#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrg s VAL 2 N 0.00 2.92 0.09 2.53 -7.23 -1.06 -5.03 120.40 112.62 1mrg s VAL 2 Ca 0.00 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1mrg s VAL 2 Cb 0.00 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1mrg s VAL 2 CO 0.00 0.03 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.25 1mrg s SER 3 N -2.36 1.68 -0.04 4.85 0.01 -1.26 -0.41 113.70 116.17 1mrg s SER 3 Ca 0.20 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1mrg s SER 3 Cb -0.10 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1mrg s SER 3 CO 0.12 -0.14 0.12 0.12 0.41 0.00 0.00 173.24 173.86 1mrg s PHE 4 N -1.75 -0.13 -0.13 2.43 5.36 -0.39 -4.85 117.98 118.53 1mrg s PHE 4 Ca 0.02 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 1mrg s PHE 4 Cb -0.07 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1mrg s PHE 4 CO 0.02 -0.07 -0.21 1.03 -1.46 0.00 0.00 175.22 174.53 1mrg s ARG 5 N 0.11 2.87 0.46 10.12 0.52 -1.26 -1.32 118.95 130.45 1mrg s ARG 5 Ca -0.00 -0.80 0.26 0.00 -0.52 0.00 0.00 55.73 54.66 1mrg s ARG 5 Cb -0.01 -2.31 0.87 0.00 0.52 0.00 0.00 34.95 34.02 1mrg s ARG 5 CO -0.00 0.01 1.80 -0.07 0.02 0.00 0.00 175.30 177.06 1mrg h LEU 6 N 7.24 0.00 -9.18 2.53 -0.00 -1.55 -3.35 115.31 111.00 1mrg h LEU 6 Ca -0.30 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.01 1mrg h LEU 6 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 1mrg h LEU 6 CO 0.53 0.16 0.86 -0.55 -0.00 0.00 0.00 178.44 179.44 1mrg s SER 7 N -6.08 6.97 0.00 -0.43 0.15 -1.26 -2.96 113.70 110.08 1mrg s SER 7 Ca 0.02 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1mrg s SER 7 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1mrg s SER 7 CO 0.63 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1mrg n GLY 8 N 3.55 1.60 3.74 9.45 0.00 -1.26 -4.99 105.19 117.28 1mrg n GLY 8 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1mrg n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrg n ALA 9 N -1.02 1.82 -2.80 4.61 0.00 -1.16 -4.99 120.51 116.98 1mrg n ALA 9 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 1mrg n ALA 9 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 1mrg n ALA 9 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1mrg s ASP 10 N -0.46 0.71 0.58 0.00 1.47 -1.26 -5.02 116.67 112.69 1mrg s ASP 10 Ca 0.60 -1.40 0.28 0.00 1.18 0.00 0.00 52.55 53.21 1mrg s ASP 10 Cb -0.47 0.60 1.57 0.00 -0.34 0.00 0.00 42.92 44.29 1mrg s ASP 10 CO 0.58 -1.19 2.04 -0.65 0.68 0.00 0.00 175.17 176.64 1mrg h PRO 11 N 2.20 0.00 -0.01 2.11 0.11 -1.95 -2.64 132.00 131.82 1mrg h PRO 11 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1mrg h PRO 11 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mrg h PRO 11 CO 0.40 0.00 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.03 1mrg h ARG 12 N 0.00 0.07 -0.36 1.05 1.12 -1.96 -2.56 114.38 111.75 1mrg h ARG 12 Ca 0.13 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.81 1mrg h ARG 12 Cb 0.69 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1mrg h ARG 12 CO -0.00 0.72 -0.31 0.66 -3.11 0.00 0.00 179.97 177.93 1mrg h SER 13 N -0.56 0.80 -0.00 -3.80 4.64 -1.86 -1.86 113.55 110.90 1mrg h SER 13 Ca -0.00 -0.32 0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1mrg h SER 13 Cb 0.73 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1mrg h SER 13 CO 0.01 1.05 -0.15 0.22 -0.87 0.00 0.00 176.83 177.09 1mrg h TYR 14 N 0.65 -0.39 -0.94 4.77 3.20 -1.59 0.70 116.97 123.37 1mrg h TYR 14 Ca 0.07 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1mrg h TYR 14 Cb 0.84 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 1mrg h TYR 14 CO 0.04 -0.22 0.60 0.78 -1.64 0.00 0.00 178.16 177.72 1mrg h GLY 15 N -0.25 1.39 0.84 1.82 0.00 -1.33 0.18 103.07 105.71 1mrg h GLY 15 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1mrg h GLY 15 CO -0.15 0.09 0.02 -0.33 0.00 0.00 0.00 176.54 176.17 1mrg h MET 16 N 0.79 0.38 -0.34 4.80 2.86 -0.46 -0.67 114.93 122.29 1mrg h MET 16 Ca 0.48 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 58.06 1mrg h MET 16 Cb 0.68 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 1mrg h MET 16 CO -0.24 0.55 0.02 0.35 1.06 0.00 0.00 176.91 178.65 1mrg h PHE 17 N 0.16 0.02 -0.57 -0.22 3.57 0.24 -0.84 116.94 119.30 1mrg h PHE 17 