0.37 -1.22 119.26 120.23 1twc h ALA 30 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1twc h ALA 30 Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1twc h ALA 30 CO 0.09 0.24 -0.37 -0.97 0.00 0.00 0.00 179.25 178.25 1twc h ASN 31 N 0.88 0.61 -0.66 0.00 -1.24 -1.06 -2.11 115.58 112.00 1twc h ASN 31 Ca 0.27 -0.56 0.19 0.00 0.71 0.00 0.00 56.30 56.91 1twc h ASN 31 Cb -0.02 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 1twc h ASN 31 CO -0.09 1.06 0.51 0.28 -1.29 0.00 0.00 177.43 177.90 1twc h SER 32 N 0.19 0.00 0.17 1.15 0.02 0.37 0.16 113.55 115.61 1twc h SER 32 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.66 1twc h SER 32 Cb 0.97 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.52 1twc h SER 32 CO 0.08 0.00 -1.43 0.25 -1.14 0.00 0.00 176.83 174.59 1twc h LEU 33 N 0.00 0.55 -0.91 5.07 5.85 -0.59 -1.27 115.31 124.01 1twc h LEU 33 Ca 0.31 -0.91 0.20 0.00 0.84 0.00 0.00 57.88 58.33 1twc h LEU 33 Cb 1.32 -0.18 -0.17 0.00 0.37 0.00 0.00 40.66 42.00 1twc h LEU 33 CO -0.00 1.65 -0.13 -0.09 -0.34 0.00 0.00 178.44 179.53 1twc h ARG 34 N -0.11 0.02 -0.15 1.25 2.43 -0.87 0.25 114.38 117.19 1twc h ARG 34 Ca -0.28 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.73 1twc h ARG 34 Cb 1.92 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 1twc h ARG 34 CO 0.15 0.01 -0.58 0.00 -1.51 0.00 0.00 179.97 178.04 1twc h ARG 35 N 0.02 0.47 -0.41 0.20 3.08 -0.57 -0.76 114.38 116.40 1twc h ARG 35 Ca 0.48 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1twc h ARG 35 Cb 0.82 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1twc h ARG 35 CO -0.90 0.92 -0.22 0.28 -1.07 0.00 0.00 179.97 178.98 1twc h VAL 36 N 0.36 1.27 -0.15 2.04 2.07 0.11 0.25 116.25 122.20 1twc h VAL 36 Ca -0.00 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1twc h VAL 36 Cb 1.12 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1twc h VAL 36 CO 0.10 0.46 0.05 0.24 0.02 0.00 0.00 177.57 178.44 1twc h MET 37 N 0.72 0.22 -0.61 1.57 2.86 0.26 -0.45 114.93 119.50 1twc h MET 37 Ca 0.10 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1twc h MET 37 Cb 0.75 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 1twc h MET 37 CO 0.06 0.33 0.23 0.82 1.06 0.00 0.00 176.91 179.41 1twc h ILE 38 N 0.07 0.77 0.00 -1.22 2.04 -1.15 -3.40 117.51 114.62 1twc h ILE 38 Ca 0.05 -0.14 -0.26 0.00 1.00 0.00 0.00 64.86 65.50 1twc h ILE 38 Cb 0.20 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1twc h ILE 38 CO -0.00 0.07 -2.00 0.00 0.00 0.00 0.00 178.15 176.23 1twc n ALA 39 N -2.47 1.64 -1.25 1.87 0.00 0.87 -4.71 120.51 116.47 1twc n ALA 39 Ca 0.09 -0.91 0.08 0.00 0.00 0.00 0.00 53.44 52.70 1twc n ALA 39 Cb 0.27 -0.03 0.14 0.00 0.00 0.00 0.00 19.45 19.83 1twc n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1twc n GLU 40 N -2.64 1.20 -3.11 0.00 1.02 -0.28 -1.55 120.64 115.29 1twc n GLU 40 Ca -0.25 -2.55 -0.40 0.00 -0.02 0.00 0.00 57.16 53.94 1twc n GLU 40 Cb 0.94 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.89 1twc n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1twc s ILE 41 N -2.65 5.03 0.67 -3.67 1.01 -1.24 -4.96 121.20 115.40 1twc s ILE 41 Ca 0.30 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 62.05 1twc s ILE 41 Cb 0.27 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1twc s ILE 41 CO 0.01 0.16 1.12 -2.84 0.00 0.00 0.00 174.94 173.39 1twc s PRO 42 N 1.55 2.72 0.20 2.79 0.02 -1.26 -4.67 135.00 136.35 1twc s PRO 42 Ca 0.31 1.42 -0.24 0.00 0.02 0.00 0.00 61.00 62.51 1twc s PRO 42 Cb -0.16 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.47 1twc s PRO 42 CO 0.12 -1.31 0.87 0.99 -0.33 0.00 0.00 177.00 177.34 1twc s THR 43 N -2.32 0.00 -0.05 0.99 2.01 -0.88 -4.96 115.64 110.43 1twc s THR 43 Ca 0.67 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1twc s THR 43 Cb -0.21 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1twc s THR 43 CO 0.42 0.00 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.94 1twc s LEU 44 N -2.93 2.47 -0.13 4.42 2.96 -1.26 -1.50 118.68 122.71 1twc s LEU 44 Ca 0.12 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.43 1twc s LEU 44 Cb -0.03 -1.48 0.07 0.00 0.50 0.00 0.00 46.19 45.25 1twc s LEU 44 CO 0.04 0.32 0.68 0.00 -1.32 0.00 0.00 176.35 176.07 1twc s ALA 45 N -0.59 -1.74 0.18 5.97 0.00 -0.73 -4.27 121.76 120.59 1twc s ALA 45 Ca 0.09 1.55 -0.32 0.00 0.00 0.00 0.00 51.96 53.28 1twc s ALA 45 Cb -0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 23.12 22.46 1twc s ALA 45 CO 0.01 -0.35 1.63 0.42 0.00 0.00 0.00 175.76 177.46 1twc s ILE 46 N -0.60 2.38 0.00 0.00 1.09 -1.26 -1.92 121.20 120.89 1twc s ILE 46 Ca -0.07 0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.75 1twc s ILE 46 Cb -0.02 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 1twc s ILE 46 CO 0.06 0.02 0.98 -0.67 -0.10 0.00 0.00 174.94 175.24 1twc n ASP 47 N 3.93 0.00 -3.64 3.58 2.03 -0.80 -4.24 116.55 117.41 1twc n ASP 47 Ca 0.14 -1.96 -0.10 0.00 0.52 0.00 0.00 54.79 53.39 1twc n ASP 47 Cb 0.37 -0.19 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 1twc n ASP 47 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1twc s SER 48 N -0.96 -0.76 -0.02 1.67 0.15 -1.13 -4.95 113.70 107.71 1twc s SER 48 Ca 0.00 1.35 -0.00 0.00 0.70 0.00 0.00 55.95 58.00 1twc s SER 48 Cb 0.00 1.35 0.03 0.00 -1.71 0.00 0.00 66.02 65.69 1twc s SER 48 CO 0.00 -0.22 0.03 -0.69 1.20 0.00 0.00 173.24 173.56 1twc s VAL 49 N 0.84 -0.05 -0.09 4.45 1.01 -1.26 -0.99 120.40 124.30 1twc s VAL 49 Ca -0.04 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1twc s VAL 49 Cb -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 1twc s VAL 49 CO -0.08 0.08 -0.23 -1.61 0.00 0.00 0.00 175.10 173.26 1twc s GLU 50 N 1.00 2.93 -0.32 2.72 8.01 0.29 -4.96 118.70 128.36 1twc s GLU 50 Ca -0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 54.97 54.02 1twc s GLU 50 Cb -0.12 -2.23 0.06 0.00 -4.31 0.00 0.00 34.13 27.53 1twc s GLU 50 CO -0.03 0.19 0.05 0.08 0.01 0.00 0.00 175.26 175.56 1twc s VAL 51 N 0.31 3.14 -0.02 2.63 1.01 -1.26 -1.88 120.40 124.33 1twc s VAL 51 Ca -0.17 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.13 1twc s VAL 51 Cb -0.17 -2.87 -0.27 0.00 0.00 0.00 0.00 36.38 33.07 1twc s VAL 51 CO 0.08 -0.22 1.01 -0.08 0.00 0.00 0.00 175.10 175.90 1twc h GLU 52 N 8.03 0.37 -3.38 2.72 4.81 -0.66 -3.47 114.58 123.00 1twc h GLU 52 Ca -0.20 -0.48 -0.18 0.00 -0.13 0.00 0.00 59.36 58.38 1twc h GLU 52 Cb 1.06 0.16 -0.25 0.00 0.63 0.00 0.00 28.75 30.34 1twc h GLU 52 CO 0.57 1.17 -0.52 0.99 -0.73 0.00 0.00 179.01 180.48 1twc s THR 53 N -2.88 0.02 -0.29 0.32 2.01 -0.22 -4.95 115.64 109.64 1twc s THR 53 Ca -0.13 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1twc s THR 53 Cb 0.02 -0.27 0.20 0.00 0.01 0.00 0.00 72.50 72.46 1twc s THR 53 CO 0.83 -0.07 0.61 0.21 -0.69 0.00 0.00 174.62 175.51 1twc s ASN 54 N -0.18 -1.51 0.00 3.53 2.47 -1.25 -0.46 114.94 117.54 1twc s ASN 54 Ca -0.03 0.42 0.12 0.00 0.42 0.00 0.00 52.86 53.79 1twc s ASN 54 Cb -0.02 2.05 0.22 0.00 -1.45 0.00 0.00 41.25 42.05 1twc s ASN 54 CO 0.00 -0.28 1.10 0.41 -3.72 0.00 0.00 177.10 174.61 1twc n THR 55 N 5.42 0.55 -0.66 -5.21 -1.04 -0.51 -4.97 114.28 107.86 1twc n THR 55 Ca 0.03 -0.78 -0.31 0.00 -2.04 0.00 0.00 64.05 60.95 1twc n THR 55 Cb 0.53 0.83 0.18 0.00 -1.82 0.00 0.00 70.33 70.05 1twc n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1twc n THR 56 N 0.62 0.00 1.42 12.58 -1.04 -1.25 -4.59 114.28 122.02 1twc n THR 56 Ca 0.10 -0.27 0.14 0.00 -2.04 0.00 0.00 64.05 61.98 1twc n THR 56 Cb 0.38 -0.74 0.46 0.00 -1.82 0.00 0.00 70.33 68.60 1twc n THR 56 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1twc n VAL 57 N -4.32 0.00 -3.84 12.58 3.14 -1.26 -4.85 118.33 119.77 1twc n VAL 57 Ca 0.04 -0.28 -0.30 0.00 -2.96 0.00 0.00 64.34 60.84 1twc n VAL 57 Cb 0.57 0.63 -0.04 0.00 -1.06 0.00 0.00 33.84 33.94 1twc n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1twc s LEU 58 N -2.03 4.32 0.67 6.55 1.43 -1.26 -5.12 118.68 123.24 1twc s LEU 58 Ca 0.36 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1twc s LEU 58 Cb 0.21 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 1twc s LEU 58 CO 0.34 0.11 1.06 0.00 0.23 0.00 0.00 176.35 178.09 1twc s ALA 59 