#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwt s ASN 2 N 0.00 6.45 0.03 3.17 2.47 -1.26 -4.94 114.94 120.86 2vwt s ASN 2 Ca 0.00 2.92 0.26 0.00 0.42 0.00 0.00 52.86 56.46 2vwt s ASN 2 Cb 0.00 -2.65 0.62 0.00 -1.45 0.00 0.00 41.25 37.77 2vwt s ASN 2 CO 0.00 -0.82 1.50 0.00 -3.72 0.00 0.00 177.10 174.06 2vwt n ALA 3 N 1.25 3.14 -2.67 1.71 0.00 -1.26 -4.65 120.51 118.03 2vwt n ALA 3 Ca 0.04 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 2vwt n ALA 3 Cb 0.39 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 2vwt n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vwt s LEU 4 N -3.32 4.33 0.35 0.00 1.43 -1.26 -3.62 118.68 116.59 2vwt s LEU 4 Ca 0.10 0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 53.68 2vwt s LEU 4 Cb 0.17 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 2vwt s LEU 4 CO 0.67 0.14 1.06 -0.76 0.23 0.00 0.00 176.35 177.69 2vwt s LEU 5 N 0.03 4.31 0.02 1.79 1.43 -1.26 -5.06 118.68 119.94 2vwt s LEU 5 Ca 0.22 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 2vwt s LEU 5 Cb -0.15 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2vwt s LEU 5 CO 0.09 -0.34 -0.05 -0.94 0.23 0.00 0.00 176.35 175.33 2vwt s SER 6 N -1.30 0.58 -0.46 2.29 1.04 -1.26 -4.96 113.70 109.62 2vwt s SER 6 Ca 0.52 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.58 2vwt s SER 6 Cb -0.26 0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.02 2vwt s SER 6 CO 0.33 -0.16 0.22 0.21 0.98 0.00 0.00 173.24 174.82 2vwt s ASN 7 N -1.13 4.13 0.30 7.02 3.84 -1.26 -4.99 114.94 122.85 2vwt s ASN 7 Ca -0.08 -2.73 0.02 0.00 0.21 0.00 0.00 52.86 50.28 2vwt s ASN 7 Cb -0.08 -1.41 0.59 0.00 -0.55 0.00 0.00 41.25 39.81 2vwt s ASN 7 CO -0.00 -0.27 1.86 -0.65 -2.79 0.00 0.00 177.10 175.25 2vwt h PRO 8 N 6.76 0.93 -0.30 0.43 0.11 -1.99 -0.83 132.00 137.12 2vwt h PRO 8 Ca -0.06 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.04 2vwt h PRO 8 Cb 0.92 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 2vwt h PRO 8 CO 0.59 0.62 0.03 0.35 -0.21 0.00 0.00 178.00 179.38 2vwt h PHE 9 N 0.96 0.05 -0.65 0.65 3.04 -1.94 -0.86 116.94 118.19 2vwt h PHE 9 Ca 0.46 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.43 2vwt h PHE 9 Cb 0.45 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 2vwt h PHE 9 CO -0.00 -0.01 0.41 -0.22 -2.02 0.00 0.00 178.31 176.47 2vwt h LYS 10 N 0.13 0.86 -0.41 1.11 3.64 -1.74 -0.86 116.57 119.31 2vwt h LYS 10 Ca 0.14 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2vwt h LYS 10 Cb 0.17 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2vwt h LYS 10 CO -0.21 0.59 0.17 0.93 -2.27 0.00 0.00 179.45 178.67 2vwt h GLU 11 N 0.88 0.35 -0.51 1.90 5.08 -0.87 0.44 114.58 121.85 2vwt h GLU 11 Ca 0.24 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2vwt h GLU 11 Cb -0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2vwt h GLU 11 CO -0.05 0.23 -0.11 0.00 -1.00 0.00 0.00 179.01 178.08 2vwt h ARG 12 N 0.36 0.97 -0.13 2.33 3.08 -0.93 -2.41 114.38 117.65 2vwt h ARG 12 Ca 0.18 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.88 2vwt h ARG 12 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2vwt h ARG 12 CO -0.16 1.04 0.02 1.25 -1.07 0.00 0.00 179.97 181.05 2vwt h LEU 13 N 0.83 -0.01 -1.70 3.04 6.46 -0.76 -1.75 115.31 121.43 2vwt h LEU 13 Ca 0.13 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 2vwt h LEU 13 Cb 0.68 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 2vwt h LEU 13 CO 0.05 0.02 0.37 0.03 -0.62 0.00 0.00 178.44 178.29 2vwt h ARG 14 N 0.07 0.33 -0.16 1.25 3.08 -0.78 0.92 114.38 119.09 2vwt h ARG 14 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2vwt h ARG 14 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2vwt h ARG 14 CO -0.09 0.22 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 2vwt n LYS 15 N -4.46 1.39 -0.12 0.04 5.02 -0.80 -4.89 118.16 114.33 2vwt n LYS 15 Ca 0.09 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 2vwt n LYS 15 Cb 0.38 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2vwt n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vwt n GLY 16 N 0.81 2.15 3.63 0.72 0.00 0.32 -4.98 105.19 107.84 2vwt n GLY 16 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2vwt n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vwt n GLU 17 N -2.00 1.39 -2.73 1.61 4.07 -0.72 -4.96 120.64 117.30 2vwt n GLU 17 Ca 0.00 0.50 -0.42 0.00 -0.06 0.00 0.00 57.16 57.18 2vwt n GLU 17 Cb 0.00 -2.12 -0.03 0.00 -0.06 0.00 0.00 31.44 29.23 2vwt n GLU 17 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2vwt s VAL 18 N -1.30 4.87 -0.13 6.31 1.01 -1.26 -4.60 120.40 125.30 2vwt s VAL 18 Ca 0.64 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.64 2vwt s VAL 18 Cb -0.53 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.57 2vwt s VAL 18 CO 0.56 0.13 -0.14 -1.10 0.00 0.00 0.00 175.10 174.55 2vwt s GLN 19 N 1.21 2.21 -0.21 2.72 -0.21 -0.71 -5.03 119.66 119.64 2vwt s GLN 19 Ca 0.50 -0.54 -0.13 0.00 0.02 0.00 0.00 55.36 55.21 2vwt s GLN 19 Cb -0.20 -1.99 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 2vwt s GLN 19 CO 0.25 -0.18 0.27 0.42 -2.12 0.00 0.00 175.29 173.94 2vwt s ILE 20 N 1.33 5.29 0.39 1.08 -1.09 -1.26 -1.62 121.20 125.32 2vwt s ILE 20 Ca 0.01 0.45 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 2vwt s ILE 20 Cb -0.13 -3.61 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2vwt s ILE 20 CO -0.07 0.33 0.03 -0.83 -1.23 0.00 0.00 174.94 173.16 2vwt s GLY 21 N 0.88 2.41 -0.01 6.18 0.00 0.05 -0.34 107.32 116.49 2vwt s GLY 21 Ca 0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 44.72 42.78 2vwt s GLY 21 CO 0.05 -2.01 0.02 -2.27 0.00 0.00 0.00 173.10 168.89 2vwt s LEU 22 N -3.65 1.72 0.20 0.66 2.96 -0.83 -1.28 118.68 118.46 2vwt s LEU 22 Ca 0.33 0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 2vwt s LEU 22 Cb 0.09 0.02 -0.08 0.00 0.50 0.00 0.00 46.19 46.72 2vwt s LEU 22 CO 0.16 -0.04 1.01 0.86 -1.32 0.00 0.00 176.35 177.03 2vwt s TRP 23 N 0.28 3.78 -0.26 5.38 -0.00 -0.36 -0.69 118.94 127.08 2vwt s TRP 23 Ca -0.02 1.78 -0.04 0.00 -0.00 0.00 0.00 56.10 57.81 2vwt s TRP 23 Cb -0.03 -3.12 0.01 0.00 -0.00 0.00 0.00 33.47 30.33 2vwt s TRP 23 CO -0.01 -0.03 -0.00 -0.51 -0.00 0.00 0.00 176.95 176.40 2vwt s LEU 24 N -0.76 3.38 0.00 5.86 1.43 0.14 -1.13 118.68 127.60 2vwt s LEU 24 Ca 0.45 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2vwt s LEU 24 Cb -0.27 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2vwt s LEU 24 CO 0.34 -0.13 0.85 -1.20 0.23 0.00 0.00 176.35 176.44 2vwt n SER 25 N 4.78 1.53 0.04 2.29 7.64 -1.26 -2.25 113.62 126.38 2vwt n SER 25 Ca -0.16 -1.72 0.12 0.00 1.01 0.00 0.00 58.87 58.11 2vwt n SER 25 Cb 0.48 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.81 2vwt n SER 25 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2vwt n SER 26 N -0.36 0.64 0.00 6.43 3.41 -1.26 -4.80 113.62 117.67 2vwt n SER 26 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2vwt n SER 26 Cb 0.27 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2vwt n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2vwt n THR 27 N -1.94 0.00 -3.75 6.66 -2.24 -1.26 -4.99 114.28 106.76 2vwt n THR 27 Ca 0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.45 2vwt n THR 27 Cb 0.42 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 2vwt n THR 27 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vwt s THR 28 N -2.47 5.41 0.32 4.28 -4.23 -1.26 -4.86 115.64 112.83 2vwt s THR 28 Ca 0.00 0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.89 2vwt s THR 28 Cb 0.00 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.42 2vwt s THR 28 CO 0.00 0.51 1.75 0.00 -0.54 0.00 0.00 174.62 176.34 2vwt h ALA 29 N 5.85 1.21 0.11 3.99 0.00 -1.88 -1.99 119.26 126.55 2vwt h ALA 29 Ca -0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2vwt h ALA 29 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2vwt h ALA 29 CO 0.68 0.55 -0.05 -0.92 0.00 0.00 0.00 179.25 179.50 2vwt h TYR 30 N 0.13 -0.13 -0.06 0.00 5.03 -1.94 -1.76 116.97 118.24 2vwt h TYR 30 Ca 0.01 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.17 2vwt h TYR 30 Cb 0.75 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 2vwt h TYR 30 CO 0.01 -0.08 -0.62 0.52 -1.32 0.00 0.00 178.16 176.67 2vwt h MET 31 N -0.14 0.21 -0.44 1.82 2.86 -1.98 -2.72 114.93 114.53 2vwt h MET 31 Ca -0.01 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2vwt h MET 31 Cb 0.11 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2vwt h MET 31 CO 0.02 0.76 0.28 0.00 1.06 0.00 0.00 176.91 179.03 2vwt h ALA 32 N 1.21 0.56 -0.46 6.32 0.00 -1.08 0.14 119.26 125.95 2vwt h ALA 32 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vwt h ALA 32 Cb 1.