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1mrg h PHE 17 Cb 0.36 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1mrg h PHE 17 CO 0.03 -0.04 0.15 0.82 -2.23 0.00 0.00 178.31 177.04 1mrg h ILE 18 N 0.12 1.23 -0.12 1.41 1.08 -0.54 0.12 117.51 120.81 1mrg h ILE 18 Ca 0.16 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1mrg h ILE 18 Cb 0.21 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1mrg h ILE 18 CO -0.26 0.31 0.07 0.50 -0.69 0.00 0.00 178.15 178.09 1mrg h LYS 19 N 0.84 0.17 -0.34 2.37 1.63 -0.61 -0.98 116.57 119.65 1mrg h LYS 19 Ca 0.19 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 1mrg h LYS 19 Cb 0.29 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 1mrg h LYS 19 CO -0.00 0.16 -0.12 -0.44 -3.45 0.00 0.00 179.45 175.60 1mrg h ASP 20 N 0.12 -0.42 -0.20 4.20 5.19 -0.73 0.28 116.42 124.87 1mrg h ASP 20 Ca 0.04 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.61 1mrg h ASP 20 Cb 0.04 0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 1mrg h ASP 20 CO -0.01 -0.15 -0.08 0.25 -3.12 0.00 0.00 179.24 176.13 1mrg h LEU 21 N -0.05 -0.26 -0.31 1.55 5.85 -0.54 -0.62 115.31 120.93 1mrg h LEU 21 Ca 0.17 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1mrg h LEU 21 Cb 0.30 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1mrg h LEU 21 CO -0.38 -0.10 0.02 0.03 -0.34 0.00 0.00 178.44 177.67 1mrg h ARG 22 N -0.04 0.11 0.00 1.25 3.08 -0.81 -1.66 114.38 116.30 1mrg h ARG 22 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1mrg h ARG 22 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1mrg h ARG 22 CO -0.23 0.07 0.00 -0.91 -1.07 0.00 0.00 179.97 177.83 1mrg h ASN 23 N 0.11 0.00 1.92 7.04 -0.26 -0.55 -2.59 115.58 121.25 1mrg h ASN 23 Ca 0.15 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1mrg h ASN 23 Cb 0.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1mrg h ASN 23 CO -0.23 0.00 -0.08 0.00 -1.06 0.00 0.00 177.43 176.06 1mrg h ALA 24 N 2.01 0.96 -2.76 -0.83 0.00 -0.13 -3.44 119.26 115.07 1mrg h ALA 24 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.38 1mrg h ALA 24 Cb 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mrg h ALA 24 CO 0.00 0.03 0.47 -0.51 0.00 0.00 0.00 179.25 179.23 1mrg s LEU 25 N -6.17 4.54 0.47 0.00 1.43 -0.98 -5.03 118.68 112.94 1mrg s LEU 25 Ca 0.06 2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1mrg s LEU 25 Cb 0.05 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1mrg s LEU 25 CO 0.68 -0.14 0.75 -2.16 0.23 0.00 0.00 176.35 175.71 1mrg s PRO 26 N -1.11 3.39 0.10 1.29 0.04 -1.26 -5.05 135.00 132.40 1mrg s PRO 26 Ca 0.46 0.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.28 1mrg s PRO 26 Cb -0.31 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 31.86 1mrg s PRO 26 CO 0.38 -0.22 0.54 -0.59 0.04 0.00 0.00 177.00 177.15 1mrg s PHE 27 N -2.69 -0.45 -0.20 0.56 -0.71 -1.26 -3.66 117.98 109.58 1mrg s PHE 27 Ca 0.47 0.36 -0.14 0.00 -1.04 0.00 0.00 56.93 56.58 1mrg s PHE 27 Cb -0.10 0.41 -0.08 0.00 -1.21 0.00 0.00 43.02 42.04 1mrg s PHE 27 CO 0.43 -0.73 -0.32 -2.13 -1.34 0.00 0.00 175.22 171.13 1mrg n ARG 28 N 0.03 0.50 -3.11 1.99 3.00 -1.25 -5.00 116.66 112.83 1mrg n ARG 28 Ca -0.17 0.21 -0.19 0.00 -0.00 0.00 0.00 57.85 57.70 1mrg n ARG 28 Cb 0.62 -1.36 0.03 0.00 0.00 0.00 0.00 32.46 31.75 1mrg n ARG 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mrg s GLU 29 N -2.64 2.57 -0.12 -0.14 2.02 -1.26 -5.02 118.70 114.11 1mrg s GLU 29 Ca -0.30 -1.46 -0.01 0.00 0.02 0.00 0.00 54.97 53.22 1mrg s GLU 29 Cb 0.08 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.69 1mrg s GLU 29 CO 0.41 -0.51 -0.02 0.15 0.02 0.00 0.00 175.26 175.31 1mrg s LYS 30 N -4.45 0.99 -0.36 1.61 1.02 -1.26 -1.74 119.74 115.54 1mrg s LYS 30 Ca 0.56 -0.17 -0.19 0.00 0.02 0.00 0.00 55.97 56.19 1mrg s LYS 30 Cb -0.07 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 1mrg s LYS 30 CO 0.34 -0.37 0.57 0.08 -0.92 0.00 0.00 175.35 175.06 1mrg s VAL 31 N 1.83 4.95 -1.31 3.17 1.01 -0.34 -4.29 120.40 125.42 1mrg s VAL 31 Ca 0.03 0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1mrg s VAL 31 Cb -0.14 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1mrg s VAL 31 CO -0.07 -0.29 1.07 -1.22 0.00 0.00 0.00 175.10 174.59 1mrg n TYR 32 N 5.90 -2.65 -0.99 5.22 4.01 -1.26 -0.62 117.16 126.76 1mrg n TYR 32 Ca -0.03 