N -1.60 2.93 0.06 4.21 0.00 -1.26 -4.91 121.76 121.19 1twc s ALA 59 Ca 0.37 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 1twc s ALA 59 Cb -0.12 -3.08 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1twc s ALA 59 CO 0.27 -0.96 1.59 -0.44 0.00 0.00 0.00 175.76 176.22 1twc h ASP 60 N -0.52 0.09 0.31 0.00 3.32 -1.99 0.12 116.42 117.75 1twc h ASP 60 Ca -0.44 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.39 1twc h ASP 60 Cb 1.22 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1twc h ASP 60 CO 0.62 0.24 -0.22 1.05 -1.72 0.00 0.00 179.24 179.21 1twc h GLU 61 N -0.06 0.00 0.32 3.56 9.09 -1.98 0.17 114.58 125.68 1twc h GLU 61 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.42 1twc h GLU 61 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1twc h GLU 61 CO -0.00 0.22 -0.15 0.35 0.05 0.00 0.00 179.01 179.47 1twc h PHE 62 N 0.00 -0.40 -0.34 2.06 3.57 -1.68 -0.57 116.94 119.59 1twc h PHE 62 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1twc h PHE 62 Cb 0.43 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 1twc h PHE 62 CO 0.00 -0.10 -0.09 0.82 -2.23 0.00 0.00 178.31 176.71 1twc h ILE 63 N -0.70 0.65 -0.83 1.41 2.04 -0.08 -2.65 117.51 117.36 1twc h ILE 63 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1twc h ILE 63 Cb 0.48 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1twc h ILE 63 CO 0.07 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.76 1twc h ALA 64 N 1.33 1.81 -0.12 1.87 0.00 -0.18 0.43 119.26 124.40 1twc h ALA 64 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1twc h ALA 64 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1twc h ALA 64 CO -0.35 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.08 1twc h HIS 65 N 0.70 0.29 -0.97 0.00 -0.00 -0.95 -1.25 115.15 112.97 1twc h HIS 65 Ca 0.40 -0.08 0.05 0.00 -0.00 0.00 0.00 60.37 60.74 1twc h HIS 65 Cb 0.56 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.85 1twc h HIS 65 CO -0.00 0.61 0.63 0.00 -0.00 0.00 0.00 177.93 179.17 1twc h ARG 66 N -0.11 1.14 -0.51 5.26 3.08 -0.75 -2.40 114.38 120.09 1twc h ARG 66 Ca 0.03 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1twc h ARG 66 Cb 0.54 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1twc h ARG 66 CO 0.02 0.75 0.29 -0.07 -1.07 0.00 0.00 179.97 179.89 1twc h LEU 67 N 1.17 0.45 -2.10 3.04 3.38 0.87 -0.63 115.31 121.49 1twc h LEU 67 Ca 0.40 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1twc h LEU 67 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1twc h LEU 67 CO -0.14 0.32 0.00 1.23 0.09 0.00 0.00 178.44 179.94 1twc h GLY 68 N 0.57 0.00 0.37 0.83 0.00 -0.80 -0.31 103.07 103.73 1twc h GLY 68 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1twc h GLY 68 CO -0.11 0.00 -0.20 1.04 0.00 0.00 0.00 176.54 177.27 1twc n LEU 69 N -2.94 0.91 -4.69 3.11 4.77 -0.25 -4.38 117.00 113.53 1twc n LEU 69 Ca -0.01 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 1twc n LEU 69 Cb 0.17 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1twc n LEU 69 CO 0.22 0.17 0.89 -0.63 -1.33 0.00 0.00 177.39 176.71 1twc s ILE 70 N -2.46 4.47 0.28 -0.08 -1.09 -0.13 -4.98 121.20 117.21 1twc s ILE 70 Ca 0.26 1.77 -0.29 0.00 -2.23 0.00 0.00 60.65 60.16 1twc s ILE 70 Cb 0.20 -4.14 -0.10 0.00 -1.58 0.00 0.00 42.46 36.84 1twc s ILE 70 CO 0.50 -0.01 1.13 -2.16 -1.23 0.00 0.00 174.94 173.16 1twc s PRO 71 N 2.21 4.60 -0.01 2.79 0.04 -1.26 -4.73 135.00 138.64 1twc s PRO 71 Ca 0.53 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.44 1twc s PRO 71 Cb -0.22 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1twc s PRO 71 CO 0.20 0.15 -0.09 -0.51 0.04 0.00 0.00 177.00 176.79 1twc s LEU 72 N -1.38 2.00 0.37 -3.56 1.43 -1.26 -2.50 118.68 113.77 1twc s LEU 72 Ca 0.46 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.14 1twc s LEU 72 Cb -0.33 -0.45 -0.12 0.00 0.03 0.00 0.00 46.19 45.32 1twc s LEU 72 CO 0.42 0.10 0.96 1.67 0.23 0.00 0.00 176.35 179.73 1twc n GLN 73 N 2.90 1.28 -0.57 1.70 -0.06 -0.06 -4.56 117.38 118.01 1twc n GLN 73 Ca -0.14 0.45 -0.00 0.00 -2.00 0.00 0.00 57.00 55.32 1twc n GLN 73 Cb 0.57 -1.91 -0.00 0.00 -4.06 0.00 0.00 30.24 24.84 1twc n GLN 73 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1twc n SER 74 N 0.88 -0.01 -0.15 1.69 7.64 0.25 -2.12 113.62 121.81 1twc n SER 74 Ca 0.10 -1.51 -0.08 0.00 1.01 0.00 0.00 58.87 58.39 1twc n SER 74 Cb 0.36 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1twc n SER 74 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1twc h MET 75 N 0.04 0.62 -1.67 1.43 -1.53 -1.63 -3.12 114.93 109.07 1twc h MET 75 Ca -0.04 -0.08 -0.46 0.00 -3.44 0.00 0.00 59.70 55.68 1twc h MET 75 Cb 1.22 -0.12 -0.18 0.00 -0.55 0.00 0.00 31.60 31.98 1twc h MET 75 CO -0.01 0.52 0.50 -0.25 0.14 0.00 0.00 176.91 177.80 1twc n ASP 76 N -4.68 6.68 0.03 1.39 8.00 -0.60 -4.52 116.55 122.85 1twc n ASP 76 Ca 0.01 -3.25 0.11 0.00 0.71 0.00 0.00 54.79 52.37 1twc n ASP 76 Cb 0.10 -1.12 0.02 0.00 -0.02 0.00 0.00 41.12 40.10 1twc n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twc n ILE 77 N 0.35 0.18 0.18 0.53 0.13 -1.18 -2.39 119.36 117.16 1twc n ILE 77 Ca 0.42 -0.25 0.03 0.00 -1.10 0.00 0.00 62.75 61.85 1twc n ILE 77 Cb 0.56 0.19 0.11 0.00 -0.84 0.00 0.00 39.64 39.67 1twc n ILE 77 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1twc n GLU 78 N -1.98 0.00 -0.10 9.51 1.02 -1.26 -2.06 120.64 125.77 1twc n GLU 78 Ca 0.02 0.40 0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1twc n GLU 78 Cb 0.44 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.45 1twc n GLU 78 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1twc n GLN 79 N -1.49 2.82 -4.29 3.49 6.02 -1.01 -4.80 117.38 118.13 1twc n GLN 79 Ca 0.01 -1.88 -0.34 0.00 -0.01 0.00 0.00 57.00 54.78 1twc n GLN 79 Cb 0.06 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 30.02 1twc n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1twc s LEU 80 N -1.25 3.52 0.21 1.08 2.96 -0.88 -5.02 118.68 119.31 1twc s LEU 80 Ca 0.14 0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1twc s LEU 80 Cb 0.09 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 1twc s LEU 80 CO 0.07 0.25 0.56 -1.61 -1.32 0.00 0.00 176.35 174.30 1twc s GLU 81 N -0.09 3.86 0.05 1.98 0.41 -0.72 -5.00 118.70 119.19 1twc s GLU 81 Ca 0.04 0.36 -0.34 0.00 -0.41 0.00 0.00 54.97 54.61 1twc s GLU 81 Cb -0.13 -2.70 -0.13 0.00 -1.78 0.00 0.00 34.13 29.39 1twc s GLU 81 CO 0.02 0.35 1.70 0.66 -0.49 0.00 0.00 175.26 177.50 1twc n TYR 82 N 0.09 2.27 0.03 1.61 4.02 -1.26 -4.16 117.16 119.75 1twc n TYR 82 Ca -0.01 0.17 0.21 0.00 -0.01 0.00 0.00 57.90 58.26 1twc n TYR 82 Cb 0.52 -2.59 0.59 0.00 -0.02 0.00 0.00 39.34 37.84 1twc n TYR 82 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1twc h SER 83 N 7.29 0.00 0.66 7.72 0.87 -1.89 0.46 113.55 128.65 1twc h SER 83 Ca -0.47 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.84 1twc h SER 83 Cb 1.27 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 1twc h SER 83 CO 0.91 0.00 -1.48 0.08 -0.53 0.00 0.00 176.83 175.81 1twc h ARG 84 N 0.00 0.00 0.00 2.24 0.11 -1.93 -3.13 114.38 111.67 1twc h ARG 84 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1twc h ARG 84 Cb 1.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.86 1twc h ARG 84 CO -0.00 0.57 0.00 -0.44 0.10 0.00 0.00 179.97 180.20 1twc h ASP 85 N 0.00 0.00 -3.61 0.08 3.32 -1.30 -3.48 116.42 111.43 1twc h ASP 85 Ca -0.20 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.34 1twc h ASP 85 Cb 1.89 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.41 1twc h ASP 85 CO 0.09 0.00 0.09 0.00 -1.72 0.00 0.00 179.24 177.69 1twc n PHE 87 N 0.28 0.18 -1.52 0.00 3.01 -1.26 -4.82 117.46 113.33 1twc n PHE 87 Ca -0.00 -0.09 -0.30 0.00 1.01 0.00 0.00 57.45 58.07 1twc n PHE 87 Cb 0.52 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.19 1twc n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1twc s GLU 89 N -5.58 4.21 4.98 0.00 2.12 -1.26 -4.89 118.70 118.28 1twc s GLU 89 Ca 0.71 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.52 1twc s GLU 89 Cb -0.08 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1twc s GLU 89 CO 0.54 -0.15 0.00 -3.47 -0.54 0.00 0.00 175.26 171.64 1twc n ASP 90 N 4.77 0.00 -4.40 -1.70 2.03 -1.26 -4.75 116.55 111.24 1twc n ASP 90 Ca -0.04 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.08 1twc n ASP 90 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 1twc n ASP 90 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1twc s HIS 91 N 0.00 1.80 0.00 -0.67 -3.43 -1.26 -4.98 115.29 106.75 1twc s HIS 91 Ca 0.00 -1.05 0.00 0.00 -0.80 0.00 0.00 55.06 53.21 1twc s HIS 91 Cb 0.00 -1.