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2vwt h ALA 32 CO 0.09 -0.02 0.25 1.49 0.00 0.00 0.00 179.25 181.07 2vwt h GLU 33 N 0.57 0.65 -0.35 0.00 4.81 -1.25 -0.09 114.58 118.91 2vwt h GLU 33 Ca 0.17 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2vwt h GLU 33 Cb -0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2vwt h GLU 33 CO -0.06 0.51 0.15 0.82 -0.73 0.00 0.00 179.01 179.70 2vwt h ILE 34 N 0.61 0.94 -1.00 2.32 2.04 -1.14 -2.45 117.51 118.82 2vwt h ILE 34 Ca 0.16 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2vwt h ILE 34 Cb 0.06 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2vwt h ILE 34 CO -0.03 0.06 0.66 0.00 0.00 0.00 0.00 178.15 178.84 2vwt h ALA 35 N 1.20 1.35 0.00 1.87 0.00 -0.44 -2.29 119.26 120.95 2vwt h ALA 35 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2vwt h ALA 35 Cb 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2vwt h ALA 35 CO -0.13 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 2vwt h ALA 36 N 1.42 1.85 0.00 0.00 0.00 -0.56 -1.34 119.26 120.62 2vwt h ALA 36 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2vwt h ALA 36 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vwt h ALA 36 CO -0.13 0.02 0.00 1.79 0.00 0.00 0.00 179.25 180.94 2vwt h THR 37 N 0.00 0.00 0.00 0.00 1.35 -1.05 -3.02 112.91 110.19 2vwt h THR 37 Ca -0.00 -0.32 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 2vwt h THR 37 Cb 0.04 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2vwt h THR 37 CO 0.00 0.00 -0.29 0.28 -0.25 0.00 0.00 175.52 175.26 2vwt h SER 38 N 0.00 0.00 0.00 5.36 0.02 -1.33 -3.48 113.55 114.12 2vwt h SER 38 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2vwt h SER 38 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2vwt h SER 38 CO 0.00 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 2vwt n GLY 39 N -0.66 0.64 3.66 -3.77 0.00 -1.14 -5.06 105.19 98.86 2vwt n GLY 39 Ca -0.02 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 2vwt n GLY 39 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vwt n TYR 40 N -2.84 1.22 -0.03 1.61 4.02 -1.26 -4.91 117.16 114.97 2vwt n TYR 40 Ca 0.00 0.42 -0.09 0.00 -0.01 0.00 0.00 57.90 58.22 2vwt n TYR 40 Cb 0.10 -2.17 0.07 0.00 -0.02 0.00 0.00 39.34 37.32 2vwt n TYR 40 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2vwt h ASP 41 N 0.31 0.70 -5.20 7.72 3.32 -1.06 -3.35 116.42 118.87 2vwt h ASP 41 Ca -0.49 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.13 2vwt h ASP 41 Cb 1.35 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 2vwt h ASP 41 CO 0.51 1.02 -0.59 -1.66 -1.72 0.00 0.00 179.24 176.80 2vwt s TRP 42 N -4.27 0.39 -0.09 4.55 1.48 -1.08 -1.52 118.94 118.41 2vwt s TRP 42 Ca -0.08 -0.88 -0.00 0.00 -1.06 0.00 0.00 56.10 54.07 2vwt s TRP 42 Cb 0.12 -0.28 0.02 0.00 -1.16 0.00 0.00 33.47 32.17 2vwt s TRP 42 CO 0.84 -0.41 -0.05 -0.51 -4.06 0.00 0.00 176.95 172.76 2vwt s LEU 43 N -2.77 1.02 -0.46 -4.66 1.43 -0.14 -1.97 118.68 111.13 2vwt s LEU 43 Ca 0.04 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 2vwt s LEU 43 Cb 0.06 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.65 2vwt s LEU 43 CO -0.09 -0.13 0.72 -0.22 0.23 0.00 0.00 176.35 176.86 2vwt s LEU 44 N 1.65 4.43 -0.51 1.79 1.98 0.14 -0.98 118.68 127.17 2vwt s LEU 44 Ca 0.02 -0.33 -0.25 0.00 -2.89 0.00 0.00 54.13 50.68 2vwt s LEU 44 Cb -0.13 -2.79 0.03 0.00 0.66 0.00 0.00 46.19 43.97 2vwt s LEU 44 CO -0.06 -0.88 0.97 -0.63 -1.89 0.00 0.00 176.35 173.86 2vwt s ILE 45 N 3.08 4.38 -0.88 6.68 1.01 0.52 0.25 121.20 136.24 2vwt s ILE 45 Ca 0.25 0.62 -0.20 0.00 0.00 0.00 0.00 60.65 61.32 2vwt s ILE 45 Cb -0.14 -4.51 0.10 0.00 0.01 0.00 0.00 42.46 37.92 2vwt s ILE 45 CO 0.20 -1.00 1.14 -0.62 0.00 0.00 0.00 174.94 174.66 2vwt s ASP 46 N 2.55 6.50 0.00 3.58 2.15 -0.95 -1.88 116.67 128.61 2vwt s ASP 46 Ca 0.36 -1.68 0.29 0.00 0.43 0.00 0.00 52.55 51.95 2vwt s ASP 46 Cb -0.10 -2.43 1.58 0.00 -0.30 0.00 0.00 42.92 41.66 2vwt s ASP 46 CO 0.24 -1.24 2.04 0.61 -0.17 0.00 0.00 175.17 176.65 2vwt n GLY 47 N 5.68 -0.70 0.11 2.66 0.00 0.13 -3.17 105.19 109.90 2vwt n GLY 47 Ca 0.19 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2vwt n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vwt n GLU 48 N -0.64 0.56 -0.04 1.61 2.13 -1.13 -3.34 120.64 119.80 2vwt n GLU 48 Ca 0.22 0.46 0.05 0.00 0.66 0.00 0.00 57.16 58.54 2vwt n GLU 48 Cb 0.17 -1.65 0.07 0.00 0.27 0.00 0.00 31.44 30.30 2vwt n GLU 48 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2vwt n HIS 49 N -4.39 0.10 -4.46 4.31 8.25 -1.26 -4.89 115.22 112.88 2vwt n HIS 49 Ca -0.36 -0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 56.69 2vwt n HIS 49 Cb 0.70 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.68 2vwt n HIS 49 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vwt s ALA 50 N -0.90 2.47 -1.54 -1.41 0.00 -1.19 -5.06 121.76 114.13 2vwt s ALA 50 Ca 0.14 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2vwt s ALA 50 Cb 0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2vwt s ALA 50 CO 0.13 0.56 2.69 -0.35 0.00 0.00 0.00 175.76 178.79 2vwt n PRO 51 N 1.06 3.35 -2.85 0.00 -0.04 -1.26 -4.61 135.00 130.65 2vwt n PRO 51 Ca -0.17 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.58 2vwt n PRO 51 Cb 0.53 -2.95 -0.04 0.00 -0.04 0.00 0.00 33.50 31.00 2vwt n PRO 51 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2vwt s ASN 52 N 2.58 7.13 0.80 3.54 0.01 -1.26 -5.00 114.94 122.74 2vwt s ASN 52 Ca 0.61 1.37 -0.10 0.00 -0.71 0.00 0.00 52.86 54.04 2vwt s ASN 52 Cb 0.16 -2.49 0.11 0.00 0.41 0.00 0.00 41.25 39.45 2vwt s ASN 52 CO -0.07 -0.28 1.14 0.42 -1.51 0.00 0.00 177.10 176.80 2vwt s THR 53 N 1.41 2.12 0.47 1.60 -4.23 -1.26 -4.93 115.64 110.82 2vwt s THR 53 Ca 0.44 -0.18 0.12 0.00 -1.18 0.00 0.00 61.69 60.88 2vwt s THR 53 Cb -0.18 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 70.99 2vwt s THR 53 CO 0.19 0.00 2.11 -0.29 -0.54 0.00 0.00 174.62 176.09 2vwt h ILE 54 N -0.99 1.05 -0.36 2.99 6.09 -2.00 -2.07 117.51 122.23 2vwt h ILE 54 Ca -0.44 -0.09 -0.15 0.00 -1.37 0.00 0.00 64.86 62.82 2vwt h ILE 54 Cb 1.29 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 2vwt h ILE 54 CO 0.52 0.05 -0.34 1.56 -3.07 0.00 0.00 178.15 176.86 2vwt h GLN 55 N 0.26 0.86 -0.54 2.19 1.08 -1.99 -0.68 115.11 116.30 2vwt h GLN 55 Ca 0.07 -0.45 0.05 0.00 -1.45 0.00 0.00 58.65 56.88 2vwt h GLN 55 Cb -0.02 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 2vwt h GLN 55 CO -0.02 1.10 0.26 -0.44 -0.95 0.00 0.00 178.83 178.78 2vwt h ASP 56 N 0.66 0.36 -0.43 1.46 3.32 -1.75 0.13 116.42 120.18 2vwt h ASP 56 Ca 0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2vwt h ASP 56 Cb 0.93 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2vwt h ASP 56 CO 0.09 0.25 0.25 -0.07 -1.72 0.00 0.00 179.24 178.03 2vwt h LEU 57 N 0.51 0.53 -0.34 1.55 3.38 -1.19 -0.91 115.31 118.84 2vwt h LEU 57 Ca 0.25 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2vwt h LEU 57 Cb 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2vwt h LEU 57 CO -0.18 0.45 0.12 0.22 0.09 0.00 0.00 178.44 179.14 2vwt h TYR 58 N 0.57 0.21 -0.33 1.13 3.20 -0.35 -0.95 116.97 120.45 2vwt h TYR 58 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2vwt h TYR 58 Cb 0.03 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2vwt h TYR 58 CO -0.03 0.09 -0.14 0.45 -1.64 0.00 0.00 178.16 176.89 2vwt h HIS 59 N 0.26 0.63 -0.28 -3.82 3.86 -0.38 -1.13 115.15 114.29 2vwt h HIS 59 Ca 0.16 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 2vwt h HIS 59 Cb 0.13 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2vwt h HIS 59 CO -0.14 0.69 -0.42 1.96 0.86 0.00 0.00 177.93 180.88 2vwt h GLN 60 N 0.53 0.68 -0.53 2.45 4.20 -0.71 -0.61 115.11 121.12 2vwt h GLN 60 Ca 0.09 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 2vwt h GLN 60 Cb 0.55 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2vwt h GLN 60 CO 0.03 0.97 0.32 -0.07 -0.67 0.00 0.00 178.83 179.42 2vwt h LEU 61 N 0.56 0.64 -1.17 1.46 3.38 -0.76 -2.09 115.31 117.34 2vwt h LEU 61 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2vwt h LEU 61 Cb 0.96 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2vwt h LEU 61 CO 0.09 0.51 0.21 1.56 0.09 0.00 0.00 178.44 180.90 2vwt h GLN 62 N 0.72 0.80 -0.02 1.13 4.20 -1.02 -1.62 115.11 119.28 2vwt h GLN 62 Ca 0.19 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2vwt h GLN 62 Cb -0.01 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2vwt h GLN 62 CO -0.04 0.66 0.01 0.00 -0.67 0.00 0.00 178.83 178.79 2vwt h ALA 63 N 1.45 0.03 0.00 3.87 0.00 -0.75 -3.20 119.26 120.66 2vwt h ALA 63 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vwt h ALA 63 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2vwt h ALA 63 CO -0.02 -0.37 -0.04 -0.39 0.00 0.00 0.00 179.25 178.44 2vwt h VAL 64 N -0.16 0.00 -0.82 0.00 -1.51 -1.32 -3.40 116.25 109.05 2vwt h VAL 64 Ca 0.01 -0.69 0.19 0.00 -1.23 0.00 0.00 66.70 64.98 2vwt h VAL 64 Cb 0.20 1.67 -0.15 0.00 -2.13 0.00 0.00 31.29 30.88 2vwt h VAL 64 CO -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.33 2vwt h ALA 65 N 2.31 0.85 -0.01 5.19 0.00 -1.29 -0.60 119.26 125.72 2vwt h ALA 65 