0.92 0.00 0.00 -0.16 0.00 0.00 57.90 58.62 1mrg n TYR 32 Cb 0.49 -4.79 0.00 0.00 -0.31 0.00 0.00 39.34 34.72 1mrg n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1mrg n ASN 33 N -2.74 -5.42 -4.71 7.72 5.15 -1.26 -5.00 115.26 109.00 1mrg n ASN 33 Ca -0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 1mrg n ASN 33 Cb 0.56 -2.98 -0.08 0.00 -0.53 0.00 0.00 39.78 36.75 1mrg n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1mrg s ILE 34 N -1.17 5.18 -0.17 -1.44 1.01 0.21 -5.02 121.20 119.80 1mrg s ILE 34 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 1mrg s ILE 34 Cb 0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1mrg s ILE 34 CO 0.00 0.47 2.05 -2.84 0.00 0.00 0.00 174.94 174.62 1mrg s PRO 35 N 0.20 3.46 -0.18 2.79 0.02 -1.26 -1.20 135.00 138.83 1mrg s PRO 35 Ca 0.07 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 62.88 1mrg s PRO 35 Cb -0.12 -4.27 -0.00 0.00 0.02 0.00 0.00 34.50 30.13 1mrg s PRO 35 CO -0.01 -1.72 0.99 -1.17 -0.33 0.00 0.00 177.00 174.76 1mrg s LEU 36 N 6.91 4.16 0.39 -5.54 2.96 -0.71 -2.22 118.68 124.64 1mrg s LEU 36 Ca 0.93 1.38 -0.25 0.00 -0.22 0.00 0.00 54.13 55.97 1mrg s LEU 36 Cb -0.33 -3.48 -0.09 0.00 0.50 0.00 0.00 46.19 42.79 1mrg s LEU 36 CO 0.36 -0.55 1.12 -0.76 -1.32 0.00 0.00 176.35 175.20 1mrg s LEU 37 N 2.63 4.19 0.64 -0.68 1.43 0.12 -3.91 118.68 123.11 1mrg s LEU 37 Ca 0.44 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.60 1mrg s LEU 37 Cb -0.16 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1mrg s LEU 37 CO 0.11 -0.59 1.17 0.18 0.23 0.00 0.00 176.35 177.46 1mrg n LEU 38 N 0.08 5.20 0.09 1.79 4.77 -1.24 -3.93 117.00 123.76 1mrg n LEU 38 Ca 0.04 0.80 -0.05 0.00 -0.03 0.00 0.00 56.01 56.77 1mrg n LEU 38 Cb 0.47 -1.50 0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1mrg n LEU 38 CO 0.49 -1.33 0.41 1.55 -1.33 0.00 0.00 177.39 177.18 1mrg h PRO 39 N 0.43 0.18 -2.24 3.23 0.13 -1.93 -3.43 132.00 128.37 1mrg h PRO 39 Ca -0.50 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.42 1mrg h PRO 39 Cb 1.35 0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.30 1mrg h PRO 39 CO 0.52 0.80 0.04 0.45 -0.23 0.00 0.00 178.00 179.58 1mrg s SER 40 N -6.89 -0.61 0.00 1.44 0.15 -1.26 -4.80 113.70 101.74 1mrg s SER 40 Ca -0.03 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.57 1mrg s SER 40 Cb 0.12 0.94 -0.01 0.00 -1.71 0.00 0.00 66.02 65.36 1mrg s SER 40 CO 0.80 -0.37 0.02 -0.69 1.20 0.00 0.00 173.24 174.20 1mrg s VAL 41 N -0.33 0.06 -0.03 4.45 1.01 -1.26 -5.09 120.40 119.21 1mrg s VAL 41 Ca -0.05 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1mrg s VAL 41 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1mrg s VAL 41 CO 0.04 -0.25 -0.21 -0.44 0.00 0.00 0.00 175.10 174.24 1mrg s SER 42 N -0.76 2.51 0.00 3.32 0.01 -1.26 -4.63 113.70 112.88 1mrg s SER 42 Ca -0.08 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1mrg s SER 42 Cb -0.05 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1mrg s SER 42 CO -0.00 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1mrg n GLY 43 N 2.83 -1.44 0.23 3.44 0.00 -1.26 -4.16 105.19 104.84 1mrg n GLY 43 Ca -0.17 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.10 1mrg n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrg h ALA 44 N 0.00 1.24 0.00 4.61 0.00 -1.96 -3.04 119.26 120.11 1mrg h ALA 44 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mrg h ALA 44 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mrg h ALA 44 CO 0.00 0.26 0.00 0.78 0.00 0.00 0.00 179.25 180.29 1mrg h GLY 45 N 1.21 0.00 2.00 0.00 0.00 -1.96 -0.60 103.07 103.73 1mrg h GLY 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mrg h GLY 45 CO 0.03 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.48 1mrg h ARG 46 N 0.00 0.00 -5.54 4.80 2.43 -1.74 -3.44 114.38 110.88 1mrg h ARG 46 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 1mrg h ARG 46 Cb 0.14 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.44 1mrg h ARG 46 CO 0.00 0.00 -0.76 0.71 -1.51 0.00 0.00 179.97 178.41 1mrg s TYR 47 N -3.68 2.81 -0.07 2.20 2.02 -0.23 -1.22 117.35 119.16 1mrg s TYR 47 Ca 0.01 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1mrg s TYR 47 Cb 0.10 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1mrg s TYR 47 CO 0.49 -0.10 0.09 -1.17 -1.57 0.00 