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.02 1twc s HIS 91 CO 0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 174.74 172.61 1twc h ASP 93 N 0.00 0.00 1.80 0.00 3.32 -1.93 -1.75 116.42 117.87 1twc h ASP 93 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1twc h ASP 93 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1twc h ASP 93 CO 0.00 0.00 -0.20 0.11 -1.72 0.00 0.00 179.24 177.43 1twc h LYS 94 N 0.00 0.00 0.00 3.56 1.57 -1.94 -3.39 116.57 116.37 1twc h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1twc h LYS 94 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1twc h LYS 94 CO 0.00 0.05 -0.02 0.00 -0.57 0.00 0.00 179.45 178.91 1twc s SER 96 N -1.18 -0.48 0.01 0.00 1.04 -0.82 -4.42 113.70 107.84 1twc s SER 96 Ca 0.06 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 56.97 1twc s SER 96 Cb 0.05 1.37 -0.05 0.00 0.10 0.00 0.00 66.02 67.49 1twc s SER 96 CO 0.01 -0.11 0.71 -0.69 0.98 0.00 0.00 173.24 174.14 1twc s VAL 97 N 1.79 4.85 -0.21 5.02 1.01 -1.23 -4.39 120.40 127.24 1twc s VAL 97 Ca -0.06 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.35 1twc s VAL 97 Cb -0.04 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1twc s VAL 97 CO -0.16 0.35 0.07 -0.69 0.00 0.00 0.00 175.10 174.67 1twc s VAL 98 N 0.13 4.64 0.17 2.92 1.01 -1.26 -1.89 120.40 126.11 1twc s VAL 98 Ca 0.37 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.37 1twc s VAL 98 Cb -0.19 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1twc s VAL 98 CO 0.21 0.41 -0.18 -0.76 0.00 0.00 0.00 175.10 174.78 1twc s LEU 99 N 0.81 2.68 0.12 3.92 1.02 0.56 -1.75 118.68 126.04 1twc s LEU 99 Ca 0.04 -0.69 0.09 0.00 0.02 0.00 0.00 54.13 53.58 1twc s LEU 99 Cb -0.14 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 1twc s LEU 99 CO 0.02 0.13 -0.22 -0.89 0.02 0.00 0.00 176.35 175.41 1twc s THR 100 N -1.53 1.85 -0.07 5.49 2.01 0.19 -1.45 115.64 122.14 1twc s THR 100 Ca 0.21 -1.64 -0.02 0.00 0.31 0.00 0.00 61.69 60.55 1twc s THR 100 Cb -0.09 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.76 1twc s THR 100 CO 0.12 -0.06 0.06 -0.22 -0.69 0.00 0.00 174.62 173.82 1twc s LEU 101 N -2.04 0.24 -0.02 4.42 2.96 -0.48 -0.67 118.68 123.09 1twc s LEU 101 Ca 0.09 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1twc s LEU 101 Cb -0.09 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.39 1twc s LEU 101 CO 0.05 -0.26 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.62 1twc s GLN 102 N 2.13 0.96 -0.11 1.98 -0.21 -1.26 -1.83 119.66 121.32 1twc s GLN 102 Ca 0.04 -0.34 -0.18 0.00 0.02 0.00 0.00 55.36 54.91 1twc s GLN 102 Cb -0.13 -0.90 0.04 0.00 1.00 0.00 0.00 33.01 33.02 1twc s GLN 102 CO -0.04 0.16 0.45 0.00 -2.12 0.00 0.00 175.29 173.73 1twc s ALA 103 N 0.03 -1.12 -0.04 6.09 0.00 -0.63 -5.02 121.76 121.08 1twc s ALA 103 Ca -0.01 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1twc s ALA 103 Cb -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1twc s ALA 103 CO 0.00 -0.25 0.23 0.12 0.00 0.00 0.00 175.76 175.86 1twc s PHE 104 N -0.36 -0.14 -0.52 0.00 5.36 -1.26 -2.13 117.98 118.94 1twc s PHE 104 Ca -0.05 0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 56.04 1twc s PHE 104 Cb -0.03 0.05 0.12 0.00 -0.34 0.00 0.00 43.02 42.81 1twc s PHE 104 CO 0.03 -0.27 0.47 0.20 -1.46 0.00 0.00 175.22 174.19 1twc s GLY 105 N -0.84 2.08 -0.24 13.12 0.00 -0.80 -4.81 107.32 115.83 1twc s GLY 105 Ca -0.09 -2.48 -0.17 0.00 0.00 0.00 0.00 44.72 41.99 1twc s GLY 105 CO 0.02 1.17 -0.16 -2.21 0.00 0.00 0.00 173.10 171.92 1twc n GLU 106 N 5.20 0.57 -0.74 2.90 4.07 -1.26 -2.46 120.64 128.92 1twc n GLU 106 Ca -0.13 0.37 -0.32 0.00 -0.06 0.00 0.00 57.16 57.02 1twc n GLU 106 Cb 0.41 -1.58 0.14 0.00 -0.06 0.00 0.00 31.44 30.35 1twc n GLU 106 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1twc n SER 107 N -4.34 -1.19 -0.06 4.31 3.41 -1.26 -4.92 113.62 109.57 1twc n SER 107 Ca -0.43 0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1twc n SER 107 Cb 0.77 -1.30 -0.12 0.00 -0.26 0.00 0.00 64.21 63.29 1twc n SER 107 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1twc h GLU 108 N -1.71 -0.00 -7.26 4.33 4.39 -1.99 -3.35 114.58 108.98 1twc h GLU 108 Ca -0.44 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.86 1twc h GLU 108 Cb 1.28 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 30.13 1twc h GLU 108 CO 0.37 0.87 0.04 -1.54 -1.16 0.00 0.00 179.01 177.60 1twc s SER 109 N -6.09 0.21 -0.15 1.42 1.04 -1.26 -4.23 113.70 104.64 1twc s SER 109 Ca -0.18 0.73 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 1twc s SER 109 Cb -0.02 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 1twc s SER 109 CO 0.68 -4.57 0.15 -0.89 0.98 0.00 0.00 173.24 169.59 1twc s THR 110 N -2.74 5.44 -0.23 2.02 2.01 -1.26 -4.55 115.64 116.33 1twc s THR 110 Ca 0.70 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.86 1twc s THR 110 Cb -0.11 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1twc s THR 110 CO 0.57 0.54 0.10 -0.89 -0.69 0.00 0.00 174.62 174.24 1twc s THR 111 N -0.40 4.76 0.25 -0.82 2.01 0.07 -4.92 115.64 116.58 1twc s THR 111 Ca 0.13 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 1twc s THR 111 Cb -0.12 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1twc s THR 111 CO 0.02 0.37 0.54 0.20 -0.69 0.00 0.00 174.62 175.06 1twc s ASN 112 N 1.12 6.52 -0.23 3.53 0.02 -1.26 -0.65 114.94 124.00 1twc s ASN 112 Ca 0.05 0.79 -0.06 0.00 -1.02 0.00 0.00 52.86 52.62 1twc s ASN 112 Cb -0.14 -2.18 -0.02 0.00 0.02 0.00 0.00 41.25 38.93 1twc s ASN 112 CO 0.04 -0.13 0.03 -0.69 0.02 0.00 0.00 177.10 176.38 1twc s VAL 113 N -1.94 4.07 0.51 1.60 1.01 -0.82 -4.93 120.40 119.90 1twc s VAL 113 Ca 0.45 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1twc s VAL 113 Cb -0.11 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1twc s VAL 113 CO 0.26 0.38 0.08 -0.31 0.00 0.00 0.00 175.10 175.51 1twc s TYR 114 N 1.41 1.86 -0.15 5.22 1.51 -1.26 -1.42 117.35 124.52 1twc s TYR 114 Ca 0.05 -0.92 0.16 0.00 -1.01 0.00 0.00 57.07 55.36 1twc s TYR 114 Cb -0.15 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 1twc s TYR 114 CO 0.02 0.11 1.15 0.66 -1.11 0.00 0.00 175.55 176.38 1twc h SER 115 N 1.25 0.00 -0.38 2.29 4.64 -1.10 -2.10 113.55 118.15 1twc h SER 115 Ca -0.43 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.00 1twc h SER 115 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1twc h SER 115 CO 0.71 0.49 0.61 0.07 -0.87 0.00 0.00 176.83 177.85 1twc h LYS 116 N 0.00 0.00 0.00 4.77 2.10 -1.79 -0.21 116.57 121.43 1twc h LYS 116 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1twc h LYS 116 Cb 1.