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2vwt h ALA 65 Cb 0.84 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2vwt h ALA 65 CO 0.00 -0.45 0.00 -0.35 0.00 0.00 0.00 179.25 178.45 2vwt n PRO 66 N -5.39 1.19 -3.15 0.00 -0.04 -1.26 -4.85 135.00 121.50 2vwt n PRO 66 Ca 0.16 -0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 2vwt n PRO 66 Cb 0.53 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2vwt n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vwt s TYR 67 N -1.99 3.22 0.25 0.54 2.02 -0.23 -5.03 117.35 116.12 2vwt s TYR 67 Ca 0.43 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 2vwt s TYR 67 Cb 0.21 -2.20 0.30 0.00 -0.40 0.00 0.00 41.96 39.87 2vwt s TYR 67 CO 0.34 -0.23 1.63 0.00 -1.57 0.00 0.00 175.55 175.72 2vwt h ALA 68 N 0.55 0.94 -2.37 3.71 0.00 -1.85 -3.45 119.26 116.79 2vwt h ALA 68 Ca -0.46 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 53.45 2vwt h ALA 68 Cb 1.25 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 19.00 2vwt h ALA 68 CO 0.57 0.63 0.87 0.43 0.00 0.00 0.00 179.25 181.74 2vwt n SER 69 N -4.02 3.36 -4.72 0.00 7.64 -1.26 -4.96 113.62 109.66 2vwt n SER 69 Ca -0.02 1.07 -0.38 0.00 1.01 0.00 0.00 58.87 60.56 2vwt n SER 69 Cb 0.51 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 2vwt n SER 69 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2vwt s GLN 70 N 1.09 4.34 0.40 1.43 -1.52 -0.57 -4.88 119.66 119.95 2vwt s GLN 70 Ca 0.78 0.46 -0.21 0.00 -1.95 0.00 0.00 55.36 54.44 2vwt s GLN 70 Cb -0.63 -3.44 -0.11 0.00 -0.22 0.00 0.00 33.01 28.62 2vwt s GLN 70 CO 0.37 0.15 0.93 -1.25 -0.25 0.00 0.00 175.29 175.23 2vwt s PRO 71 N 0.65 4.28 -0.03 2.91 0.04 -1.26 -0.97 135.00 140.61 2vwt s PRO 71 Ca 0.26 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.44 2vwt s PRO 71 Cb -0.15 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.08 2vwt s PRO 71 CO 0.10 0.05 -0.06 0.08 0.04 0.00 0.00 177.00 177.21 2vwt s VAL 72 N -2.05 0.58 -0.16 -0.36 1.01 -0.16 -4.52 120.40 114.74 2vwt s VAL 72 Ca 0.59 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 2vwt s VAL 72 Cb -0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2vwt s VAL 72 CO 0.15 0.22 -0.02 -0.63 0.00 0.00 0.00 175.10 174.82 2vwt s ILE 73 N 0.61 4.09 -0.31 2.22 -1.09 -0.57 -0.36 121.20 125.79 2vwt s ILE 73 Ca -0.08 -0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 57.97 2vwt s ILE 73 Cb -0.12 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2vwt s ILE 73 CO 0.00 0.49 0.12 -0.60 -1.23 0.00 0.00 174.94 173.72 2vwt s ARG 74 N 0.37 3.07 0.88 2.79 3.52 -0.79 -1.41 118.95 127.39 2vwt s ARG 74 Ca -0.03 -0.88 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 2vwt s ARG 74 Cb -0.14 -3.47 0.13 0.00 -1.56 0.00 0.00 34.95 29.91 2vwt s ARG 74 CO 0.02 -0.49 1.22 -1.25 -0.81 0.00 0.00 175.30 173.99 2vwt s PRO 75 N 1.52 1.33 0.25 5.12 0.04 -1.26 0.23 135.00 142.24 2vwt s PRO 75 Ca 0.03 -0.03 -0.05 0.00 0.04 0.00 0.00 61.00 60.98 2vwt s PRO 75 Cb -0.18 -1.89 0.29 0.00 0.04 0.00 0.00 34.50 32.76 2vwt s PRO 75 CO 0.04 -2.01 1.92 0.28 0.04 0.00 0.00 177.00 177.27 2vwt h VAL 76 N -1.35 1.22 -3.12 -0.36 2.07 -1.89 -3.35 116.25 109.46 2vwt h VAL 76 Ca -0.46 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2vwt h VAL 76 Cb 1.30 -0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 2vwt h VAL 76 CO 0.56 0.24 0.14 -1.83 0.02 0.00 0.00 177.57 176.70 2vwt s GLU 77 N -6.10 1.41 -0.65 1.57 -1.05 -1.26 -4.83 118.70 107.79 2vwt s GLU 77 Ca -0.13 -0.72 -0.06 0.00 -0.15 0.00 0.00 54.97 53.91 2vwt s GLU 77 Cb 0.18 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 34.39 2vwt s GLU 77 CO 0.82 -0.62 2.98 0.41 0.95 0.00 0.00 175.26 179.80 2vwt n GLY 78 N -0.38 4.10 3.87 -3.83 0.00 -1.26 -4.60 105.19 103.10 2vwt n GLY 78 Ca -0.12 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2vwt n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vwt s SER 79 N 1.09 6.43 0.14 1.61 1.04 -1.26 -4.81 113.70 117.94 2vwt s SER 79 Ca 0.62 1.32 -0.30 0.00 0.48 0.00 0.00 55.95 58.07 2vwt s SER 79 Cb 0.30 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 2vwt s SER 79 CO -0.11 -0.62 1.57 0.11 0.98 0.00 0.00 173.24 175.17 2vwt h LYS 80 N 0.53 -0.40 -0.40 4.02 1.57 -1.93 -1.03 116.57 118.93 2vwt h LYS 80 Ca -0.46 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2vwt h LYS 80 Cb 1.19 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 2vwt h LYS 80 CO 0.62 -0.27 0.05 -1.00 -0.57 0.00 0.00 179.45 178.28 2vwt h PRO 81 N -0.41 0.61 -0.12 3.15 0.13 -1.97 -0.68 132.00 132.71 2vwt h PRO 81 Ca 0.10 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.91 2vwt h PRO 81 Cb 0.61 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2vwt h PRO 81 CO -0.53 0.60 -0.71 -0.07 -0.23 0.00 0.00 178.00 177.07 2vwt h LEU 82 N 0.59 0.62 -0.30 1.56 3.38 -1.80 -1.70 115.31 117.66 2vwt h LEU 82 Ca 0.13 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2vwt h LEU 82 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2vwt h LEU 82 CO 0.01 1.14 0.16 0.40 0.09 0.00 0.00 178.44 180.24 2vwt h ILE 83 N 0.37 1.13 -0.37 1.22 2.04 -1.11 -2.72 117.51 118.07 2vwt h ILE 83 Ca -0.03 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.57 2vwt h ILE 83 Cb 1.29 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 2vwt h ILE 83 CO 0.13 0.13 -0.21 0.50 0.00 0.00 0.00 178.15 178.70 2vwt h LYS 84 N 0.37 -0.14 -0.25 2.37 3.64 -0.85 -0.72 116.57 120.99 2vwt h LYS 84 Ca 0.11 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2vwt h LYS 84 Cb 0.06 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2vwt h LYS 84 CO -0.02 -0.10 -0.04 1.96 -2.27 0.00 0.00 179.45 178.99 2vwt h GLN 85 N -0.15 0.02 -0.03 1.90 4.20 -1.23 -1.37 115.11 118.45 2vwt h GLN 85 Ca 0.18 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 2vwt h GLN 85 Cb 0.43 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2vwt h GLN 85 CO -0.46 0.01 -0.69 -0.39 -0.67 0.00 0.00 178.83 176.63 2vwt h VAL 86 N 0.02 1.45 -0.34 -0.54 -1.51 -1.17 -2.78 116.25 111.38 2vwt h VAL 86 Ca 0.12 -2.25 -0.14 0.00 -1.23 0.00 0.00 66.70 63.19 2vwt h VAL 86 Cb 0.17 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2vwt h VAL 86 CO -0.24 0.65 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.36 2vwt h LEU 87 N 0.09 0.88 -1.51 4.19 3.38 -0.94 -2.39 115.31 119.02 2vwt h LEU 87 Ca -0.01 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2vwt h LEU 87 Cb 1.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2vwt h LEU 87 CO 0.10 1.17 -0.04 0.44 0.09 0.00 0.00 178.44 180.19 2vwt h ASP 88 N 0.62 0.24 0.23 -0.43 3.32 -1.16 -1.11 116.42 118.12 2vwt h ASP 88 Ca 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2vwt h ASP 88 Cb 0.91 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2vwt h ASP 88 CO 0.08 0.33 0.00 2.30 -1.72 0.00 0.00 179.24 180.23 2vwt n ILE 89 N -4.34 0.09 -0.55 0.35 -5.35 -1.06 -1.17 119.36 107.33 2vwt n ILE 89 Ca -0.00 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2vwt n ILE 89 Cb 0.21 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 2vwt n ILE 89 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vwt n GLY 90 N 0.76 0.87 3.59 3.28 0.00 -0.42 -4.27 105.19 109.01 2vwt n GLY 90 Ca 0.16 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2vwt n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt s ALA 91 N -2.00 2.89 -0.77 4.61 0.00 -0.90 -4.87 121.76 120.72 2vwt s ALA 91 Ca 0.00 -0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.08 2vwt s ALA 91 Cb 0.00 -4.01 0.32 0.00 0.00 0.00 0.00 23.12 19.43 2vwt s ALA 91 CO 0.00 -2.65 1.27 1.04 0.00 0.00 0.00 175.76 175.42 2vwt n GLN 92 N 8.35 0.18 -3.88 0.00 6.02 -1.26 -4.52 117.38 122.27 2vwt n GLN 92 Ca 0.18 0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.94 2vwt n GLN 92 Cb 0.48 -1.59 -0.17 0.00 1.02 0.00 0.00 30.24 29.98 2vwt n GLN 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2vwt s THR 93 N -3.11 0.92 -0.04 5.09 2.01 -1.26 -0.23 115.64 119.02 2vwt s THR 93 Ca 0.07 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2vwt s THR 93 Cb 0.15 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2vwt s THR 93 CO 0.74 0.32 -0.16 -0.76 -0.69 0.00 0.00 174.62 174.07 2vwt s LEU 94 N 1.75 2.65 -0.29 4.42 1.43 -0.58 -1.50 118.68 126.55 2vwt s LEU 94 Ca 0.04 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 2vwt s LEU 94 Cb -0.13 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2vwt s LEU 94 CO -0.08 0.34 0.06 -0.22 0.23 0.00 0.00 176.35 176.68 2vwt s LEU 95 N -0.75 3.73 -0.26 1.79 2.96 -0.50 -1.39 118.68 124.25 2vwt s LEU 95 Ca 0.11 -0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 2vwt s LEU 95 Cb -0.11 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2vwt s LEU 95 CO 0.01 -0.18 0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 2vwt s ILE 96 N 1.47 4.94 0.67 6.68 -1.09 0.27 -4.13 121.20 130.02 2vwt s ILE 96 Ca 0.02 0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 2vwt s ILE 96 Cb -0.17 -3.33 -0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2vwt s ILE 96 CO 0.01 0.30 1.06 -2.16 -1.23 0.00 0.00 174.94 172.92 2vwt s PRO 97 N 1.59 3.04 -1.31 2.79 0.04 -1.26 -0.43 135.00 139.45 2vwt s PRO 97 Ca 0.07 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 2vwt s PRO 97 Cb -0.15 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2vwt s PRO 97 CO 0.07 -1.02 0.94 -1.33 0.04 0.00 0.00 177.00 175.70 2vwt n MET 98 N -2.93 -6.17 -3.10 4.56 2.81 -1.25 -4.56 117.12 106.48 2vwt n MET 98 Ca 0.08 0.73 -0.43 0.00 -1.81 0.00 0.00 57.70 56.27 2vwt n MET 98 Cb 0.53 -5.59 -0.06 0.00 -0.71 0.00 0.00 33.22 27.39 2vwt n MET 98 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vwt s VAL 99 N -3.45 4.79 -0.11 2.03 1.01 -0.71 -4.90 120.40 119.07 2vwt s VAL 99 Ca 0.21 -0.31 0.17 0.00 0.00 0.00 0.00 61.98 62.05 2vwt s VAL 99 Cb -0.10 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.69 2vwt s VAL 99 CO 0.77 -0.84 0.42 0.47 0.00 0.00 0.00 175.10 175.92 2vwt n ASP 100 N 6.40 1.00 -4.06 3.32 8.00 -1.26 -4.43 116.55 125.51 2vwt n ASP 100 Ca -0.05 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 2vwt n ASP 100 Cb 0.46 1.71 -0.11 0.00 -0.02 0.00 0.00 41.12 43.16 2vwt n ASP 100 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2vwt s THR 101 N -3.14 0.28 0.32 -3.53 -4.23 -1.26 -3.77 115.64 100.30 2vwt s THR 101 Ca -0.05 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2vwt s THR 101 Cb 0.11 -0.96 0.27 0.00 1.34 0.00 0.00 72.50 73.26 2vwt s THR 101 CO 0.72 -0.72 1.97 0.00 -0.54 0.00 0.00 174.62 176.05 2vwt h ALA 102 N 3.85 1.50 -0.24 3.99 0.00 -1.87 -0.12 119.26 126.36 2vwt h ALA 102 Ca -0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2vwt h ALA 102 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2vwt h ALA 102 CO 0.53 0.44 0.12 1.49 0.00 0.00 0.00 179.25 181.83 2vwt h GLU 103 N 1.00 0.35 -0.56 0.00 4.57 -1.96 0.14 114.58 118.12 2vwt h GLU 103 Ca 0.31 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 2vwt h GLU 103 Cb -0.01 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 2vwt h GLU 103 CO -0.08 0.34 0.29 1.96 -1.18 0.00 0.00 179.01 180.34 2vwt h GLN 104 N 0.27 0.54 -0.62 1.92 4.20 -1.89 -0.95 115.11 118.58 2vwt h GLN 104 Ca 0.08 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2vwt h GLN 104 Cb 0.11 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2vwt h GLN 104 CO -0.01 0.36 0.41 0.00 -0.67 0.00 0.00 178.83 178.91 2vwt h ALA 105 N 1.30 0.79 -0.85 3.87 0.00 -0.57 -1.10 119.26 122.71 2vwt h ALA 105 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2vwt h ALA 105 Cb 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2vwt h ALA 105 CO -0.17 0.20 0.52 0.00 0.00 0.00 0.00 179.25 179.80 2vwt h ARG 106 N 0.82 1.15 -0.80 0.00 3.08 -0.40 -1.96 114.38 116.26 2vwt h ARG 106 Ca 0.23 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2vwt h ARG 106 Cb -0.07 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.70 2vwt h ARG 106 CO -0.06 0.80 0.34 1.96 -1.07 0.00 0.00 179.97 181.94 2vwt h GLN 107 N 1.16 1.19 -0.14 0.04 4.20 -0.91 0.33 115.11 120.98 2vwt h GLN 107 Ca 0.31 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2vwt h GLN 107 Cb -0.06 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2vwt h GLN 107 CO -0.06 0.95 0.09 0.28 -0.67 0.00 0.00 178.83 179.43 2vwt h VAL 108 N 1.16 1.04 -0.60 -0.54 2.07 -1.02 -1.16 116.25 117.20 2vwt h VAL 108 Ca 0.27 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2vwt h VAL 108 Cb 0.19 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2vwt h VAL 108 CO -0.03 0.04 0.34 0.58 0.02 0.00 0.00 177.57 178.53 2vwt h VAL 109 N 0.19 1.19 -0.72 2.57 2.07 -1.11 -2.52 116.25 117.92 2vwt h VAL 109 Ca 0.05 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2vwt h VAL 109 Cb -0.01 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2vwt h VAL 109 CO -0.01 0.20 0.48 -1.28 0.02 0.00 0.00 177.57 176.98 2vwt h SER 110 N 0.81 0.79 0.11 0.57 0.87 -0.68 -1.58 113.55 114.44 2vwt h SER 110 Ca 0.21 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2vwt h SER 110 Cb 0.02 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2vwt h SER 110 CO -0.04 0.56 -0.06 0.00 -0.53 0.00 0.00 176.83 176.77 2vwt h ALA 111 N 1.56 1.61 -0.00 6.23 0.00 -0.78 0.41 119.26 128.29 2vwt h ALA 111 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vwt h ALA 111 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vwt h ALA 111 CO -0.07 0.07 -0.53 0.25 0.00 0.00 0.00 179.25 178.97 2vwt n THR 112 N -4.04 0.00 -5.03 0.00 -2.24 -0.61 -4.10 114.28 98.26 2vwt n THR 112 Ca -0.03 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 2vwt n THR 112 Cb 0.14 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.71 2vwt n THR 112 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2vwt s ARG 113 N -2.85 2.26 0.77 -0.78 0.52 -1.09 -4.89 118.95 112.89 2vwt s ARG 113 Ca 0.14 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2vwt s ARG 113 Cb 0.18 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 33.50 2vwt s ARG 113 CO 0.68 0.58 1.08 0.71 0.02 0.00 0.00 175.30 178.38 2vwt s TYR 114 N -0.71 2.87 0.84 -0.53 2.02 -1.26 -0.23 117.35 120.34 2vwt s TYR 114 Ca 0.11 1.26 -0.12 0.00 -0.37 0.00 0.00 57.07 57.95 2vwt s TYR 114 Cb -0.10 -3.05 0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2vwt s TYR 114 CO 0.01 -1.65 -0.18 -2.30 -1.57 0.00 0.00 175.55 169.86 2vwt n PRO 115 N -3.37 -1.00 0.00 -1.71 -0.02 -1.13 -1.45 135.00 126.32 2vwt n PRO 115 Ca 0.07 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2vwt n PRO 115 Cb 0.55 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2vwt n PRO 115 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vwt n PRO 116 N 0.33 0.00 -0.00 0.52 -0.02 -1.26 -4.63 135.00 129.94 2vwt n PRO 116 Ca 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 2vwt n PRO 116 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.78 2vwt n PRO 116 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2vwt h TYR 117 N 0.00 -0.37 -2.62 6.00 3.20 -1.90 -3.46 116.97 117.82 2vwt h TYR 117 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2vwt h TYR 117 Cb 0.00 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2vwt h TYR 117 CO 0.00 -0.22 0.00 0.41 -1.64 0.00 0.00 178.16 176.71 2vwt n GLY 118 N -1.29 7.36 0.03 1.82 0.00 -0.53 -4.93 105.19 107.66 2vwt n GLY 118 Ca -0.03 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.07 2vwt n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vwt n GLU 119 N 0.00 2.61 -1.81 1.61 1.02 0.14 -2.84 120.64 121.38 2vwt n GLU 119 Ca 0.00 -1.76 -0.42 0.00 -0.02 0.00 0.00 57.16 54.96 2vwt n GLU 119 Cb 0.00 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2vwt n GLU 119 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2vwt s ARG 120 N -1.43 4.16 0.31 3.49 3.52 0.67 -4.91 118.95 124.76 2vwt s ARG 120 Ca 0.08 2.50 -0.28 0.00 -0.13 0.00 0.00 55.73 57.90 2vwt s ARG 120 Cb 0.07 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.99 2vwt s ARG 120 CO 0.01 -0.75 1.07 0.20 -0.81 0.00 0.00 175.30 175.02 2vwt s GLY 121 N 1.95 2.97 0.34 8.12 0.00 -1.26 -4.34 107.32 115.09 2vwt s GLY 121 Ca 0.76 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 46.02 2vwt s GLY 121 CO 0.33 1.36 1.10 0.14 0.00 0.00 0.00 173.10 176.03 2vwt s VAL 122 N -1.32 3.49 0.00 1.40 1.01 -1.26 -4.70 120.40 119.02 2vwt s VAL 122 Ca 0.48 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2vwt s VAL 122 Cb -0.28 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2vwt s VAL 122 CO 0.36 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2vwt n GLY 123 N 0.84 0.00 0.23 4.51 0.00 -1.26 -4.99 105.19 104.51 2vwt n GLY 123 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2vwt n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt h ALA 124 N 0.00 1.03 -0.02 4.61 0.00 -1.90 -3.14 119.26 119.83 2vwt h ALA 124 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2vwt h ALA 124 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vwt h ALA 124 CO 0.00 0.26 0.03 0.66 0.00 0.00 0.00 179.25 180.20 2vwt h SER 125 N 0.00 0.00 -0.31 0.00 4.64 -1.94 0.46 113.55 116.40 2vwt h SER 125 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2vwt h SER 125 Cb 0.72 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 2vwt h SER 125 CO 0.03 0.00 -0.09 1.33 -0.87 0.00 0.00 176.83 177.23 2vwt n VAL 126 N -3.84 2.48 -4.24 0.95 0.24 -1.19 -2.22 118.33 110.51 2vwt n VAL 126 Ca -0.02 -2.65 -0.11 0.00 -2.04 0.00 0.00 64.34 59.51 2vwt n VAL 126 Cb 0.11 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 2vwt n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vwt n ALA 127 N -1.06 0.22 -0.19 2.33 0.00 0.16 -4.68 120.51 117.29 2vwt n ALA 127 Ca 0.30 -0.88 0.07 0.00 0.00 0.00 0.00 53.44 52.93 2vwt n ALA 127 Cb 0.99 0.56 0.36 0.00 0.00 0.00 0.00 19.45 21.35 2vwt n ALA 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2vwt h ARG 128 N 0.00 0.73 -0.85 0.00 2.43 -1.78 -0.62 114.38 114.29 2vwt h ARG 128 Ca -0.15 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.13 2vwt h ARG 128 Cb 0.51 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.80 2vwt h ARG 128 CO 0.23 0.48 0.43 0.00 -1.51 0.00 0.00 179.97 179.61 2vwt h ALA 129 N 1.61 1.28 -0.60 2.80 0.00 -1.32 0.87 119.26 123.89 2vwt h ALA 129 Ca 0.32 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2vwt h ALA 129 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2vwt h ALA 129 CO -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2vwt n ALA 130 N -2.43 3.38 -4.09 0.00 0.00 -1.12 -4.88 120.51 111.38 2vwt n ALA 130 Ca 0.17 -1.76 -0.32 0.00 0.00 0.00 0.00 53.44 51.53 2vwt n ALA 130 Cb 0.44 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2vwt n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vwt n ARG 131 N 0.84 -1.69 -3.27 0.00 5.12 0.30 -1.10 116.66 116.86 2vwt n ARG 131 Ca 0.26 0.23 -0.24 0.00 -1.93 0.00 0.00 57.85 56.18 2vwt n ARG 131 Cb 1.01 -3.80 0.03 0.00 -1.16 0.00 0.00 32.46 28.54 2vwt n ARG 131 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2vwt n TRP 132 N -4.56 -2.05 -0.00 -1.55 8.01 -0.26 -1.52 117.44 115.50 2vwt n TRP 132 Ca -0.27 0.60 0.00 0.00 -1.31 0.00 0.00 57.50 56.52 2vwt n TRP 132 Cb 0.66 -4.05 0.00 0.00 -2.01 0.00 0.00 31.31 25.91 2vwt n TRP 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2vwt n GLY 133 N -1.49 0.03 0.15 6.99 0.00 -0.65 -4.89 105.19 105.33 2vwt n GLY 133 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2vwt n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vwt h ARG 134 N 3.99 0.00 -6.49 1.61 -0.00 -0.80 -3.37 114.38 109.32 2vwt h ARG 134 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 2vwt h ARG 134 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 29.89 2vwt h ARG 134 CO 0.00 0.54 0.82 0.42 0.00 0.00 0.00 179.97 181.75 2vwt s ILE 135 N -3.59 4.26 0.34 2.04 -1.09 -0.26 -4.38 121.20 118.52 2vwt s ILE 135 Ca -0.01 0.98 -0.25 0.00 -2.23 0.00 0.00 60.65 59.14 2vwt s ILE 135 Cb 0.12 -4.58 -0.10 0.00 -1.58 0.00 0.00 42.46 36.32 2vwt s ILE 135 CO 0.74 -1.03 0.96 -1.61 -1.23 0.00 0.00 174.94 172.77 2vwt s GLU 136 N 4.32 4.51 -1.45 2.79 0.41 -1.24 -3.85 118.70 124.19 2vwt s GLU 136 Ca 0.43 1.33 -0.09 0.00 -0.41 0.00 0.00 54.97 56.24 2vwt s GLU 136 Cb -0.08 -2.72 0.05 0.00 -1.78 0.00 0.00 34.13 29.60 2vwt s GLU 136 CO 0.29 0.21 0.88 0.09 -0.49 0.00 0.00 175.26 176.23 2vwt n ASN 137 N 0.39 -3.52 -0.13 -0.19 5.03 -1.26 -4.86 115.26 110.72 2vwt n ASN 137 Ca 0.03 -0.79 -0.04 0.00 0.87 0.00 0.00 54.58 54.64 2vwt n ASN 137 Cb 0.50 -3.96 0.04 0.00 -1.02 0.00 0.00 39.78 35.35 2vwt n ASN 137 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2vwt h TYR 138 N -2.03 0.08 -0.34 3.10 3.20 -1.96 -0.71 116.97 118.31 2vwt h TYR 138 Ca -0.59 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.40 2vwt h TYR 138 Cb 1.37 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 2vwt h TYR 138 CO 0.53 -0.03 0.25 0.52 -1.64 0.00 0.00 178.16 177.79 2vwt h MET 139 N 0.17 0.01 0.08 1.82 2.86 -1.93 -1.08 114.93 116.86 2vwt h MET 139 Ca 0.21 -0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.60 2vwt h MET 139 Cb 0.28 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2vwt h MET 139 CO -0.30 0.01 -1.13 0.00 1.06 0.00 0.00 176.91 176.55 2vwt h ALA 140 N 1.83 0.22 0.00 6.32 0.00 -1.51 -3.34 119.26 122.77 2vwt h ALA 140 Ca 0.16 -0.87 -0.19 0.00 0.00 0.00 0.00 54.91 54.01 2vwt h ALA 140 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2vwt h ALA 140 CO -0.00 1.05 -1.03 1.96 0.00 0.00 0.00 179.25 181.23 2vwt h GLN 141 N 0.06 0.00 -0.34 0.00 4.20 -0.95 -3.42 115.11 114.66 2vwt h GLN 141 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2vwt h GLN 141 Cb 1.86 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.62 2vwt h GLN 141 CO 0.17 0.67 0.20 -0.24 -0.67 0.00 0.00 178.83 178.96 2vwt h VAL 142 N 0.00 1.12 -0.55 -0.54 3.04 -1.34 -2.89 116.25 115.09 2vwt h VAL 142 Ca -0.07 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2vwt h VAL 142 Cb 1.67 0.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.63 2vwt h VAL 142 CO 0.09 0.12 0.35 0.78 -1.01 0.00 0.00 177.57 177.91 2vwt h ASN 143 N 0.43 0.64 0.61 3.17 2.35 -1.83 -0.85 115.58 120.11 2vwt h ASN 143 Ca 0.12 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2vwt h ASN 143 Cb 0.02 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2vwt h ASN 143 CO -0.02 0.48 -0.08 -0.78 -1.65 0.00 0.00 177.43 175.38 2vwt h ASP 144 N 0.75 0.00 -0.01 5.81 3.58 -1.83 -2.87 116.42 121.85 2vwt h ASP 144 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2vwt h ASP 144 Cb -0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2vwt h ASP 144 CO -0.04 0.08 -0.26 -1.54 -2.88 0.00 0.00 179.24 174.59 2vwt n SER 145 N -3.31 1.66 -4.74 2.28 3.41 -0.38 -4.94 113.62 107.59 2vwt n SER 145 Ca -0.01 -1.33 -0.39 0.00 -0.26 0.00 0.00 58.87 56.88 2vwt n SER 145 Cb 0.26 0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 2vwt n SER 145 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vwt s LEU 146 N -1.85 4.39 -0.19 1.04 1.43 -0.87 -4.56 118.68 118.07 2vwt s LEU 146 Ca 0.13 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2vwt s LEU 146 Cb 0.12 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 43.31 2vwt s LEU 146 CO 0.35 0.01 -0.18 0.00 0.23 0.00 0.00 176.35 176.76 2vwt s LEU 148 N 1.29 2.75 -0.10 0.00 2.96 -1.26 -1.53 118.68 122.79 2vwt s LEU 148 Ca 0.04 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2vwt s LEU 148 Cb -0.14 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2vwt s LEU 148 CO -0.12 -0.01 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.91 2vwt s LEU 149 N 1.41 2.05 0.04 -0.68 1.43 -0.49 -0.48 118.68 121.96 2vwt s LEU 149 Ca 0.05 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 2vwt s LEU 149 Cb -0.14 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2vwt s LEU 149 CO -0.05 0.15 -0.26 0.68 0.23 0.00 0.00 176.35 177.10 2vwt s VAL 150 N 0.37 2.19 -0.15 -1.59 -7.23 -0.51 -0.56 120.40 112.92 2vwt s VAL 150 Ca -0.19 -1.34 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 2vwt s VAL 150 Cb -0.18 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2vwt s VAL 150 CO 0.08 0.39 0.45 -1.10 -0.31 0.00 0.00 175.10 174.62 2vwt s GLN 151 N -1.17 4.29 -0.33 4.82 -0.21 0.42 -0.31 119.66 127.18 2vwt s GLN 151 Ca 0.12 0.37 -0.06 0.00 0.02 0.00 0.00 55.36 55.80 2vwt s GLN 151 Cb -0.10 -3.46 0.03 0.00 1.00 0.00 0.00 33.01 30.48 2vwt s GLN 151 CO 0.02 0.10 0.09 0.08 -2.12 0.00 0.00 175.29 173.46 2vwt s VAL 152 N 0.83 3.76 0.00 1.09 1.01 0.15 -1.74 120.40 125.50 2vwt s VAL 152 Ca 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2vwt s VAL 152 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2vwt s VAL 152 CO 0.09 -0.12 0.67 -1.84 0.00 0.00 0.00 175.10 173.90 2vwt n GLU 153 N 4.81 0.00 -4.30 2.72 0.28 -1.26 -3.98 120.64 118.91 2vwt n GLU 153 Ca -0.13 -0.51 -0.16 0.00 -0.16 0.00 0.00 57.16 56.20 2vwt n GLU 153 Cb 0.45 -0.29 -0.10 0.00 1.43 0.00 0.00 31.44 32.93 2vwt n GLU 153 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2vwt s SER 154 N -0.44 1.20 0.17 -1.84 1.04 -1.26 -2.81 113.70 109.76 2vwt s SER 154 Ca 0.00 -1.33 -0.11 0.00 0.48 0.00 0.00 55.95 54.99 2vwt s SER 154 Cb 0.00 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.34 2vwt s SER 154 CO 0.00 -0.69 1.68 0.50 0.98 0.00 0.00 173.24 175.72 2vwt h LYS 155 N 2.46 0.94 -0.45 4.02 1.63 -1.88 -2.34 116.57 120.94 2vwt h LYS 155 Ca -0.38 -0.22 0.09 0.00 -0.85 0.00 0.00 60.65 59.29 2vwt h LYS 155 Cb 1.24 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.67 2vwt h LYS 155 CO 0.61 0.86 0.01 1.15 -3.45 0.00 0.00 179.45 178.63 2vwt h THR 156 N 0.85 0.66 -0.57 1.00 2.02 -1.96 -1.83 112.91 113.08 2vwt h THR 156 Ca 0.19 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2vwt h THR 156 Cb 0.34 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2vwt h THR 156 CO 0.00 0.02 0.25 0.00 0.37 0.00 0.00 175.52 176.16 2vwt h ALA 157 N 1.40 0.74 -0.58 6.16 0.00 -1.59 -0.78 119.26 124.61 2vwt h ALA 157 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vwt h ALA 157 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2vwt h ALA 157 CO -0.37 0.33 0.38 -0.07 0.00 0.00 0.00 179.25 179.52 2vwt h LEU 158 N 0.78 0.67 -1.13 0.00 3.38 -1.29 -0.62 115.31 117.11 2vwt h LEU 158 Ca 0.19 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.27 2vwt h LEU 158 Cb 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2vwt h LEU 158 CO -0.02 0.49 0.61 0.44 0.09 0.00 0.00 178.44 180.05 2vwt h ASP 159 N 0.79 0.81 -0.47 -0.43 3.32 -0.86 -1.97 116.42 117.61 2vwt h ASP 159 Ca 0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2vwt h ASP 159 Cb -0.08 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2vwt h ASP 159 CO -0.05 0.42 0.00 0.59 -1.72 0.00 0.00 179.24 178.49 2vwt n ASN 160 N -4.60 2.53 -0.28 6.45 3.02 -0.34 -4.63 115.26 117.43 2vwt n ASN 160 Ca 0.18 -1.99 -0.04 0.00 -0.03 0.00 0.00 54.58 52.70 2vwt n ASN 160 Cb 0.40 -0.31 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2vwt n ASN 160 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2vwt h LEU 161 N 2.78 0.84 -0.40 3.41 5.85 -0.33 -1.16 115.31 126.30 2vwt h LEU 161 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2vwt h LEU 161 Cb 0.64 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2vwt h LEU 161 CO 0.00 0.60 0.24 0.44 -0.34 0.00 0.00 178.44 179.38 2vwt h ASP 162 N 1.00 0.49 -0.40 1.25 3.32 -1.82 0.51 116.42 120.77 2vwt h ASP 162 Ca 0.29 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2vwt h ASP 162 Cb -0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2vwt h ASP 162 CO -0.08 0.41 0.21 -0.33 -1.72 0.00 0.00 179.24 177.73 2vwt h GLU 163 N 0.53 0.56 -0.34 3.56 5.08 -1.78 -2.41 114.58 119.78 2vwt h GLU 163 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2vwt h GLU 163 Cb 0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2vwt h GLU 163 CO -0.03 0.47 0.18 0.82 -1.00 0.00 0.00 179.01 179.45 2vwt h ILE 164 N 0.51 1.14 0.00 3.13 2.04 -1.05 -2.44 117.51 120.84 2vwt h ILE 164 Ca 0.14 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2vwt h ILE 164 Cb 0.08 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2vwt h ILE 164 CO -0.02 0.15 -0.03 -0.07 0.00 0.00 0.00 178.15 178.18 2vwt h LEU 165 N 0.42 0.00 -0.55 1.44 3.38 -0.67 -1.62 115.31 117.71 2vwt h LEU 165 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vwt h LEU 165 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2vwt h LEU 165 CO -0.02 0.03 -0.08 0.47 0.09 0.00 0.00 178.44 178.93 2vwt n ASP 166 N -3.68 0.92 -4.68 -0.43 8.00 -0.93 -4.89 116.55 110.88 2vwt n ASP 166 Ca -0.03 -1.08 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 2vwt n ASP 166 Cb 0.12 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2vwt n ASP 166 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vwt s VAL 167 N -2.21 4.56 0.09 2.53 1.01 -0.61 -4.98 120.40 120.79 2vwt s VAL 167 Ca 0.35 1.86 -0.31 0.00 0.00 0.00 0.00 61.98 63.88 2vwt s VAL 167 Cb 0.21 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2vwt s VAL 167 CO 0.41 -0.06 1.68 -0.70 0.00 0.00 0.00 175.10 176.43 2vwt s GLU 168 N 2.57 4.19 0.00 2.72 2.56 -1.26 -2.87 118.70 126.60 2vwt s GLU 168 Ca 0.50 2.38 0.00 0.00 0.00 0.00 0.00 54.97 57.85 2vwt s GLU 168 Cb -0.19 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.38 2vwt s GLU 168 CO 0.15 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 2vwt n GLY 169 N 4.02 0.56 3.63 -1.50 0.00 -1.26 -4.94 105.19 105.70 2vwt n GLY 169 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2vwt n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vwt s ILE 170 N -2.00 5.03 -0.11 -0.61 1.01 -1.14 -4.52 121.20 118.87 2vwt s ILE 170 Ca 0.00 1.03 0.16 0.00 0.00 0.00 0.00 60.65 61.84 2vwt s ILE 170 Cb 0.00 -3.89 -0.20 0.00 0.01 0.00 0.00 42.46 38.38 2vwt s ILE 170 CO 0.00 0.08 0.59 0.47 0.00 0.00 0.00 174.94 176.07 2vwt n ASP 171 N 5.46 0.61 -3.53 3.58 8.00 0.37 -4.98 116.55 126.06 2vwt n ASP 171 Ca -0.02 0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 2vwt n ASP 171 Cb 0.49 0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 2vwt n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2vwt s GLY 172 N -5.01 -0.51 -0.11 0.44 0.00 -1.11 -2.42 107.32 98.60 2vwt s GLY 172 Ca -0.05 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.54 2vwt s GLY 172 CO 0.83 0.51 -0.23 0.14 0.00 0.00 0.00 173.10 174.35 2vwt s VAL 173 N -2.20 2.14 -0.10 1.40 1.01 0.16 -1.42 120.40 121.38 2vwt s VAL 173 Ca -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2vwt s VAL 173 Cb -0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2vwt s VAL 173 CO 0.01 0.56 -0.05 0.12 0.00 0.00 0.00 175.10 175.73 2vwt s PHE 174 N 0.42 2.99 -0.23 5.22 2.19 0.58 -0.40 117.98 128.74 2vwt s PHE 174 Ca -0.17 -0.10 -0.05 0.00 0.33 0.00 0.00 56.93 56.95 2vwt s PHE 174 Cb -0.17 -1.81 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 2vwt s PHE 174 CO 0.07 0.20 -0.01 0.42 1.83 0.00 0.00 175.22 177.73 2vwt s ILE 175 N -0.37 3.68 -0.38 3.12 1.01 -0.10 -0.67 121.20 127.48 2vwt s ILE 175 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 2vwt s ILE 175 Cb -0.12 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2vwt s ILE 175 CO 0.02 0.40 0.38 -0.83 0.00 0.00 0.00 174.94 174.91 2vwt s GLY 176 N 1.50 1.91 0.28 6.18 0.00 -1.26 -3.81 107.32 112.13 2vwt s GLY 176 Ca 0.06 -1.39 0.09 0.00 0.00 0.00 0.00 44.72 43.48 2vwt s GLY 176 CO -0.01 1.05 1.65 -0.56 0.00 0.00 0.00 173.10 175.23 2vwt h PRO 177 N 8.59 0.10 -0.02 2.90 0.13 -1.95 -2.42 132.00 139.34 2vwt h PRO 177 Ca -0.28 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 2vwt h PRO 177 Cb 1.13 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.27 2vwt h PRO 177 CO 0.74 0.61 -0.56 0.00 -0.23 0.00 0.00 178.00 178.57 2vwt h ALA 178 N 1.37 0.09 -0.62 -0.56 0.00 -1.94 0.97 119.26 118.58 2vwt h ALA 178 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2vwt h ALA 178 Cb 0.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2vwt h ALA 178 CO 0.08 0.34 0.35 -0.44 0.00 0.00 0.00 179.25 179.57 2vwt h ASP 179 N -0.09 0.76 -0.25 0.00 3.32 -1.84 -1.81 116.42 116.51 2vwt h ASP 179 Ca -0.06 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2vwt h ASP 179 Cb 1.26 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2vwt h ASP 179 CO 0.11 0.62 0.06 0.25 -1.72 0.00 0.00 179.24 178.56 2vwt h LEU 180 N 0.84 0.38 -0.28 1.55 5.85 -1.26 -1.30 115.31 121.08 2vwt h LEU 180 Ca 0.22 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2vwt h LEU 180 Cb 0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2vwt h LEU 180 CO -0.04 0.52 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.20 2vwt h SER 181 N 0.23 -0.37 -0.04 1.25 0.87 -0.76 -0.89 113.55 113.84 2vwt h SER 181 Ca 0.08 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2vwt h SER 181 Cb 0.29 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 2vwt h SER 181 CO 0.00 -0.14 -0.23 0.00 -0.53 0.00 0.00 176.83 175.94 2vwt h ALA 182 N 1.20 -0.27 -0.15 6.23 0.00 -1.10 -1.49 119.26 123.68 2vwt h ALA 182 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2vwt h ALA 182 Cb 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2vwt h ALA 182 CO -0.32 -0.71 0.10 1.03 0.00 0.00 0.00 179.25 179.35 2vwt h SER 183 N -0.34 0.15 0.17 0.00 0.87 -0.93 -1.64 113.55 111.83 2vwt h SER 183 Ca 0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2vwt h SER 183 Cb 0.44 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2vwt h SER 183 CO -0.23 0.11 0.00 0.18 -0.53 0.00 0.00 176.83 176.36 2vwt n LEU 184 N -4.51 0.00 0.00 2.23 4.77 -0.37 -4.64 117.00 114.47 2vwt n LEU 184 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2vwt n LEU 184 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2vwt n LEU 184 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2vwt n GLY 185 N 1.07 1.04 2.37 -0.72 0.00 -0.62 -5.04 105.19 103.28 2vwt n GLY 185 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2vwt n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vwt n TYR 186 N -1.88 2.10 -2.12 1.61 4.02 -0.60 -5.03 117.16 115.27 2vwt n TYR 186 Ca 0.00 -3.93 -0.40 0.00 -0.01 0.00 0.00 57.90 53.55 2vwt n TYR 186 Cb 0.00 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 38.84 2vwt n TYR 186 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2vwt s PRO 187 N -1.90 4.31 -0.10 -0.72 0.02 -1.26 -2.62 135.00 132.74 2vwt s PRO 187 Ca 0.37 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.59 2vwt s PRO 187 Cb 0.14 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.63 2vwt s PRO 187 CO -0.06 -0.22 0.00 -0.25 -0.33 0.00 0.00 177.00 176.14 2vwt n ASP 188 N 0.72 -4.97 -3.18 2.53 8.00 -1.26 -4.93 116.55 113.46 2vwt n ASP 188 Ca 0.00 0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.31 2vwt n ASP 188 Cb 0.42 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.12 38.91 2vwt n ASP 188 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vwt n ASN 189 N -0.63 -0.76 0.05 -2.24 4.05 -1.08 -4.92 115.26 109.73 2vwt n ASN 189 Ca -0.01 -2.66 0.07 0.00 0.45 0.00 0.00 54.58 52.43 2vwt n ASN 189 Cb 0.34 -0.11 0.32 0.00 1.23 0.00 0.00 39.78 41.55 2vwt n ASN 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2vwt n ALA 190 N 2.12 1.48 0.96 5.20 0.00 -1.26 -3.02 120.51 125.99 2vwt n ALA 190 Ca 0.23 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.81 2vwt n ALA 190 Cb 0.52 -1.23 0.58 0.00 0.00 0.00 0.00 19.45 19.32 2vwt n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vwt n GLY 191 N -0.41 -1.37 3.72 0.00 0.00 -1.26 -4.09 105.19 101.78 2vwt n GLY 191 Ca 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2vwt n GLY 191 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vwt s HIS 192 N -2.93 3.06 0.40 1.61 2.46 -1.17 -4.85 115.29 113.87 2vwt s HIS 192 Ca 0.15 0.65 0.23 0.00 0.47 0.00 0.00 55.06 56.56 