0.00 175.55 173.28 1mrg s LEU 48 N 0.10 4.05 -0.25 -1.29 2.96 0.64 -4.91 118.68 119.97 1mrg s LEU 48 Ca -0.05 0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1mrg s LEU 48 Cb -0.15 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1mrg s LEU 48 CO 0.04 0.36 0.03 -0.76 -1.32 0.00 0.00 176.35 174.70 1mrg s LEU 49 N -1.23 3.37 -0.07 -0.68 1.02 -1.26 0.30 118.68 120.13 1mrg s LEU 49 Ca 0.17 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.75 1mrg s LEU 49 Cb -0.12 -1.83 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1mrg s LEU 49 CO 0.07 -0.08 0.28 -0.04 0.02 0.00 0.00 176.35 176.60 1mrg s MET 50 N 1.52 3.74 -0.30 1.70 -1.94 1.00 -2.58 119.30 122.44 1mrg s MET 50 Ca 0.05 0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 54.12 1mrg s MET 50 Cb -0.16 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.48 1mrg s MET 50 CO 0.00 0.69 0.06 -1.01 -0.01 0.00 0.00 175.02 174.75 1mrg s HIS 51 N -0.91 3.17 -0.17 -0.03 0.09 0.46 0.13 115.29 118.03 1mrg s HIS 51 Ca 0.19 -1.24 -0.03 0.00 -0.00 0.00 0.00 55.06 53.98 1mrg s HIS 51 Cb -0.14 -2.22 -0.02 0.00 -0.00 0.00 0.00 32.58 30.20 1mrg s HIS 51 CO 0.08 -0.66 -0.06 -0.51 -0.00 0.00 0.00 174.74 173.60 1mrg s LEU 52 N 1.43 2.99 -0.13 0.89 1.02 -0.45 -1.26 118.68 123.19 1mrg s LEU 52 Ca 0.01 -0.27 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 1mrg s LEU 52 Cb -0.18 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.28 1mrg s LEU 52 CO 0.01 0.10 -0.08 -0.36 0.02 0.00 0.00 176.35 176.05 1mrg s PHE 53 N 0.74 2.91 0.84 0.29 0.40 -0.43 -1.52 117.98 121.20 1mrg s PHE 53 Ca -0.03 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 1mrg s PHE 53 Cb -0.15 -1.86 0.17 0.00 0.51 0.00 0.00 43.02 41.70 1mrg s PHE 53 CO 0.02 -0.02 1.15 0.54 0.70 0.00 0.00 175.22 177.60 1mrg s ASN 54 N 0.09 3.72 0.26 1.36 4.22 0.42 -1.68 114.94 123.33 1mrg s ASN 54 Ca -0.03 -0.17 -0.03 0.00 -2.14 0.00 0.00 52.86 50.49 1mrg s ASN 54 Cb -0.14 -0.01 0.44 0.00 1.28 0.00 0.00 41.25 42.82 1mrg s ASN 54 CO 0.04 -2.31 1.82 0.03 -2.04 0.00 0.00 177.10 174.64 1mrg h ARG 55 N -1.04 0.86 0.00 3.55 3.08 -1.88 0.35 114.38 119.29 1mrg h ARG 55 Ca -0.39 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1mrg h ARG 55 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1mrg h ARG 55 CO 0.37 0.57 0.00 -0.25 -1.07 0.00 0.00 179.97 179.59 1mrg n ASP 56 N -4.68 0.00 0.00 7.04 8.00 -1.26 -4.60 116.55 121.04 1mrg n ASP 56 Ca 0.15 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1mrg n ASP 56 Cb 0.29 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1mrg n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mrg n GLY 57 N 0.43 0.66 3.85 0.44 0.00 0.12 -5.04 105.19 105.65 1mrg n GLY 57 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1mrg n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrg s LYS 58 N -0.32 3.43 0.00 1.61 -0.14 -1.26 -4.70 119.74 118.37 1mrg s LYS 58 Ca 0.00 0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 55.42 1mrg s LYS 58 Cb 0.00 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.09 1mrg s LYS 58 CO 0.00 -0.70 0.05 -0.08 -0.76 0.00 0.00 175.35 173.85 1mrg s THR 59 N -3.07 0.07 0.14 2.17 -1.32 -1.26 -0.43 115.64 111.93 1mrg s THR 59 Ca 0.56 -0.54 0.10 0.00 -1.21 0.00 0.00 61.69 60.60 1mrg s THR 59 Cb -0.12 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1mrg s THR 59 CO 0.52 -0.30 -0.21 0.27 -2.21 0.00 0.00 174.62 172.69 1mrg s ILE 60 N -0.93 2.61 -0.22 5.08 -4.36 -0.58 -4.62 121.20 118.18 1mrg s ILE 60 Ca -0.10 -1.68 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 1mrg s ILE 60 Cb -0.06 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1mrg s ILE 60 CO 0.00 0.04 0.05 -0.89 0.24 0.00 0.00 174.94 174.39 1mrg s THR 61 N -1.25 4.32 -0.03 8.37 2.01 -0.83 -1.34 115.64 126.90 1mrg s THR 61 Ca 0.18 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1mrg s THR 61 Cb -0.10 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1mrg s THR 61 CO 0.09 0.38 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1mrg s VAL 62 N 1.23 4.59 -0.16 3.82 1.01 0.12 -0.89 120.40 130.13 1mrg s VAL 62 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1mrg s VAL 62 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1mrg s VAL 62 CO 0.03 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 1mrg s ALA 63 