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 1twc h LYS 116 CO 0.05 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.25 1twc n ASP 117 N -3.29 0.00 -4.67 7.07 8.00 -0.79 -4.73 116.55 118.13 1twc n ASP 117 Ca 0.07 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 54.05 1twc n ASP 117 Cb 0.76 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 1twc n ASP 117 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1twc s LEU 118 N -1.32 4.18 -0.24 0.64 1.43 -0.09 -4.52 118.68 118.75 1twc s LEU 118 Ca 0.10 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1twc s LEU 118 Cb 0.05 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1twc s LEU 118 CO 0.08 -0.22 0.05 -0.69 0.23 0.00 0.00 176.35 175.80 1twc s VAL 119 N 1.61 4.18 0.46 -1.59 1.01 0.15 -4.91 120.40 121.31 1twc s VAL 119 Ca 0.29 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 1twc s VAL 119 Cb -0.16 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1twc s VAL 119 CO 0.11 0.36 1.14 -0.63 0.00 0.00 0.00 175.10 176.08 1twc s ILE 120 N 1.53 3.22 0.00 2.22 1.09 -1.26 0.57 121.20 128.57 1twc s ILE 120 Ca 0.06 0.89 0.16 0.00 -1.10 0.00 0.00 60.65 60.66 1twc s ILE 120 Cb -0.15 -3.44 0.27 0.00 -1.06 0.00 0.00 42.46 38.08 1twc s ILE 120 CO 0.03 -0.04 1.10 0.52 -0.10 0.00 0.00 174.94 176.45 1twc n VAL 121 N -0.56 0.00 -4.08 2.92 0.31 -0.72 -4.87 118.33 111.33 1twc n VAL 121 Ca 0.08 -0.62 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 1twc n VAL 121 Cb 0.49 0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 34.15 1twc n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1twc s SER 122 N -1.61 0.02 -0.44 4.52 1.04 -1.26 -4.89 113.70 111.09 1twc s SER 122 Ca 0.21 -1.13 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 1twc s SER 122 Cb 0.24 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.89 1twc s SER 122 CO -0.11 -1.02 0.76 0.21 0.98 0.00 0.00 173.24 174.06 1twc s ASN 123 N -3.08 6.41 0.00 7.02 2.47 -1.26 -4.92 114.94 121.58 1twc s ASN 123 Ca 0.29 -0.09 0.10 0.00 0.42 0.00 0.00 52.86 53.58 1twc s ASN 123 Cb 0.02 -2.38 0.51 0.00 -1.45 0.00 0.00 41.25 37.96 1twc s ASN 123 CO 0.10 -0.87 1.19 0.18 -3.72 0.00 0.00 177.10 173.99 1twc n LEU 124 N 6.61 0.00 -4.13 3.21 4.77 -1.26 -4.87 117.00 121.33 1twc n LEU 124 Ca 0.02 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 1twc n LEU 124 Cb 0.48 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1twc n LEU 124 CO 0.57 -0.18 -0.13 0.23 -1.33 0.00 0.00 177.39 176.55 1twc n MET 125 N -1.26 -0.98 -1.29 3.23 2.81 -1.26 -1.91 117.12 116.45 1twc n MET 125 Ca 0.05 0.12 -0.02 0.00 -1.81 0.00 0.00 57.70 56.04 1twc n MET 125 Cb 0.08 -4.41 -0.01 0.00 -0.71 0.00 0.00 33.22 28.17 1twc n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1twc n GLY 126 N -0.96 0.07 3.69 3.03 0.00 -1.26 -4.94 105.19 104.82 1twc n GLY 126 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1twc n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twc s ARG 127 N -2.63 4.22 -1.02 1.61 0.52 -0.80 -4.96 118.95 115.88 1twc s ARG 127 Ca 0.00 2.25 -0.23 0.00 -0.52 0.00 0.00 55.73 57.23 1twc s ARG 127 Cb 0.00 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1twc s ARG 127 CO 0.00 -0.69 1.85 1.21 0.02 0.00 0.00 175.30 177.69 1twc s ASN 128 N 2.22 5.46 0.10 0.23 2.47 -1.26 -4.90 114.94 119.26 1twc s ASN 128 Ca 0.71 -1.18 -0.09 0.00 0.42 0.00 0.00 52.86 52.72 1twc s ASN 128 Cb -0.38 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 36.85 1twc s ASN 128 CO 0.31 -2.51 0.22 0.27 -3.72 0.00 0.00 177.10 171.67 1twc s ILE 129 N 9.07 0.13 0.00 -5.21 -4.36 -1.26 -1.56 121.20 118.00 1twc s ILE 129 Ca 0.65 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.89 1twc s ILE 129 Cb -0.03 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 42.30 1twc s ILE 129 CO 0.02 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.23 1twc n GLY 130 N -0.09 2.68 3.70 6.27 0.00 -0.90 -4.87 105.19 111.98 1twc n GLY 130 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1twc n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1twc s HIS 131 N -2.68 3.34 -0.18 1.61 3.76 -1.26 -4.50 115.29 115.38 1twc s HIS 131 Ca 0.00 1.31 -0.40 0.00 -0.15 0.00 0.00 55.06 55.81 1twc s HIS 131 Cb 0.00 -3.39 -0.17 0.00 1.11 0.00 0.00 32.58 30.13 1twc s HIS 131 CO 0.00 -1.15 1.52 -2.30 -0.85 0.00 0.00 174.74 171.96 1twc n PRO 132 N 4.55 0.80 -2.57 8.40 -0.02 -1.26 -0.88 135.00 144.01 1twc n PRO 132 Ca 0.10 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 1twc n PRO 132 Cb 0.47 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1twc n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1twc s ILE 133 N 2.11 3.69 -0.09 4.25 -1.09 -1.04 -4.85 121.20 124.18 1twc s ILE 133 Ca 0.95 1.66 -0.04 0.00 -2.23 0.00 0.00 60.65 60.99 1twc s ILE 133 Cb -1.14 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 35.75 1twc s ILE 133 CO 0.62 0.36 0.19 -0.63 -1.23 0.00 0.00 174.94 174.25 1twc s ILE 134 N -1.23 -0.27 0.00 2.92 -1.09 -1.26 -4.73 121.20 115.54 1twc s ILE 134 Ca 0.45 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1twc s ILE 134 Cb -0.29 -0.33 0.00 0.00 -1.58 0.00 0.00 42.46 40.26 1twc s ILE 134 CO 0.37 0.13 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 1twc n GLN 135 N 5.19 2.45 -2.78 2.79 6.02 -1.26 -5.01 117.38 124.78 1twc n GLN 135 Ca -0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 1twc n GLN 135 Cb 0.50 -0.25 -0.05 0.00 1.02 0.00 0.00 30.24 31.45 1twc n GLN 135 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1twc s ASP 136 N -0.26 7.55 0.20 1.08 -4.77 -1.26 -4.95 116.67 114.25 1twc s ASP 136 Ca 0.00 1.84 0.11 0.00 -3.30 0.00 0.00 52.55 51.19 1twc s ASP 136 Cb 0.00 -2.58 0.71 0.00 -1.09 0.00 0.00 42.92 39.95 1twc s ASP 136 CO 0.00 0.09 0.84 1.17 0.70 0.00 0.00 175.17 177.97 1twc n LYS 137 N 1.99 -0.03 0.00 2.11 4.81 -1.26 0.38 118.16 126.16 1twc n LYS 137 Ca -0.01 0.74 0.13 0.00 -0.87 0.00 0.00 58.31 58.30 1twc n LYS 137 Cb 0.48 -1.32 0.38 0.00 0.02 0.00 0.00 35.03 34.59 1twc n LYS 137 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1twc n GLU 138 N -4.22 1.10 -3.22 1.64 -0.58 -1.26 -4.94 120.64 109.15 1twc n GLU 138 Ca 0.20 -0.67 -0.23 0.00 -0.42 0.00 0.00 57.16 56.04 1twc n GLU 138 Cb 0.68 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 30.07 1twc n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1twc n GLY 139 N 1.31 -0.50 0.13 0.62 0.00 0.16 -4.96 105.19 101.95 1twc n GLY 139 Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.28 1twc n GLY 139 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1twc h ASN 140 N -1.15 0.00 0.00 1.61 2.35 -1.92 -3.44 115.58 113.03 1twc h ASN 140 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1twc h ASN 140 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1twc h ASN 140 CO 0.55 0.54 0.00 0.61 -1.65 0.00 0.00 177.43 177.48 1twc n GLY 141 N 1.24 2.99 3.78 2.83 0.00 -1.26 -2.62 105.19 112.15 1twc n GLY 141 Ca 0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1twc n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twc s VAL 142 N 0.00 4.66 -0.27 1.61 1.01 -1.26 -4.69 120.40 121.46 1twc s VAL 142 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1twc s VAL 142 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1twc s VAL 142 CO 0.00 0.47 1.36 -0.22 0.00 0.00 0.00 175.10 176.72 1twc s LEU 143 N -0.68 3.91 -0.22 3.92 2.96 -1.26 -1.52 118.68 125.79 1twc s LEU 143 Ca 0.34 1.34 -0.13 0.00 -0.22 0.00 0.00 54.13 55.46 1twc s LEU 143 Cb -0.21 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.77 1twc s LEU 143 CO 0.22 -1.09 0.01 -0.38 -1.32 0.00 0.00 176.35 173.79 1twc n ILE 144 N 6.17 1.58 -3.71 6.68 2.08 -0.51 -4.98 119.36 126.67 1twc n ILE 144 Ca 0.15 -0.34 -0.08 0.00 0.56 0.00 0.00 62.75 63.04 1twc n ILE 144 Cb 0.46 -1.84 0.02 0.00 -0.75 0.00 0.00 39.64 37.53 1twc n ILE 144 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1twc s LYS 146 N -2.17 0.05 0.13 0.00 1.02 -1.26 -1.94 119.74 115.57 1twc s LYS 146 Ca 0.15 0.35 0.08 0.00 0.02 0.00 0.00 55.97 56.57 1twc s LYS 146 Cb -0.04 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1twc s LYS 146 CO 0.11 -0.19 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.72 1twc s LEU 147 N 1.30 2.93 0.32 3.17 1.43 0.18 -4.67 118.68 123.33 1twc s LEU 147 Ca -0.07 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1twc s LEU 147 Cb -0.12 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 1twc s LEU 147 CO -0.05 0.15 0.68 -0.60 0.23 0.00 0.00 176.35 176.76 1twc s ARG 148 N -2.40 3.86 -0.36 1.70 3.52 -1.26 -0.75 118.95 123.25 1twc s ARG 148 Ca 0.22 0.45 -0.40 0.00 -0.13 0.00 0.00 55.73 55.87 1twc s ARG 148 Cb -0.10 -2.50 -0.15 0.00 -1.56 0.00 0.00 34.95 30.64 1twc s ARG 148 CO 0.13 0.16 1.95 1.17 -0.81 0.00 0.00 175.30 177.90 1twc n LYS 149 N -0.59 0.84 0.00 5.12 3.00 -1.26 -1.27 118.16 124.00 1twc n LYS 149 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1twc n LYS 149 Cb 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.49 1twc n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1twc n GLY 150 N 5.57 1.09 3.80 3.14 0.00 -1.03 -5.02 105.19 112.74 1twc n GLY 150 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1twc n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1twc s GLN 151 N 0.00 2.94 0.03 1.61 -0.21 -0.39 -4.89 119.66 118.75 1twc s GLN 151 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1twc