2vwt s HIS 192 Cb 0.17 -3.90 1.29 0.00 -0.13 0.00 0.00 32.58 30.01 2vwt s HIS 192 CO 0.47 -3.32 1.64 -1.35 -2.47 0.00 0.00 174.74 169.71 2vwt h PRO 193 N 6.85 0.16 -0.31 2.88 0.11 -1.94 0.12 132.00 139.87 2vwt h PRO 193 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2vwt h PRO 193 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2vwt h PRO 193 CO 0.91 0.11 0.20 1.49 -0.21 0.00 0.00 178.00 180.49 2vwt h GLU 194 N 0.17 0.41 -0.02 1.05 4.81 -1.95 -1.85 114.58 117.20 2vwt h GLU 194 Ca 0.78 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.98 2vwt h GLU 194 Cb 2.18 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 2vwt h GLU 194 CO -0.50 0.30 0.01 0.28 -0.73 0.00 0.00 179.01 178.36 2vwt h VAL 195 N 0.41 1.11 -0.87 0.32 2.07 -1.07 -1.51 116.25 116.71 2vwt h VAL 195 Ca 0.11 -0.34 0.15 0.00 0.82 0.00 0.00 66.70 67.44 2vwt h VAL 195 Cb -0.02 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2vwt h VAL 195 CO -0.02 0.09 0.46 1.56 0.02 0.00 0.00 177.57 179.68 2vwt h GLN 196 N -0.11 0.64 -0.45 1.57 1.08 -1.35 0.63 115.11 117.12 2vwt h GLN 196 Ca 0.01 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2vwt h GLN 196 Cb 0.14 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2vwt h GLN 196 CO -0.00 0.42 0.12 0.00 -0.95 0.00 0.00 178.83 178.43 2vwt h ARG 197 N 0.66 0.71 -0.35 1.46 3.08 -1.00 -0.81 114.38 118.13 2vwt h ARG 197 Ca 0.47 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2vwt h ARG 197 Cb 0.65 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2vwt h ARG 197 CO -0.35 0.70 0.12 0.82 -1.07 0.00 0.00 179.97 180.18 2vwt h ILE 198 N 0.60 1.20 -0.05 2.04 1.08 -0.66 -1.67 117.51 120.05 2vwt h ILE 198 Ca 0.14 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2vwt h ILE 198 Cb 0.30 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 2vwt h ILE 198 CO -0.00 0.23 -0.06 0.40 -0.69 0.00 0.00 178.15 178.03 2vwt h ILE 199 N 0.41 0.83 -0.02 -0.67 2.04 -0.75 -0.03 117.51 119.33 2vwt h ILE 199 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2vwt h ILE 199 Cb 0.24 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2vwt h ILE 199 CO -0.00 0.00 -0.00 -0.08 0.00 0.00 0.00 178.15 178.06 2vwt h GLU 200 N -0.08 0.00 -0.42 2.37 4.81 -1.07 -1.07 114.58 119.13 2vwt h GLU 200 Ca 0.04 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2vwt h GLU 200 Cb 0.14 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2vwt h GLU 200 CO -0.10 0.00 0.02 1.79 -0.73 0.00 0.00 179.01 179.99 2vwt h THR 201 N 0.00 1.22 -0.31 0.32 1.35 -1.26 -1.48 112.91 112.75 2vwt h THR 201 Ca 0.01 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 2vwt h THR 201 Cb 0.01 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2vwt h THR 201 CO -0.02 0.30 0.03 0.28 -0.25 0.00 0.00 175.52 175.86 2vwt h SER 202 N 0.63 0.51 -0.16 5.36 0.02 -0.82 0.01 113.55 119.10 2vwt h SER 202 Ca 0.13 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2vwt h SER 202 Cb 0.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2vwt h SER 202 CO 0.01 0.67 0.09 0.40 -1.14 0.00 0.00 176.83 176.86 2vwt h ILE 203 N 0.34 1.02 -0.73 3.27 2.04 -1.00 -1.06 117.51 121.39 2vwt h ILE 203 Ca 0.09 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2vwt h ILE 203 Cb 0.39 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2vwt h ILE 203 CO 0.01 0.04 0.38 0.03 0.00 0.00 0.00 178.15 178.60 2vwt h ARG 204 N 0.19 1.04 -0.82 2.37 3.08 -1.22 -1.93 114.38 117.09 2vwt h ARG 204 Ca 0.06 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2vwt h ARG 204 Cb -0.01 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 2vwt h ARG 204 CO -0.03 0.79 0.54 0.00 -1.07 0.00 0.00 179.97 180.20 2vwt h ARG 205 N 1.01 1.06 -0.14 0.04 3.08 -0.71 0.15 114.38 118.88 2vwt h ARG 205 Ca 0.25 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2vwt h ARG 205 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2vwt h ARG 205 CO -0.04 0.70 0.04 0.82 -1.07 0.00 0.00 179.97 180.43 2vwt h ILE 206 N 1.09 1.19 -0.61 2.04 2.04 -0.79 -1.03 117.51 121.43 2vwt h ILE 206 Ca 0.31 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2vwt h ILE 206 Cb -0.10 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2vwt h ILE 206 CO -0.08 0.17 0.18 0.03 0.00 0.00 0.00 178.15 178.46 2vwt h ARG 207 N 0.04 0.96 -0.08 2.37 2.47 -1.23 -2.22 114.38 116.69 2vwt h ARG 207 Ca 0.04 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2vwt h ARG 207 Cb 0.23 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2vwt h ARG 207 CO -0.00 0.86 0.06 0.00 0.56 0.00 0.00 179.97 181.45 2vwt h ALA 208 N 1.06 2.01 -0.01 0.04 0.00 -0.45 -0.41 119.26 121.49 2vwt h ALA 208 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vwt h ALA 208 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2vwt h ALA 208 CO -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2vwt n ALA 209 N -2.52 2.56 -1.08 0.00 0.00 -0.41 -4.89 120.51 114.17 2vwt n ALA 209 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 2vwt n ALA 209 Cb 0.17 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 2vwt n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vwt n GLY 210 N 0.69 0.57 3.81 0.00 0.00 -0.16 -5.04 105.19 105.06 2vwt n GLY 210 Ca 0.08 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2vwt n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwt s LYS 211 N -1.43 2.89 0.37 1.61 -0.14 -0.99 -5.03 119.74 117.02 2vwt s LYS 211 Ca 0.00 -1.05 -0.26 0.00 -1.36 0.00 0.00 55.97 53.30 2vwt s LYS 211 Cb 0.00 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 2vwt s LYS 211 CO 0.00 0.41 1.14 0.00 -0.76 0.00 0.00 175.35 176.14 2vwt s ALA 212 N -2.09 3.20 -0.12 5.17 0.00 -1.02 -3.84 121.76 123.07 2vwt s ALA 212 Ca 0.32 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.23 2vwt s ALA 212 Cb -0.08 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2vwt s ALA 212 CO 0.24 -0.40 -0.22 0.00 0.00 0.00 0.00 175.76 175.39 2vwt s ALA 213 N -1.40 2.27 0.31 0.00 0.00 -1.26 -0.66 121.76 121.01 2vwt s ALA 213 Ca 0.54 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.58 2vwt s ALA 213 Cb -0.30 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2vwt s ALA 213 CO 0.37 0.13 -0.07 0.20 0.00 0.00 0.00 175.76 176.39 2vwt s GLY 214 N 0.58 1.94 -0.12 0.00 0.00 0.47 0.14 107.32 110.32 2vwt s GLY 214 Ca -0.12 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.42 2vwt s GLY 214 CO 0.04 -1.90 0.80 -0.12 0.00 0.00 0.00 173.10 171.92 2vwt s PHE 215 N -2.48 -0.58 -0.24 1.90 5.36 -0.94 -0.93 117.98 120.07 2vwt s PHE 215 Ca 0.32 1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 57.33 2vwt s PHE 215 Cb -0.03 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 2vwt s PHE 215 CO 0.18 -0.48 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.27 2vwt s LEU 216 N -0.89 3.15 -0.29 6.12 2.96 -1.25 -0.60 118.68 127.89 2vwt s LEU 216 Ca -0.06 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2vwt s LEU 216 Cb -0.01 -1.76 0.08 0.00 0.50 0.00 0.00 46.19 45.01 2vwt s LEU 216 CO 0.05 -0.07 0.03 0.00 -1.32 0.00 0.00 176.35 175.04 2vwt s ALA 217 N 1.46 2.05 -0.46 5.97 0.00 0.19 -4.65 121.76 126.32 2vwt s ALA 217 Ca 0.04 -1.75 0.26 0.00 0.00 0.00 0.00 51.96 50.51 2vwt s ALA 217 Cb -0.15 -1.63 0.75 0.00 0.00 0.00 0.00 23.12 22.08 2vwt s ALA 217 CO -0.02 -1.48 1.74 -0.39 0.00 0.00 0.00 175.76 175.61 2vwt h VAL 218 N 6.59 0.00 -3.71 0.00 -1.51 -1.82 -3.35 116.25 112.45 2vwt h VAL 218 Ca -0.13 -0.64 -0.63 0.00 -1.23 0.00 0.00 66.70 64.07 2vwt h VAL 218 Cb 1.04 1.61 -0.15 0.00 -2.13 0.00 0.00 31.29 31.66 2vwt h VAL 218 CO 0.46 0.00 -0.22 0.00 -1.23 0.00 0.00 177.57 176.57 2vwt s ALA 219 N -3.26 3.56 0.44 5.19 0.00 -1.26 -4.85 121.76 121.58 2vwt s ALA 219 Ca 0.07 -0.83 0.17 0.00 0.00 0.00 0.00 51.96 51.37 2vwt s ALA 219 Cb 0.09 -2.73 1.10 0.00 0.00 0.00 0.00 23.12 21.58 2vwt s ALA 219 CO 0.59 -0.70 1.93 -1.35 0.00 0.00 0.00 175.76 176.23 2vwt h PRO 220 N 8.19 0.34 -0.47 0.00 0.11 -1.88 -1.52 132.00 136.78 2vwt h PRO 220 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vwt h PRO 220 Cb 1.16 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2vwt h PRO 220 CO 0.65 0.23 0.31 -0.44 -0.21 0.00 0.00 178.00 178.54 2vwt h ASP 221 N 0.35 0.55 -0.51 -2.05 3.32 -1.95 0.38 116.42 116.51 2vwt h ASP 221 Ca 0.35 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 2vwt h ASP 221 Cb 0.87 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2vwt h ASP 221 CO -0.10 0.41 0.15 -0.03 -1.72 0.00 0.00 179.24 177.95 2vwt h MET 222 N 0.64 0.81 -0.39 3.56 4.05 -1.73 -1.58 114.93 120.29 2vwt h MET 222 Ca 0.17 -0.18 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2vwt h MET 222 Cb -0.06 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.59 2vwt h MET 222 CO -0.04 0.76 0.12 0.00 0.23 0.00 0.00 176.91 177.99 2vwt h ALA 223 N 1.01 0.45 -0.63 0.39 0.00 -1.00 0.25 119.26 119.73 2vwt h ALA 223 Ca 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2vwt h ALA 223 Cb 