N -1.09 2.85 -0.05 5.51 0.00 -0.78 -0.00 121.76 128.20 1mrg s ALA 63 Ca 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1mrg s ALA 63 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1mrg s ALA 63 CO 0.10 0.11 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 1mrg s VAL 64 N 0.55 1.48 -0.34 0.00 1.01 0.15 0.92 120.40 124.17 1mrg s VAL 64 Ca -0.05 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1mrg s VAL 64 Cb -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1mrg s VAL 64 CO 0.03 0.42 0.99 -0.62 0.00 0.00 0.00 175.10 175.92 1mrg s ASP 65 N 0.05 6.79 0.00 3.32 -1.08 0.75 -0.26 116.67 126.24 1mrg s ASP 65 Ca -0.04 0.80 0.13 0.00 -0.52 0.00 0.00 52.55 52.92 1mrg s ASP 65 Cb -0.12 -2.50 0.70 0.00 -1.46 0.00 0.00 42.92 39.55 1mrg s ASP 65 CO 0.02 -0.86 1.32 1.33 0.52 0.00 0.00 175.17 177.50 1mrg n VAL 66 N 5.91 0.49 0.02 1.11 0.24 -0.36 0.12 118.33 125.86 1mrg n VAL 66 Ca 0.09 0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.49 1mrg n VAL 66 Cb 0.48 -0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 31.85 1mrg n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1mrg h THR 67 N 0.00 0.61 0.00 3.34 1.35 -1.85 -3.41 112.91 112.95 1mrg h THR 67 Ca 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1mrg h THR 67 Cb 0.09 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1mrg h THR 67 CO 0.00 0.35 0.00 -0.46 -0.25 0.00 0.00 175.52 175.16 1mrg n ASN 68 N -2.94 0.21 -4.08 5.36 0.23 -0.89 -4.65 115.26 108.50 1mrg n ASN 68 Ca -0.11 -1.07 -0.33 0.00 -0.53 0.00 0.00 54.58 52.54 1mrg n ASN 68 Cb 0.89 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.59 1mrg n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mrg n ILE 69 N -0.03 -1.53 -3.49 1.53 0.13 0.31 -4.99 119.36 111.29 1mrg n ILE 69 Ca 0.00 -0.02 -0.37 0.00 -1.10 0.00 0.00 62.75 61.26 1mrg n ILE 69 Cb 0.34 -2.24 -0.06 0.00 -0.84 0.00 0.00 39.64 36.84 1mrg n ILE 69 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 1mrg s TYR 70 N -3.30 3.60 0.12 9.51 1.51 -1.23 -4.75 117.35 122.81 1mrg s TYR 70 Ca 0.69 0.84 -0.31 0.00 -1.01 0.00 0.00 57.07 57.29 1mrg s TYR 70 Cb -0.37 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.07 1mrg s TYR 70 CO 0.88 0.43 1.30 0.42 -1.11 0.00 0.00 175.55 177.47 1mrg s ILE 71 N -0.28 3.56 -0.21 2.71 -1.09 -1.26 -0.18 121.20 124.44 1mrg s ILE 71 Ca 0.22 1.15 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 1mrg s ILE 71 Cb -0.15 -3.74 -0.20 0.00 -1.58 0.00 0.00 42.46 36.79 1mrg s ILE 71 CO 0.10 0.11 -0.03 0.23 -1.23 0.00 0.00 174.94 174.12 1mrg n MET 72 N 3.62 0.68 -3.08 2.79 2.81 0.26 -4.92 117.12 119.28 1mrg n MET 72 Ca 0.09 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1mrg n MET 72 Cb 0.44 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1mrg n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mrg n GLY 73 N 2.09 -1.11 3.60 3.03 0.00 -1.25 -2.54 105.19 109.02 1mrg n GLY 73 Ca -0.40 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1mrg n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mrg s TYR 74 N -3.00 0.18 -0.11 1.61 1.13 -0.52 -1.86 117.35 114.78 1mrg s TYR 74 Ca 0.00 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.13 1mrg s TYR 74 Cb 0.00 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 1mrg s TYR 74 CO 0.00 -1.00 -0.18 -1.17 -2.51 0.00 0.00 175.55 170.69 1mrg s LEU 75 N -2.97 1.86 -0.11 -3.49 2.96 -0.07 -0.66 118.68 116.20 1mrg s LEU 75 Ca 0.18 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1mrg s LEU 75 Cb -0.01 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.47 1mrg s LEU 75 CO 0.06 0.05 -0.21 0.00 -1.32 0.00 0.00 176.35 174.92 1mrg s ALA 76 N 0.86 2.28 0.00 5.97 0.00 -0.24 -1.96 121.76 128.68 1mrg s ALA 76 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1mrg s ALA 76 Cb -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1mrg s ALA 76 CO -0.00 0.27 0.00 -0.40 0.00 0.00 0.00 175.76 175.62 1mrg n ASP 77 N 3.55 0.00 -0.55 0.00 5.75 -1.26 -0.69 116.55 123.35 1mrg n ASP 77 Ca -0.19 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.64 1mrg n ASP 77 Cb 0.53 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.76 1mrg n ASP 77 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mrg n THR 78 N 0.00 1.20 -4.84 2.12 -2.24 -1.26 -4.95 114.28 104.31 1mrg n THR 78 Ca 0.00 -1.16 -0.29 0.00 -2.27 0.00 0.00 64.05 60.33 1mrg n THR 78 Cb 0.00 0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 68.44 1mrg n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mrg s THR 79 N -1.30 1.66 0.13 4.28 2.01 0.13 -0.22 115.64 122.33 1mrg s THR 79 Ca 0.22 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1mrg s THR 79 Cb 0.13 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1mrg s THR 79 CO 0.12 0.47 0.36 -0.94 -0.69 0.00 0.00 174.62 173.94 1mrg s SER 80 N 0.60 6.49 0.06 3.53 1.04 -0.37 -1.07 113.70 123.98 1mrg s SER 80 Ca -0.14 0.58 0.07 0.00 0.48 0.00 0.00 55.95 56.93 1mrg s SER 80 Cb -0.17 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 1mrg s SER 80 CO 0.05 0.07 -0.18 -0.31 0.98 0.00 0.00 173.24 173.85 1mrg s TYR 81 N -1.62 1.57 0.01 5.02 1.51 0.16 -1.08 117.35 122.92 1mrg s TYR 81 Ca 0.40 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1mrg s TYR 81 Cb -0.12 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1mrg s TYR 81 CO 0.24 0.11 0.04 -0.06 -1.11 0.00 0.00 175.55 174.77 1mrg s PHE 82 N -0.99 0.17 0.77 2.71 0.08 -0.59 -1.44 117.98 118.68 1mrg s PHE 82 Ca 0.04 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 1mrg s PHE 82 Cb -0.09 -0.13 0.06 0.00 -0.57 0.00 0.00 43.02 42.28 1mrg s PHE 82 CO 0.02 -0.22 1.10 -0.06 -0.10 0.00 0.00 175.22 175.97 1mrg s PHE 83 N -1.38 2.47 -1.04 0.36 0.08 -1.05 -0.40 117.98 117.01 1mrg s PHE 83 Ca -0.15 1.58 -0.13 0.00 0.12 0.00 0.00 56.93 58.35 1mrg s PHE 83 Cb -0.09 -3.12 0.21 0.00 -0.57 0.00 0.00 43.02 39.46 1mrg s PHE 83 CO 0.00 -1.91 1.12 1.21 -0.10 0.00 0.00 175.22 175.54 1mrg s ASN 84 N -3.12 7.02 0.02 1.36 2.47 0.53 -4.59 114.94 118.62 1mrg s ASN 84 Ca 0.63 -2.97 -0.28 0.00 0.42 0.00 0.00 52.86 50.66 1mrg s ASN 84 Cb -0.19 -2.29 0.08 0.00 -1.45 0.00 0.00 41.25 37.40 1mrg s ASN 84 CO 0.53 -0.60 0.73 -1.83 -3.72 0.00 0.00 177.10 172.21 1mrg s GLU 85 N 0.46 1.04 0.42 0.43 -1.05 -1.26 -3.61 118.70 115.12 1mrg s GLU 85 Ca 0.31 -0.12 0.08 0.00 -0.15 0.00 0.00 54.97 55.08 1mrg s GLU 85 Cb -0.07 0.48 0.88 0.00 -0.44 0.00 0.00 34.13 34.98 1mrg s GLU 85 CO -0.06 -0.40 2.06 -1.35 0.95 0.00 0.00 175.26 176.46 1mrg h PRO 86 N 2.40 0.51 -0.67 -4.83 0.11 -2.00 -2.30 132.00 125.20 1mrg h PRO 86 Ca -0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1mrg h PRO 86 Cb 1.22 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1mrg h PRO 86 CO 0.36 0.34 0.30 0.00 -0.21 0.00 0.00 178.00 178.78 1mrg h ALA 87 N 1.76 1.26 -0.05 -0.75 0.00 -1.98 -0.62 119.26 118.88 1mrg h ALA 87 Ca 0.14 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1mrg h ALA 87 Cb -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1mrg h ALA 87 CO -0.03 0.56 -0.87 0.00 0.00 0.00 0.00 179.25 178.90 1mrg h ALA 88 N 1.37 0.37 -0.50 0.00 0.00 -1.70 -0.28 119.26 118.51 1mrg h ALA 88 Ca 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1mrg h ALA 88 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mrg h ALA 88 CO -0.03 0.75 0.32 1.49 0.00 0.00 0.00 179.25 181.78 1mrg h GLU 89 N 0.33 0.66 -0.31 0.00 4.57 -1.26 -0.60 114.58 117.99 1mrg h GLU 89 Ca -0.07 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1mrg h GLU 89 Cb 1.50 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.90 1mrg h GLU 89 CO 0.16 0.46 0.03 1.25 -1.18 0.00 0.00 179.01 179.74 1mrg h LEU 90 N 0.67 -0.05 -1.04 1.64 7.12 -1.00 -2.11 115.31 120.54 1mrg h LEU 90 Ca 0.18 0.06 0.13 0.00 0.13 0.00 0.00 57.88 58.38 1mrg h LEU 90 Cb -0.04 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.09 1mrg h LEU 90 CO -0.04 0.01 0.62 0.00 -0.13 0.00 0.00 178.44 178.91 1mrg h ALA 91 N 1.25 1.58 0.00 1.25 0.00 -0.68 -2.03 119.26 120.63 1mrg h ALA 91 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mrg h ALA 91 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mrg h ALA 91 CO -0.22 0.15 0.15 0.66 0.00 0.00 0.00 179.25 180.00 1mrg h SER 92 N 0.93 0.00 1.01 0.00 4.64 -0.39 0.27 113.55 120.02 1mrg h SER 92 Ca 0.50 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.72 1mrg h SER 92 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1mrg h SER 92 CO -0.28 0.00 -0.51 1.56 -0.87 0.00 0.00 176.83 176.73 1mrg h GLN 93 N 0.00 0.00 0.00 4.77 4.20 -1.39 -3.38 115.11 119.30 1mrg h GLN 93 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1mrg h GLN 93 Cb 0.