s GLN 151 Cb 0.00 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.26 1twc s GLN 151 CO 0.00 0.54 -0.06 -2.00 -2.12 0.00 0.00 175.29 171.65 1twc s GLU 152 N -2.66 0.44 -0.06 2.91 2.12 -1.26 -1.91 118.70 118.28 1twc s GLU 152 Ca 0.30 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1twc s GLU 152 Cb -0.11 -0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.11 1twc s GLU 152 CO 0.23 0.03 0.09 -1.17 -0.54 0.00 0.00 175.26 173.90 1twc s LEU 153 N -1.30 0.08 -0.04 2.70 2.96 -0.90 -1.42 118.68 120.76 1twc s LEU 153 Ca -0.09 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1twc s LEU 153 Cb -0.09 -0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.60 1twc s LEU 153 CO -0.00 -0.25 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.18 1twc s LYS 154 N 2.21 0.89 0.00 1.98 1.02 0.39 -1.61 119.74 124.62 1twc s LYS 154 Ca 0.04 -0.14 -0.05 0.00 0.02 0.00 0.00 55.97 55.84 1twc s LYS 154 Cb -0.12 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1twc s LYS 154 CO -0.04 -0.05 0.09 -0.51 -0.92 0.00 0.00 175.35 173.92 1twc s LEU 155 N 0.81 1.73 0.09 3.17 1.43 -0.76 0.17 118.68 125.32 1twc s LEU 155 Ca -0.11 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1twc s LEU 155 Cb -0.14 0.51 -0.04 0.00 0.03 0.00 0.00 46.19 46.55 1twc s LEU 155 CO 0.01 -0.33 -0.25 -0.89 0.23 0.00 0.00 176.35 175.12 1twc s THR 156 N -1.30 2.35 0.05 5.49 2.01 -0.79 -1.38 115.64 122.08 1twc s THR 156 Ca -0.14 -1.55 0.08 0.00 0.31 0.00 0.00 61.69 60.39 1twc s THR 156 Cb -0.08 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1twc s THR 156 CO 0.01 0.20 -0.23 0.00 -0.69 0.00 0.00 174.62 173.91 1twc s VAL 158 N -0.88 3.22 0.50 0.00 1.01 -0.16 -0.32 120.40 123.76 1twc s VAL 158 Ca 0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1twc s VAL 158 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1twc s VAL 158 CO 0.04 0.45 0.85 0.00 0.00 0.00 0.00 175.10 176.44 1twc s ALA 159 N 1.25 3.30 -0.02 5.51 0.00 -0.79 -1.91 121.76 129.10 1twc s ALA 159 Ca 0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 1twc s ALA 159 Cb -0.14 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1twc s ALA 159 CO -0.03 -0.35 0.50 0.15 0.00 0.00 0.00 175.76 176.04 1twc s LYS 160 N -4.60 0.90 0.46 0.00 1.02 -0.81 -3.57 119.74 113.15 1twc s LYS 160 Ca 0.51 -0.02 -0.18 0.00 0.02 0.00 0.00 55.97 56.30 1twc s LYS 160 Cb -0.10 0.41 -0.09 0.00 -0.52 0.00 0.00 37.83 37.53 1twc s LYS 160 CO 0.43 -0.28 0.94 0.21 -0.92 0.00 0.00 175.35 175.74 1twc s LYS 161 N -1.49 4.05 -0.06 1.68 2.20 -1.26 -1.77 119.74 123.08 1twc s LYS 161 Ca -0.11 0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 56.16 1twc s LYS 161 Cb -0.02 -2.19 0.11 0.00 -1.51 0.00 0.00 37.83 34.23 1twc s LYS 161 CO 0.05 -0.14 1.05 0.20 -0.36 0.00 0.00 175.35 176.16 1twc s GLY 162 N -2.70 -0.37 0.06 5.54 0.00 -0.56 -4.85 107.32 104.44 1twc s GLY 162 Ca 0.59 1.09 0.09 0.00 0.00 0.00 0.00 44.72 46.50 1twc s GLY 162 CO 0.24 0.35 -0.25 -0.42 0.00 0.00 0.00 173.10 173.02 1twc s ILE 163 N -2.81 2.00 0.42 0.90 -1.09 -1.26 -2.08 121.20 117.28 1twc s ILE 163 Ca 0.08 -1.38 0.10 0.00 -2.23 0.00 0.00 60.65 57.22 1twc s ILE 163 Cb -0.00 -1.73 0.22 0.00 -1.58 0.00 0.00 42.46 39.37 1twc s ILE 163 CO -0.06 0.28 2.02 0.00 -1.23 0.00 0.00 174.94 175.95 1twc h ALA 164 N 4.69 1.69 -0.69 9.38 0.00 -1.55 -1.45 119.26 131.33 1twc h ALA 164 Ca -0.46 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 54.61 1twc h ALA 164 Cb 1.15 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1twc h ALA 164 CO 0.43 0.24 0.25 1.63 0.00 0.00 0.00 179.25 181.81 1twc n LYS 165 N -4.40 -0.05 0.06 0.00 5.02 -0.59 -0.76 118.16 117.44 1twc n LYS 165 Ca 0.00 0.98 -0.23 0.00 -2.02 0.00 0.00 58.31 57.04 1twc n LYS 165 Cb 0.16 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 1twc n LYS 165 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1twc h GLU 166 N 0.00 0.37 -1.71 1.97 4.81 -1.58 -3.46 114.58 114.98 1twc h GLU 166 Ca 0.53 -0.64 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1twc h GLU 166 Cb 1.32 0.24 -0.25 0.00 0.63 0.00 0.00 28.75 30.69 1twc h GLU 166 CO -0.57 1.30 0.35 -1.58 -0.73 0.00 0.00 179.01 177.79 1twc s HIS 167 N -2.57 -0.58 -0.01 0.92 5.04 0.06 -5.03 115.29 113.12 1twc s HIS 167 Ca -0.17 1.39 0.27 0.00 -1.54 0.00 0.00 55.06 55.01 1twc s HIS 167 Cb 0.05 0.34 1.45 0.00 0.04 0.00 0.00 32.58 34.47 1twc s HIS 167 CO 0.84 -0.28 1.82 0.00 -2.34 0.00 0.00 174.74 174.78 1twc h ALA 168 N 4.58 1.00 -0.23 1.58 0.00 -1.81 -2.27 119.26 122.12 1twc h ALA 168 Ca -0.28 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1twc h ALA 168 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1twc h ALA 168 CO 0.10 0.00 0.18 1.57 0.00 0.00 0.00 179.25 181.10 1twc h LYS 169 N 0.00 0.00 -0.05 0.00 2.10 -1.87 -2.02 116.57 114.73 1twc h LYS 169 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1twc h LYS 169 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1twc h LYS 169 CO 0.00 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.36 1twc n TRP 170 N -4.24 0.07 -3.11 0.07 8.01 -0.85 -4.86 117.44 112.52 1twc n TRP 170 Ca 0.02 -0.04 -0.39 0.00 -1.31 0.00 0.00 57.50 55.78 1twc n TRP 170 Cb 0.33 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.57 1twc n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1twc s GLY 171 N -1.06 2.44 0.17 6.99 0.00 -0.76 -3.96 107.32 111.13 1twc s GLY 171 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 44.72 44.88 1twc s GLY 171 CO 0.05 1.14 1.25 -0.56 0.00 0.00 0.00 173.10 174.97 1twc h PRO 172 N 6.91 0.00 -6.71 2.90 0.13 -1.84 -3.47 132.00 129.93 1twc h PRO 172 Ca -0.39 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.25 1twc h PRO 172 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1twc h PRO 172 CO 0.76 0.68 0.07 0.00 -0.23 0.00 0.00 178.00 179.28 1twc s ALA 173 N -2.83 3.36 0.00 -0.56 0.00 -1.26 -1.83 121.76 118.64 1twc s ALA 173 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1twc s ALA 173 Cb 0.09 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1twc s ALA 173 CO 0.79 0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.85 1twc n ALA 174 N -0.48 0.00 -1.76 0.00 0.00 -0.63 -4.80 120.51 112.83 1twc n ALA 174 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1twc n ALA 174 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1twc n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twc s ALA 175 N -2.66 2.77 -0.32 0.00 0.00 -1.26 -4.78 121.76 115.51 1twc s ALA 175 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1twc s ALA 175 Cb 0.00 -3.30 0.10 0.00 0.00 0.00 0.00 23.12 19.92 1twc s ALA 175 CO 0.00 -0.58 0.06 0.42 0.00 0.00 0.00 175.76 175.67 1twc s ILE 176 N -1.95 1.59 0.60 0.00 1.01 -1.26 -3.08 121.20 118.11 1twc s ILE 176 Ca 0.69 -1.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 1twc s ILE 176 Cb -0.19 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1twc s ILE 176 CO 0.25 -0.59 1.30 -1.61 0.00 0.00 0.00 174.94 174.29 1twc s GLU 177 N 1.26 2.82 -0.30 2.79 2.02 -0.70 -4.91 118.70 121.68 1twc s GLU 177 Ca 0.09 2.08 -0.13 0.00 0.02 0.00 0.00 54.97 57.03 1twc s GLU 177 Cb -0.18 -2.00 0.14 0.00 0.10 0.00 0.00 34.13 32.19 1twc s GLU 177 CO -0.15 -1.39 0.80 0.12 0.02 0.00 0.00 175.26 174.65 1twc s PHE 178 N -1.39 -1.03 0.16 1.61 5.99 -1.26 -3.60 117.98 118.46 1twc s PHE 178 Ca 0.78 1.80 -0.12 0.00 0.00 0.00 0.00 56.93 59.39 1twc s PHE 178 Cb -0.37 0.62 0.01 0.00 0.00 0.00 0.00 43.02 43.27 1twc s PHE 178 CO 0.41 -0.51 0.35 -2.00 -0.00 0.00 0.00 175.22 173.48 1twc s GLU 179 N 2.57 1.17 -0.05 10.12 2.12 -1.24 -4.98 118.70 128.39 1twc s GLU 179 Ca -0.05 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 53.98 1twc s GLU 179 Cb -0.09 0.43 0.08 0.00 0.26 0.00 0.00 34.13 34.81 1twc s GLU 179 CO -0.18 -0.45 0.75 1.52 -0.54 0.00 0.00 175.26 176.36 1twc s TYR 180 N -3.91 -0.57 -1.29 5.30 -0.85 -1.26 -1.58 117.35 113.19 1twc s TYR 180 Ca 0.11 0.91 -0.02 0.00 -0.52 0.00 0.00 57.07 57.56 1twc s TYR 180 Cb 0.02 0.44 -0.00 0.00 0.38 0.00 0.00 41.96 42.79 1twc s TYR 180 CO -0.04 -0.57 0.70 -3.47 -1.52 0.00 0.00 175.55 170.65 1twc n ASP 181 N 0.71 -1.61 -0.11 -0.18 2.03 -1.26 -4.82 116.55 111.31 1twc n ASP 181 Ca -0.16 -0.84 0.27 0.00 0.52 