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2vwt h ALA 223 CO -0.00 -0.28 0.34 1.96 0.00 0.00 0.00 179.25 181.27 2vwt h GLN 224 N 0.27 0.87 -0.30 0.00 1.08 -0.72 -1.47 115.11 114.84 2vwt h GLN 224 Ca 0.18 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2vwt h GLN 224 Cb 0.18 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2vwt h GLN 224 CO -0.20 0.64 -0.06 0.37 -0.95 0.00 0.00 178.83 178.64 2vwt h GLN 225 N 0.88 0.57 -0.26 1.46 5.75 -0.74 -1.45 115.11 121.32 2vwt h GLN 225 Ca 0.22 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 2vwt h GLN 225 Cb 0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2vwt h GLN 225 CO -0.04 0.75 -0.29 0.00 -2.65 0.00 0.00 178.83 176.61 2vwt h LEU 227 N 0.45 0.58 -1.28 0.00 3.38 -1.20 -0.21 115.31 117.03 2vwt h LEU 227 Ca 0.06 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2vwt h LEU 227 Cb 0.73 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2vwt h LEU 227 CO 0.06 0.48 0.49 0.00 0.09 0.00 0.00 178.44 179.55 2vwt h ALA 228 N 1.13 1.49 0.00 1.53 0.00 -0.76 -1.76 119.26 120.88 2vwt h ALA 228 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vwt h ALA 228 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2vwt h ALA 228 CO -0.03 0.47 0.00 0.91 0.00 0.00 0.00 179.25 180.60 2vwt n TRP 229 N -4.43 0.29 0.00 0.00 8.01 -0.40 -4.89 117.44 116.02 2vwt n TRP 229 Ca 0.08 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.38 2vwt n TRP 229 Cb 0.05 -0.67 0.00 0.00 -2.01 0.00 0.00 31.31 28.68 2vwt n TRP 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2vwt n GLY 230 N 0.42 1.12 3.76 6.99 0.00 -0.66 -4.32 105.19 112.50 2vwt n GLY 230 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2vwt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt s ALA 231 N -2.00 3.62 0.00 4.61 0.00 -0.13 -4.72 121.76 123.15 2vwt s ALA 231 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2vwt s ALA 231 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2vwt s ALA 231 CO 0.00 -0.84 0.54 0.27 0.00 0.00 0.00 175.76 175.73 2vwt n ASN 232 N 1.70 0.78 -3.77 0.00 6.94 0.12 -4.49 115.26 116.54 2vwt n ASN 232 Ca 0.05 -1.29 -0.30 0.00 -0.02 0.00 0.00 54.58 53.02 2vwt n ASN 232 Cb 0.40 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.67 2vwt n ASN 232 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2vwt s PHE 233 N -0.29 1.94 -0.15 -2.53 -0.71 -0.90 -1.74 117.98 113.60 2vwt s PHE 233 Ca 0.00 -1.87 0.01 0.00 -1.04 0.00 0.00 56.93 54.04 2vwt s PHE 233 Cb 0.00 -1.84 0.02 0.00 -1.21 0.00 0.00 43.02 39.99 2vwt s PHE 233 CO 0.00 -0.88 -0.18 0.08 -1.34 0.00 0.00 175.22 172.90 2vwt s VAL 234 N 1.54 1.86 -0.07 -2.49 1.01 -0.64 -2.22 120.40 119.38 2vwt s VAL 234 Ca 0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2vwt s VAL 234 Cb -0.17 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2vwt s VAL 234 CO -0.23 0.51 0.52 0.00 0.00 0.00 0.00 175.10 175.90 2vwt s ALA 235 N 1.21 3.50 -0.67 5.51 0.00 0.24 -0.77 121.76 130.77 2vwt s ALA 235 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2vwt s ALA 235 Cb -0.14 -2.66 0.19 0.00 0.00 0.00 0.00 23.12 20.51 2vwt s ALA 235 CO -0.09 0.10 1.11 1.33 0.00 0.00 0.00 175.76 178.22 2vwt n VAL 236 N 3.20 0.87 0.00 0.00 0.24 -0.41 -0.64 118.33 121.59 2vwt n VAL 236 Ca -0.07 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2vwt n VAL 236 Cb 0.51 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 2vwt n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vwt n GLY 237 N 0.22 0.34 3.24 7.63 0.00 -1.26 -4.56 105.19 110.80 2vwt n GLY 237 Ca 0.07 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 2vwt n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vwt s VAL 238 N -2.00 2.53 0.22 1.61 1.01 -1.26 -1.22 120.40 121.29 2vwt s VAL 238 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2vwt s VAL 238 Cb 0.00 -2.06 0.18 0.00 0.00 0.00 0.00 36.38 34.50 2vwt s VAL 238 CO 0.00 0.52 1.76 -2.24 0.00 0.00 0.00 175.10 175.14 2vwt h ASP 239 N 7.34 0.35 -0.48 3.32 2.03 -1.50 -0.72 116.42 126.77 2vwt h ASP 239 Ca -0.33 0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2vwt h ASP 239 Cb 1.19 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 2vwt h ASP 239 CO 0.57 0.19 0.30 0.71 -1.03 0.00 0.00 179.24 179.97 2vwt h THR 240 N 0.51 1.14 -0.15 1.15 1.35 -1.93 0.49 112.91 115.47 2vwt h THR 240 Ca 0.35 -0.32 -0.11 0.00 -0.55 0.00 0.00 66.41 65.78 2vwt h THR 240 Cb 0.43 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2vwt h THR 240 CO -0.31 0.15 -0.34 0.24 -0.25 0.00 0.00 175.52 175.01 2vwt h MET 241 N 0.68 0.50 -0.82 4.72 2.86 -1.59 -0.89 114.93 120.38 2vwt h MET 241 Ca 0.18 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2vwt h MET 241 Cb -0.02 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2vwt h MET 241 CO -0.03 0.94 0.54 -0.07 1.06 0.00 0.00 176.91 179.35 2vwt h LEU 242 N 0.12 0.94 0.67 1.22 3.38 -0.93 -0.89 115.31 119.81 2vwt h LEU 242 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2vwt h LEU 242 Cb 0.94 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2vwt h LEU 242 CO 0.07 0.67 -0.41 0.22 0.09 0.00 0.00 178.44 179.09 2vwt h TYR 243 N 1.10 -1.09 -0.65 1.13 3.20 -0.87 -1.36 116.97 118.44 2vwt h TYR 243 Ca 0.31 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 2vwt h TYR 243 Cb -0.11 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2vwt h TYR 243 CO -0.02 -0.62 0.43 0.77 -1.64 0.00 0.00 178.16 177.08 2vwt h SER 244 N -1.01 0.75 -0.84 -2.11 0.02 -1.01 -0.99 113.55 108.36 2vwt h SER 244 Ca -0.08 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2vwt h SER 244 Cb 0.82 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 2vwt h SER 244 CO 0.08 0.55 0.55 0.44 -1.14 0.00 0.00 176.83 177.32 2vwt h ASP 245 N 0.88 0.95 -0.12 3.07 3.32 -1.17 -0.83 116.42 122.52 2vwt h ASP 245 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2vwt h ASP 245 Cb -0.09 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 2vwt h ASP 245 CO -0.05 0.68 0.02 0.00 -1.72 0.00 0.00 179.24 178.17 2vwt h ALA 246 N 1.31 0.16 -0.56 3.45 0.00 -0.53 -0.36 119.26 122.74 2vwt h ALA 246 Ca 0.31 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2vwt h ALA 246 Cb -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 2vwt h ALA 246 CO -0.07 -0.18 0.01 -0.07 0.00 0.00 0.00 179.25 178.94 2vwt h LEU 247 N -0.03 -0.22 -0.50 0.00 4.07 -1.11 -1.40 115.31 116.12 2vwt h LEU 247 Ca 0.04 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2vwt h LEU 247 Cb 0.30 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2vwt h LEU 247 CO 0.00 -0.08 0.23 0.44 -1.08 0.00 0.00 178.44 177.95 2vwt h ASP 248 N 0.13 0.66 -0.69 -0.43 3.32 -0.95 -2.38 116.42 116.09 2vwt h ASP 248 Ca 0.29 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2vwt h ASP 248 Cb 0.45 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2vwt h ASP 248 CO -0.47 0.61 0.33 1.56 -1.72 0.00 0.00 179.24 179.56 2vwt h GLN 249 N 0.66 0.99 -0.23 3.56 4.20 -0.77 -1.10 115.11 122.42 2vwt h GLN 249 Ca 0.17 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2vwt h GLN 249 Cb 0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2vwt h GLN 249 CO -0.02 0.78 0.06 -0.09 -0.67 0.00 0.00 178.83 178.89 2vwt h ARG 250 N 0.96 0.38 -0.72 1.46 9.65 -1.26 -3.20 114.38 121.65 2vwt h ARG 250 Ca 0.24 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.00 2vwt h ARG 250 Cb 0.11 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2vwt h ARG 250 CO -0.03 0.48 0.34 1.25 2.80 0.00 0.00 179.97 184.81 2vwt h LEU 251 N 0.20 0.93 -2.37 3.80 5.85 -1.28 -2.73 115.31 119.71 2vwt h LEU 251 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2vwt h LEU 251 Cb 0.28 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2vwt h LEU 251 CO 0.00 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 2vwt h ALA 252 N 1.35 1.63 0.00 1.25 0.00 -1.19 -0.85 119.26 121.45 2vwt h ALA 252 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2vwt h ALA 252 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vwt h ALA 252 CO -0.03 -0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 2vwt n MET 253 N -4.00 0.18 0.00 0.00 2.81 -1.03 -3.19 117.12 111.89 2vwt n MET 253 Ca -0.03 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 2vwt n MET 253 Cb 0.09 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 2vwt n MET 253 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2vwt n PHE 254 N -2.25 0.00 -3.96 2.03 3.72 -0.33 -4.92 117.46 111.75 2vwt n PHE 254 Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 2vwt n PHE 254 Cb 0.17 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.56 2vwt n PHE 254 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2vwt s LYS 255 N -0.13 1.57 0.00 -1.08 -0.14 -1.17 -5.15 119.74 113.65 2vwt s LYS 255 Ca 0.01 -2.07 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 2vwt s LYS 255 Cb 0.00 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 2vwt s LYS 255 CO 0.01 -1.01 0.00 0.43 -0.76 0.00 0.00 175.35 174.02