0.00 0.00 54.79 54.58 1twc n ASP 181 Cb 0.58 -4.02 0.67 0.00 -0.72 0.00 0.00 41.12 37.63 1twc n ASP 181 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1twc h PRO 182 N -1.84 0.00 0.00 -0.67 0.13 -1.93 -3.40 132.00 124.29 1twc h PRO 182 Ca -0.62 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.31 1twc h PRO 182 Cb 1.36 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.51 1twc h PRO 182 CO 0.56 0.00 0.02 0.91 -0.23 0.00 0.00 178.00 179.26 1twc n TRP 183 N -3.71 -3.02 -3.54 1.56 7.02 -1.26 -4.74 117.44 109.75 1twc n TRP 183 Ca 0.17 -0.80 -0.27 0.00 -1.02 0.00 0.00 57.50 55.58 1twc n TRP 183 Cb 1.05 -0.28 -0.10 0.00 -2.42 0.00 0.00 31.31 29.56 1twc n TRP 183 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1twc n ASN 184 N -2.88 2.17 -0.10 -0.99 5.15 -1.26 -4.79 115.26 112.56 1twc n ASN 184 Ca 0.07 -3.05 -0.14 0.00 -0.60 0.00 0.00 54.58 50.86 1twc n ASN 184 Cb 0.25 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 38.69 1twc n ASN 184 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1twc n LYS 185 N 1.66 0.67 0.01 1.20 4.81 -1.26 -2.72 118.16 122.54 1twc n LYS 185 Ca 0.25 0.09 0.01 0.00 -0.87 0.00 0.00 58.31 57.79 1twc n LYS 185 Cb 0.42 -1.54 0.04 0.00 0.02 0.00 0.00 35.03 33.97 1twc n LYS 185 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1twc n LEU 186 N -3.02 0.04 -4.29 3.14 4.32 -1.26 -4.70 117.00 111.23 1twc n LEU 186 Ca -0.38 0.46 -0.33 0.00 -0.02 0.00 0.00 56.01 55.74 1twc n LEU 186 Cb 1.08 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 42.33 1twc n LEU 186 CO 0.36 -0.47 -0.35 0.29 -1.22 0.00 0.00 177.39 176.00 1twc n LYS 187 N -1.50 -0.87 0.12 3.23 5.02 -1.10 -4.86 118.16 118.20 1twc n LYS 187 Ca -0.00 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1twc n LYS 187 Cb 0.07 -3.78 0.45 0.00 -0.02 0.00 0.00 35.03 31.74 1twc n LYS 187 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1twc n HIS 188 N -4.23 0.90 -4.00 2.13 8.25 -1.26 -4.83 115.22 112.18 1twc n HIS 188 Ca -0.16 0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.51 1twc n HIS 188 Cb 0.58 -0.99 -0.11 0.00 1.12 0.00 0.00 29.99 30.59 1twc n HIS 188 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1twc s THR 189 N -3.21 0.15 -0.19 1.59 -1.32 -1.26 -5.15 115.64 106.25 1twc s THR 189 Ca 0.08 -1.04 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 1twc s THR 189 Cb 0.11 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.68 1twc s THR 189 CO 0.50 -0.56 -0.13 -0.62 -2.21 0.00 0.00 174.62 171.60 1twc s ASP 190 N -1.67 3.23 -0.10 8.08 2.15 -1.26 -5.06 116.67 122.04 1twc s ASP 190 Ca -0.13 -0.77 -0.15 0.00 0.43 0.00 0.00 52.55 51.93 1twc s ASP 190 Cb -0.08 -1.29 -0.05 0.00 -0.30 0.00 0.00 42.92 41.20 1twc s ASP 190 CO -0.02 -0.09 0.38 -0.31 -0.17 0.00 0.00 175.17 174.95 1twc s TYR 191 N 1.38 3.56 0.35 -5.34 4.12 -1.26 -5.00 117.35 115.15 1twc s TYR 191 Ca 0.01 0.80 -0.27 0.00 0.02 0.00 0.00 57.07 57.63 1twc s TYR 191 Cb -0.15 -2.38 -0.09 0.00 -1.52 0.00 0.00 41.96 37.82 1twc s TYR 191 CO -0.10 0.34 1.12 -0.46 0.02 0.00 0.00 175.55 176.47 1twc s TRP 192 N 0.04 3.33 0.10 2.71 -0.00 -1.26 -4.95 118.94 118.91 1twc s TRP 192 Ca 0.21 1.63 -0.26 0.00 -0.00 0.00 0.00 56.10 57.69 1twc s TRP 192 Cb -0.15 -3.29 0.08 0.00 -0.00 0.00 0.00 33.47 30.11 1twc s TRP 192 CO 0.09 -0.85 0.85 1.52 -0.00 0.00 0.00 176.95 178.56 1twc s TYR 193 N -1.36 -0.29 -0.08 5.86 -0.85 -1.26 -4.87 117.35 114.50 1twc s TYR 193 Ca 0.52 0.06 -0.06 0.00 -0.52 0.00 0.00 57.07 57.07 1twc s TYR 193 Cb -0.29 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.62 1twc s TYR 193 CO 0.37 -0.75 -0.12 0.39 -1.52 0.00 0.00 175.55 173.92 1twc n GLU 194 N -0.36 0.23 -0.07 -3.49 1.02 -1.26 -4.91 120.64 111.80 1twc n GLU 194 Ca -0.09 0.24 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1twc n GLU 194 Cb 0.62 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1twc n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1twc n GLN 195 N -3.39 0.46 -3.90 3.49 6.02 -1.26 -5.07 117.38 113.73 1twc n GLN 195 Ca -0.05 0.18 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 1twc n GLN 195 Cb 0.18 -1.31 -0.17 0.00 1.02 0.00 0.00 30.24 29.96 1twc n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1twc s ASP 196 N -5.99 1.41 0.20 1.08 -1.08 -1.26 -5.02 116.67 106.00 1twc s ASP 196 Ca -0.26 -0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 51.55 1twc s ASP 196 Cb 0.04 -0.47 0.23 0.00 -1.46 0.00 0.00 42.92 41.26 1twc s ASP 196 CO 0.38 -0.14 1.72 0.28 0.52 0.00 0.00 175.17 177.92 1twc h SER 197 N 7.94 0.03 -0.04 -0.34 0.02 -1.92 -1.24 113.55 118.00 1twc h SER 197 Ca -0.27 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 1twc h SER 197 Cb 1.13 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1twc h SER 197 CO 0.34 0.04 -0.44 0.00 -1.14 0.00 0.00 176.83 175.63 1twc h ALA 198 N 1.42 0.80 -0.13 3.77 0.00 -1.95 -2.57 119.26 120.59 1twc h ALA 198 Ca 0.27 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1twc h ALA 198 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1twc h ALA 198 CO -0.35 0.66 -0.44 0.87 0.00 0.00 0.00 179.25 179.99 1twc h LYS 199 N 0.47 0.32 0.00 0.00 1.57 -1.88 -3.34 116.57 113.70 1twc h LYS 199 Ca 0.03 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 1twc h LYS 199 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1twc h LYS 199 CO 0.09 0.70 -1.66 0.39 -0.57 0.00 0.00 179.45 178.39 1twc n GLU 200 N -4.00 0.64 -3.54 3.15 1.02 -0.51 -4.83 120.64 112.57 1twc n GLU 200 Ca -0.02 0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.89 1twc n GLU 200 Cb 0.51 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 1twc n GLU 200 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1twc s TRP 201 N -2.91 3.47 0.34 -0.32 0.52 -1.00 -5.07 118.94 113.97 1twc s TRP 201 Ca -0.05 0.61 -0.27 0.00 0.02 0.00 0.00 56.10 56.41 1twc s TRP 201 Cb 0.09 -2.33 -0.09 0.00 -1.15 0.00 0.00 33.47 29.98 1twc s TRP 201 CO 0.83 0.26 1.11 -2.14 0.02 0.00 0.00 176.95 177.03 1twc s PRO 202 N 0.39 4.35 0.14 4.98 0.02 -1.26 -4.90 135.00 138.72 1twc s PRO 202 Ca 0.17 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 1twc s PRO 202 Cb -0.13 -2.88 -0.10 0.00 0.02 0.00 0.00 34.50 31.41 1twc s PRO 202 CO 0.04 -0.04 1.71 -0.65 -0.33 0.00 0.00 177.00 177.73 1twc s GLN 203 N -1.96 4.17 0.61 5.54 -0.21 -1.26 -5.02 119.66 121.52 1twc s GLN 203 Ca 0.51 2.49 -0.18 0.00 0.02 0.00 0.00 55.36 58.20 1twc s GLN 203 Cb -0.29 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.30 1twc s GLN 203 CO 0.37 -0.75 1.19 0.45 -2.12 0.00 0.00 175.29 174.44 1twc s SER 204 N 1.97 5.13 0.09 5.90 0.15 -1.26 -4.94 113.70 120.74 1twc s SER 204 Ca 0.76 2.33 -0.26 0.00 0.70 0.00 0.00 55.95 59.48 1twc s SER 204 Cb -0.45 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.12 1twc s SER 204 CO 0.33 -1.63 1.70 0.07 1.20 0.00 0.00 173.24 174.91 1twc h LYS 205 N 0.72 -0.27 0.00 5.44 5.09 -2.00 0.14 116.57 125.69 1twc h LYS 205 Ca -0.50 0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.26 1twc h LYS 205 Cb 1.29 0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.68 1twc h LYS 205 CO 0.55 -0.18 0.19 0.09 -2.09 0.00 0.00 179.45 178.01 1twc n ASN 206 N -5.22 0.00 -0.03 7.07 3.02 -1.26 -3.03 115.26 115.81 1twc n ASN 206 Ca -0.08 0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 1twc n ASN 206 Cb 0.14 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 1twc n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twc n GLU 208 N -4.56 -0.12 0.00 0.00 1.02 -1.17 -1.35 120.64 114.47 1twc n GLU 208 Ca -0.09 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1twc n GLU 208 Cb 0.45 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1twc n GLU 208 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1twc n TYR 209 N -4.62 0.00 -3.59 -0.32 4.02 -1.24 -4.71 117.16 106.69 1twc n TYR 209 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 1twc n TYR 209 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 1twc n TYR 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1twc s GLU 210 N -1.59 0.81 -0.05 -0.72 2.12 -0.46 -5.14 118.70 113.68 1twc s GLU 210 Ca 0.00 0.60 -0.23 0.00 0.36 0.00 0.00 54.97 55.70 1twc s GLU 210 Cb 0.00 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 1twc s GLU 210 CO 0.00 -0.17 0.68 -0.51 -0.54 0.00 0.00 175.26 174.72 1twc s ASP 211 N -0.30 7.00 0.96 -1.70 1.01 -1.26 -4.98 116.67 117.39 1twc s ASP 211 Ca -0.03 1.20 -0.13 0.00 0.71 0.00 0.00 52.55 54.29 1twc s ASP 211 Cb -0.03 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1twc s ASP 211 CO 0.02 -0.06 0.23 -2.65 0.21 0.00 0.00 175.17 172.92 1twc n PRO 212 N 3.51 -0.26 -2.30 8.23 -0.02 -1.26 -4.97 135.00 137.93 1twc n PRO 212 Ca -0.02 -0.04 -0.27 0.00 -2.02 0.00 0.00 63.50 61.14 1twc n PRO 212 Cb 0.51 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1twc n PRO 212 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1twc s PRO 213 N -3.41 2.86 -0.19 0.52 0.04 -1.26 -5.09 135.00 128.48 1twc s PRO 213 Ca 0.54 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 1twc s PRO 213 Cb -0.21 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1twc s PRO 213 CO 0.70 -0.79 -0.02 -0.80 0.04 0.00 0.00 177.00 176.12 1twc s ASN 214 N -4.33 4.69 0.49 6.66 0.01 -1.26 -5.03 114.94 116.17 1twc s ASN 214 Ca 0.55 -0.23 0.37 0.00 -0.71 0.00 0.00 52.86 52.84 1twc s ASN 214 Cb -0.11 -1.79 1.54 0.00 0.41 0.00 0.00 41.25 41.30 1twc s ASN 214 CO 0.46 0.07 1.63 -0.33 -1.51 0.00 0.00 177.10 177.42 1twc h GLU 215 N 7.41 0.05 0.39 -0.60 5.08 -2.05 1.17 114.58 126.02 1twc h GLU 215 Ca -0.35 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1twc h GLU 215 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1twc h GLU 215 CO 0.61 0.03 -0.22 0.78 -1.00 0.00 0.00 179.01 179.21 1twc h GLY 216 N 0.05 -0.73 0.00 -3.84 0.00 -2.06 -3.44 103.07 93.04 1twc h GLY 216 Ca 0.83 0.29 0.00 0.00 0.00 0.00 0.00 47.33 48.46 1twc h GLY 216 CO -0.25 -0.26 0.00 1.22 0.00 0.00 0.00 176.54 177.26 1twc n ASP 217 N -3.67 0.00 -4.77 0.19 8.00 0.40 -4.81 116.55 111.89 1twc n ASP 217 Ca -0.07 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.04 1twc n ASP 217 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1twc n ASP 217 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1twc s PRO 218 N 0.00 4.17 0.30 -0.24 0.04 -1.26 -4.87 135.00 133.14 1twc s PRO 218 Ca 0.00 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1twc s PRO 218 Cb 0.00 -2.82 -0.14 0.00 0.04 0.00 0.00 34.50 31.59 1twc s PRO 218 CO 0.00 -0.25 0.92 0.34 0.04 0.00 0.00 177.00 178.05 1twc n PHE 219 N 0.34 0.94 -2.79 0.56 7.35 -1.26 -4.83 117.46 117.76 1twc n PHE 219 Ca 0.03 0.71 -0.43 0.00 -0.76 0.00 0.00 57.45 57.00 1twc n PHE 219 Cb 0.45 -2.20 -0.03 0.00 0.35 0.00 0.00 39.48 38.05 1twc n PHE 219 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1twc s ASP 220 N -0.65 6.49 0.48 -2.13 2.15 -1.26 -4.91 116.67 116.83 1twc s ASP 220 Ca 0.60 -1.62 0.29 0.00 0.43 0.00 0.00 52.55 52.25 1twc s ASP 220 Cb -0.70 -2.46 1.59 0.00 -0.30 0.00 0.00 42.92 41.05 1twc s ASP 220 CO 0.59 -1.29 1.88 0.10 -0.17 0.00 0.00 175.17 176.28 1twc h TYR 221 N 9.29 0.00 0.00 -5.34 -0.00 -1.97 -2.88 116.97 116.07 1twc h TYR 221 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.80 1twc h TYR 221 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.76 1twc h TYR 221 CO 1.16 0.00 -1.45 1.63 -0.00 0.00 0.00 178.16 179.50 1twc n LYS 222 N -2.58 0.35 -2.03 0.10 5.02 -1.26 -4.97 118.16 112.80 1twc n LYS 222 Ca -0.02 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 1twc n LYS 222 Cb 0.12 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1twc n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1twc s ALA 223 N -3.27 2.86 0.35 7.82 0.00 -1.09 -5.05 121.76 123.37 1twc s ALA 223 Ca -0.00 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.12 1twc s ALA 223 Cb 0.15 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1twc s ALA 223 CO 0.88 -1.02 0.05 -0.65 0.00 0.00 0.00 175.76 175.01 1twc s GLN 224 N -2.86 1.72 -0.37 0.00 -0.21 -1.26 -5.03 119.66 111.66 1twc s GLN 224 Ca 0.69 -1.96 -0.14 0.00 0.02 0.00 0.00 55.36 53.96 1twc s GLN 224 Cb -0.34 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.64 1twc s GLN 224 CO 0.40 -0.16 0.28 0.00 -2.12 0.00 0.00 175.29 173.69 1twc s ALA 225 N -3.17 3.49 0.00 6.09 0.00 -1.26 -4.83 121.76 122.08 1twc s ALA 225 Ca 0.36 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1twc s ALA 225 Cb 0.09 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1twc s ALA 225 CO 0.16 -1.21 0.03 -0.40 0.00 0.00 0.00 175.76 174.35 1twc n ASP 226 N 5.17 0.07 -3.67 0.00 3.85 -1.26 -3.55 116.55 117.15 1twc n ASP 226 Ca -0.11 -0.37 -0.13 0.00 -0.71 0.00 0.00 54.79 53.47 1twc n ASP 226 Cb 0.48 0.48 -0.13 0.00 -1.35 0.00 0.00 41.12 40.61 1twc n ASP 226 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1twc s THR 227 N -0.48 -0.38 -0.23 2.12 2.01 -1.26 -2.19 115.64 115.22 1twc s THR 227 Ca 0.00 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1twc s THR 227 Cb 0.00 -0.45 0.06 0.00 0.01 0.00 0.00 72.50 72.12 1twc s THR 227 CO 0.00 0.11 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.61 1twc s PHE 228 N 2.30 2.47 -1.24 4.92 0.40 -0.88 -4.25 117.98 121.68 1twc s PHE 228 Ca -0.00 -1.76 -0.19 0.00 -0.60 0.00 0.00 56.93 54.38 1twc s PHE 228 Cb -0.12 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1twc s PHE 228 CO -0.09 -0.77 1.88 0.66 0.70 0.00 0.00 175.22 177.60 1twc n TYR 229 N 4.66 3.73 -2.08 0.36 4.02 -0.61 -2.50 117.16 124.73 1twc n TYR 229 Ca -0.13 -2.38 -0.28 0.00 -0.01 0.00 0.00 57.90 55.10 1twc n TYR 229 Cb 0.44 -2.55 0.15 0.00 -0.02 0.00 0.00 39.34 37.37 1twc n TYR 229 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1twc s MET 230 N 4.79 1.17 0.00 -0.72 -1.94 -1.04 -3.73 119.30 117.83 1twc s MET 230 Ca 0.57 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1twc s MET 230 Cb 0.05 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.90 1twc s MET 230 CO 0.08 -2.00 0.00 -1.71 -0.01 0.00 0.00 175.02 171.37 1twc n ASN 231 N -3.44 0.00 -4.68 3.03 2.85 -1.24 -2.79 115.26 109.00 1twc n ASN 231 Ca 0.14 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.27 1twc n ASN 231 Cb 0.60 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.53 1twc n ASN 231 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1twc s VAL 232 N 0.00 4.17 -0.04 3.44 1.01 -0.86 -1.72 120.40 126.41 1twc s VAL 232 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1twc s VAL 232 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1twc s VAL 232 CO 0.00 0.43 -0.13 -0.70 0.00 0.00 0.00 175.10 174.70 1twc s GLU 233 N -1.40 1.39 0.18 2.72 2.12 -1.18 -2.74 118.70 119.80 1twc s GLU 233 Ca 0.18 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.16 1twc s GLU 233 Cb -0.11 -1.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 1twc s GLU 233 CO 0.08 0.16 -0.15 0.45 -0.54 0.00 0.00 175.26 175.27 1twc s SER 234 N 0.17 3.94 0.15 -1.70 0.15 0.11 -1.61 113.70 114.91 1twc s SER 234 Ca -0.04 -0.68 0.21 0.00 0.70 0.00 0.00 55.95 56.14 1twc s SER 234 Cb -0.11 -0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1twc s SER 234 CO 0.01 0.11 0.92 0.55 1.20 0.00 0.00 173.24 176.04 1twc n VAL 235 N 0.16 0.65 0.00 4.45 3.14 -0.76 -4.83 118.33 121.14 1twc n VAL 235 Ca -0.12 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1twc n VAL 235 Cb 0.55 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1twc n VAL 235 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1twc n GLY 236 N 1.23 1.20 0.07 7.55 0.00 -1.26 -4.99 105.19 109.00 1twc n GLY 236 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1twc n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twc n SER 237 N 0.00 0.42 -3.76 1.61 3.41 -1.26 -4.55 113.62 109.49 1twc n SER 237 Ca 0.00 0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 59.04 1twc n SER 237 Cb 0.00 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.13 1twc n SER 237 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1twc s ILE 238 N -3.13 -0.05 0.91 -1.33 1.01 -1.26 -0.58 121.20 116.77 1twc s ILE 238 Ca 0.08 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1twc s ILE 238 Cb 0.12 -0.20 0.14 0.00 0.01 0.00 0.00 42.46 42.53 1twc s ILE 238 CO 0.44 0.07 1.09 -2.16 0.00 0.00 0.00 174.94 174.38 1twc s PRO 239 N 1.08 1.15 0.08 2.79 0.04 -1.26 -4.73 135.00 134.16 1twc s PRO 239 Ca -0.09 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1twc s PRO 239 Cb -0.11 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 1twc s PRO 239 CO -0.05 -2.35 1.64 0.28 0.04 0.00 0.00 177.00 176.57 1twc h VAL 240 N -1.63 0.43 -1.06 -0.36 2.07 -1.91 0.13 116.25 113.92 1twc h VAL 240 Ca -0.49 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.31 1twc h VAL 240 Cb 1.28 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1twc h VAL 240 CO 0.53 0.00 0.70 -2.24 0.02 0.00 0.00 177.57 176.58 1twc h ASP 241 N -0.70 0.33 1.34 0.57 2.03 -1.92 0.24 116.42 118.32 1twc h ASP 241 Ca -0.05 0.06 -0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1twc h ASP 241 Cb 0.57 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1twc h ASP 241 CO 0.05 0.06 -0.01 1.56 -1.03 0.00 0.00 179.24 179.88 1twc h GLN 242 N 0.29 0.00 -0.57 4.15 1.08 -1.11 -1.46 115.11 117.49 1twc h GLN 242 Ca 0.58 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.70 1twc h GLN 242 Cb 1.66 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.07 1twc h GLN 242 CO -0.22 0.01 0.06 0.28 -0.95 0.00 0.00 178.83 178.01 1twc h VAL 243 N 0.00 1.26 -0.13 -0.54 2.07 -0.15 -2.18 116.25 116.58 1twc h VAL 243 Ca -0.00 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1twc h VAL 243 Cb 0.68 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1twc h VAL 243 CO 0.00 0.37 -0.04 0.58 0.02 0.00 0.00 177.57 178.50 1twc h VAL 244 N 0.85 1.30 0.08 2.57 2.07 -1.31 -1.69 116.25 120.13 1twc h VAL 244 Ca 0.17 -1.03 -0.28 0.00 0.82 0.00 0.00 66.70 66.38 1twc h VAL 244 Cb 0.46 1.73 0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1twc h VAL 244 CO 0.02 0.30 -1.15 0.58 0.02 0.00 0.00 177.57 177.33 1twc h VAL 245 N -0.08 1.29 0.00 2.57 2.07 -1.22 0.73 116.25 121.62 1twc h VAL 245 Ca 0.03 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1twc h VAL 245 Cb 0.48 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1twc h VAL 245 CO 0.02 0.73 -0.16 0.03 0.02 0.00 0.00 177.57 178.20 1twc h ARG 246 N 0.28 0.00 0.65 1.57 3.08 -1.49 0.14 114.38 118.61 1twc h ARG 246 Ca -0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1twc h ARG 246 Cb 1.83 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.88 1twc h ARG 246 CO 0.22 0.16 -0.31 0.78 -1.07 0.00 0.00 179.97 179.75 1twc h GLY 247 N 2.04 -0.91 0.68 0.04 0.00 0.38 0.21 103.07 105.50 1twc h GLY 247 Ca -0.00 0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1twc h GLY 247 CO 0.02 -0.33 0.47 -2.22 0.00 0.00 0.00 176.54 174.48 1twc h ILE 248 N -0.91 1.00 -0.17 2.60 1.08 0.45 -1.80 117.51 119.76 1twc h ILE 248 Ca -0.09 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1twc h ILE 248 Cb 0.68 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1twc h ILE 248 CO 0.15 0.15 -0.32 -0.78 -0.69 0.00 0.00 178.15 176.66 1twc h ASP 249 N 0.85 0.35 -0.41 1.72 1.82 -0.59 -2.12 116.42 118.03 1twc h ASP 249 Ca 0.35 -0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.72 1twc h ASP 249 Cb 0.21 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1twc h ASP 249 CO -0.19 0.65 -0.34 0.74 -1.61 0.00 0.00 179.24 178.49 1twc h THR 250 N 0.30 1.27 0.10 2.25 2.02 0.29 -2.09 112.91 117.05 1twc h THR 250 Ca 0.04 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 65.73 1twc h THR 250 Cb 0.71 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 1twc h THR 250 CO 0.05 0.51 -0.34 0.25 0.37 0.00 0.00 175.52 176.37 1twc h LEU 251 N 0.80 -0.99 -1.15 2.58 5.85 -1.38 -1.68 115.31 119.34 1twc h LEU 251 Ca 0.07 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1twc h LEU 251 Cb 0.94 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1twc h LEU 251 CO 0.09 -0.42 0.58 -0.61 -0.34 0.00 0.00 178.44 177.74 1twc h GLN 252 N -0.55 1.07 -0.00 1.25 4.15 -1.20 0.38 115.11 120.20 1twc h GLN 252 Ca 0.04 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1twc h GLN 252 Cb 0.59 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1twc h GLN 252 CO -0.22 0.71 -0.35 0.87 -1.93 0.00 0.00 178.83 177.91 1twc h LYS 253 N 1.10 0.01 -0.04 1.69 1.57 -0.89 -2.91 116.57 117.10 1twc h LYS 253 Ca 0.36 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1twc h LYS 253 Cb 0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1twc h LYS 253 CO -0.11 0.35 -0.01 0.87 -0.57 0.00 0.00 179.45 179.98 1twc h LYS 254 N 0.01 0.08 0.00 3.15 1.57 0.53 -0.56 116.57 121.35 1twc h LYS 254 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1twc h LYS 254 Cb 0.62 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1twc h LYS 254 CO 0.05 0.44 -0.04 0.28 -0.57 0.00 0.00 179.45 179.61 1twc h VAL 255 N -0.28 0.50 0.00 0.50 2.07 -0.73 -1.99 116.25 116.32 1twc h VAL 255 Ca 0.01 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 1twc h VAL 255 Cb 0.41 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1twc h VAL 255 CO 0.00 0.04 -1.50 0.00 0.02 0.00 0.00 177.57 176.14 1twc h ALA 256 N 1.96 0.70 0.00 1.67 0.00 -1.30 -2.69 119.26 119.59 1twc h ALA 256 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1twc h ALA 256 Cb 0.11 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1twc h ALA 256 CO 0.01 1.25 0.00 -1.13 0.00 0.00 0.00 179.25 179.38 1twc n SER 257 N -3.00 0.26 -0.07 0.00 3.41 -0.24 -0.77 113.62 113.21 1twc n SER 257 Ca -0.12 0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1twc n SER 257 Cb 0.94 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 1twc n SER 257 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1twc h ILE 258 N 0.00 1.06 -1.04 -1.33 2.04 -1.44 -3.01 117.51 113.79 1twc h ILE 258 Ca 0.00 -1.86 0.31 0.00 1.00 0.00 0.00 64.86 64.31 1twc h ILE 258 Cb 0.32 2.07 -0.13 0.00 -0.74 0.00 0.00 36.82 38.34 1twc h ILE 258 CO 0.00 0.36 0.62 -0.07 0.00 0.00 0.00 178.15 179.06 1twc h LEU 259 N -1.00 0.51 -0.72 1.44 3.38 -1.37 -0.81 115.31 116.74 1twc h LEU 259 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1twc h LEU 259 Cb 0.72 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1twc h LEU 259 CO -0.03 -0.05 0.00 0.25 0.09 0.00 0.00 178.44 178.70 1twc h LEU 260 N 0.37 0.00 0.00 1.67 5.85 -0.95 -2.56 115.31 119.69 1twc h LEU 260 Ca 0.70 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.42 1twc h LEU 260 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1twc h LEU 260 CO -0.51 0.00 -1.09 0.00 -0.34 0.00 0.00 178.44 176.51 1twc n ALA 261 N -1.86 2.60 0.21 1.25 0.00 -0.42 -2.51 120.51 119.77 1twc n ALA 261 Ca 0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1twc n ALA 261 Cb 0.29 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 1twc n ALA 261 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1twc h LEU 262 N 0.00 -1.19 -0.61 0.00 3.38 -1.08 -3.12 115.31 112.69 1twc h LEU 262 Ca 0.00 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1twc h LEU 262 Cb 0.35 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 1twc h LEU 262 CO 0.00 -0.53 0.00 0.41 0.09 0.00 0.00 178.44 178.41 1twc n THR 263 N -4.96 -0.26 1.73 0.22 -1.04 -0.98 -0.60 114.28 108.40 1twc n THR 263 Ca -0.09 1.35 0.05 0.00 -2.04 0.00 0.00 64.05 63.32 1twc n THR 263 Cb 0.37 -1.96 0.23 0.00 -1.82 0.00 0.00 70.33 67.15 1twc n THR 263 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1twc n GLN 264 N -4.80 1.21 0.01 -2.82 -0.06 -1.05 -2.73 117.38 107.15 1twc n GLN 264 Ca 0.14 -0.33 0.03 0.00 -2.00 0.00 0.00 57.00 54.84 1twc n GLN 264 Cb 0.46 -1.18 -0.10 0.00 -4.06 0.00 0.00 30.24 25.36 1twc n GLN 264 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1twc n MET 265 N -0.33 0.64 0.00 3.69 2.81 0.23 -4.88 117.12 119.28 1twc n MET 265 Ca 0.08 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1twc n MET 265 Cb 0.10 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 1twc n MET 265 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1twc n ASP 266 N -2.69 0.00 0.00 7.83 8.00 -1.11 -5.03 116.55 123.56 1twc n ASP 266 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1twc n ASP 266 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1twc n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twc n GLN 267 N 0.00 0.00 0.00 -1.24 6.02 -1.26 -5.06 117.38 115.84 1twc n GLN 267 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1twc n GLN 267 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1twc n GLN 267 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80