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1mrg h GLN 93 CO 0.00 0.51 -1.66 0.66 -0.67 0.00 0.00 178.83 177.67 1mrg n TYR 94 N -3.46 0.00 -4.31 2.96 4.01 0.88 -4.98 117.16 112.27 1mrg n TYR 94 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 1mrg n TYR 94 Cb 0.63 -0.47 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 1mrg n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1mrg s VAL 95 N -2.27 2.94 -1.45 -0.72 -7.23 -0.67 -4.76 120.40 106.24 1mrg s VAL 95 Ca -0.05 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1mrg s VAL 95 Cb 0.03 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.20 1mrg s VAL 95 CO 0.41 -0.28 0.20 0.49 -0.31 0.00 0.00 175.10 175.61 1mrg n PHE 96 N -0.92 -1.32 0.14 2.82 3.72 -1.26 -4.73 117.46 115.91 1mrg n PHE 96 Ca -0.05 0.48 0.06 0.00 -0.05 0.00 0.00 57.45 57.88 1mrg n PHE 96 Cb 0.61 -2.85 0.05 0.00 -0.94 0.00 0.00 39.48 36.35 1mrg n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mrg h ARG 97 N -2.02 0.00 -0.00 -1.08 2.47 -1.89 -3.00 114.38 108.87 1mrg h ARG 97 Ca -0.67 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 1mrg h ARG 97 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1mrg h ARG 97 CO 0.66 0.28 -0.00 -0.40 0.56 0.00 0.00 179.97 181.07 1mrg n ASP 98 N -3.09 0.09 -4.76 7.04 5.75 -1.26 -4.88 116.55 115.44 1mrg n ASP 98 Ca 0.01 -1.03 -0.38 0.00 -0.01 0.00 0.00 54.79 53.38 1mrg n ASP 98 Cb 0.67 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.77 1mrg n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mrg s ALA 99 N -2.00 2.91 -1.35 2.12 0.00 -1.14 -4.91 121.76 117.39 1mrg s ALA 99 Ca 0.47 1.11 0.30 0.00 0.00 0.00 0.00 51.96 53.83 1mrg s ALA 99 Cb 0.22 -3.46 1.39 0.00 0.00 0.00 0.00 23.12 21.27 1mrg s ALA 99 CO 0.37 -0.97 1.98 0.54 0.00 0.00 0.00 175.76 177.68 1mrg n ARG 100 N -0.72 0.36 -3.64 0.00 1.74 0.69 -4.82 116.66 110.26 1mrg n ARG 100 Ca 0.09 -0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 1mrg n ARG 100 Cb 0.47 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 1mrg n ARG 100 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1mrg s ARG 101 N -2.67 0.37 -0.14 5.56 3.52 -1.16 -5.02 118.95 119.41 1mrg s ARG 101 Ca 0.25 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 1mrg s ARG 101 Cb 0.20 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.75 1mrg s ARG 101 CO 0.49 -0.06 -0.15 0.21 -0.81 0.00 0.00 175.30 174.98 1mrg s LYS 102 N 0.59 2.32 -0.05 5.12 2.20 -1.26 -1.23 119.74 127.43 1mrg s LYS 102 Ca -0.01 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1mrg s LYS 102 Cb -0.04 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1mrg s LYS 102 CO -0.11 -0.18 -0.16 0.42 -0.36 0.00 0.00 175.35 174.96 1mrg s ILE 103 N 1.32 2.91 -0.15 5.43 1.01 -0.24 -4.99 121.20 126.49 1mrg s ILE 103 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1mrg s ILE 103 Cb -0.13 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1mrg s ILE 103 CO -0.08 0.59 0.01 -0.89 0.00 0.00 0.00 174.94 174.57 1mrg s THR 104 N -0.67 4.38 0.43 2.92 2.01 -1.26 -1.54 115.64 121.91 1mrg s THR 104 Ca 0.10 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 1mrg s THR 104 Cb -0.11 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1mrg s THR 104 CO 0.01 0.51 0.98 -0.76 -0.69 0.00 0.00 174.62 174.66 1mrg s LEU 105 N 0.07 3.98 0.00 4.42 1.43 0.47 -4.89 118.68 124.15 1mrg s LEU 105 Ca 0.03 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1mrg s LEU 105 Cb -0.13 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1mrg s LEU 105 CO 0.02 -0.45 0.43 -0.81 0.23 0.00 0.00 176.35 175.77 1mrg n PRO 106 N -0.55 0.58 -3.78 1.29 -0.04 -1.26 -3.67 135.00 127.57 1mrg n PRO 106 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1mrg n PRO 106 Cb 0.53 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1mrg n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1mrg s TYR 107 N -1.50 0.02 1.00 0.54 -0.85 -1.26 -4.95 117.35 110.35 1mrg s TYR 107 Ca 0.00 -0.40 -0.17 0.00 -0.52 0.00 0.00 57.07 55.99 1mrg s TYR 107 Cb 0.00 0.06 0.21 0.00 0.38 0.00 0.00 41.96 42.61 1mrg s TYR 107 CO 0.00 -0.60 1.29 -1.54 -1.52 0.00 0.00 175.55 173.19 1mrg s SER 108 N -2.81 2.76 -0.23 -0.18 1.04 -1.24 0.20 113.70 113.25 1mrg s SER 108 Ca 0.04 0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.92 1mrg s SER 108 Cb 0.04 -0.38 0.53 0.00 0.10 0.00 0.00 66.02 66.30 1mrg s SER 108 CO -0.11 -2.96 1.46 0.61 0.98 0.00 0.00 173.24 173.22 1mrg n GLY 109 N -3.34 4.36 3.91 7.32 0.00 -1.26 -4.46 105.19 111.71 1mrg n GLY 109 Ca 0.15 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1mrg n GLY 109 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mrg s ASP 110 N -2.12 6.36 0.28 1.61 1.47 -1.26 -4.94 116.67 118.07 1mrg s ASP 110 Ca 0.44 0.81 -0.03 0.00 1.18 0.00 0.00 52.55 54.95 1mrg s ASP 110 Cb 0.37 -2.19 0.39 0.00 -0.34 0.00 0.00 42.92 41.15 1mrg s ASP 110 CO 0.06 -0.40 1.93 1.88 0.68 0.00 0.00 175.17 179.32 1mrg h TYR 111 N 0.86 1.15 -0.22 2.11 0.05 -1.98 -1.45 116.97 117.49 1mrg h TYR 111 Ca -0.48 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.31 1mrg h TYR 111 Cb 1.20 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1mrg h TYR 111 CO 0.57 0.69 0.05 1.49 -1.05 0.00 0.00 178.16 179.91 1mrg h GLU 112 N 1.21 0.35 -0.38 4.88 4.81 -1.97 0.20 114.58 123.67 1mrg h GLU 112 Ca 0.36 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1mrg h GLU 112 Cb -0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1mrg h GLU 112 CO -0.10 0.46 -0.21 0.00 -0.73 0.00 0.00 179.01 178.43 1mrg h ARG 113 N 0.17 0.74 -0.29 1.92 2.47 -1.87 -2.58 114.38 114.95 1mrg h ARG 113 Ca 0.07 -0.29 -0.09 0.00 -1.26 0.00 0.00 59.98 58.41 1mrg h ARG 113 Cb 0.27 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1mrg h ARG 113 CO 0.00 0.89 -0.20 -0.07 0.56 0.00 0.00 179.97 181.16 1mrg h LEU 114 N 0.65 0.52 -0.14 3.04 3.38 -0.94 -1.90 115.31 119.92 1mrg h LEU 114 Ca 0.09 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1mrg h LEU 114 Cb 0.71 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1mrg h LEU 114 CO 0.05 0.73 -0.50 1.56 0.09 0.00 0.00 178.44 180.37 1mrg h GLN 115 N 0.47 0.59 -0.23 1.13 4.20 -0.49 -1.78 115.11 119.00 1mrg h GLN 115 Ca 0.08 -0.44 0.05 0.00 0.06 0.00 0.00 58.65 58.40 1mrg h GLN 115 Cb 0.61 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1mrg h GLN 115 CO 0.04 1.07 -0.13 0.82 -0.67 0.00 0.00 178.83 179.96 1mrg h ILE 116 N 0.23 0.61 -0.75 2.54 2.04 -1.45 -2.06 117.51 118.66 1mrg h ILE 116 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1mrg h ILE 116 Cb 1.13 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1mrg h ILE 116 CO 0.11 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.75 1mrg h ALA 117 N 1.07 1.54 0.00 1.87 0.00 -1.28 -2.31 119.26 120.15 1mrg h ALA 117 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mrg h ALA 117 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mrg h ALA 117 CO -0.30 0.38 -0.13 0.00 0.00 0.00 0.00 179.25 179.21 1mrg h ALA 118 N 1.56 0.92 0.00 0.00 0.00 -0.99 -3.45 119.26 117.30 1mrg h ALA 118 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1mrg h ALA 118 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mrg h ALA 118 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1mrg n GLY 119 N 1.23 2.91 3.36 0.00 0.00 -0.80 -4.86 105.19 107.03 1mrg n GLY 119 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1mrg n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrg s LYS 120 N -0.05 1.70 0.76 1.61 1.02 -1.22 -5.02 119.74 118.54 1mrg s LYS 120 Ca 0.00 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.70 1mrg s LYS 120 Cb 0.00 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 1mrg s LYS 120 CO 0.00 0.50 1.11 -1.25 -0.92 0.00 0.00 175.35 174.79 1mrg s PRO 121 N -1.48 2.39 0.47 -1.68 0.04 -1.26 -4.59 135.00 128.89 1mrg s PRO 121 Ca 0.13 0.47 0.13 0.00 0.04 0.00 0.00 61.00 61.76 1mrg s PRO 121 Cb -0.10 -1.97 1.10 0.00 0.04 0.00 0.00 34.50 33.57 1mrg s PRO 121 CO 0.03 -1.37 2.10 0.00 0.04 0.00 0.00 177.00 177.80 1mrg h ARG 122 N -0.90 0.19 0.00 4.56 3.08 -1.95 -1.97 114.38 117.39 1mrg h ARG 122 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1mrg h ARG 122 Cb 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1mrg h ARG 122 CO 0.62 0.15 0.04 0.39 -1.07 0.00 0.00 179.97 180.10 1mrg n GLU 123 N -4.50 0.11 -0.16 0.04 4.71 -1.26 -2.76 120.64 116.82 1mrg n GLU 123 Ca -0.01 0.60 0.06 0.00 -0.01 0.00 0.00 57.16 57.80 1mrg n GLU 123 Cb 0.09 -1.90 0.09 0.00 -1.01 0.00 0.00 31.44 28.71 1mrg n GLU 123 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1mrg n LYS 124 N -2.10 1.11 -3.96 3.49 5.02 -0.74 -4.59 118.16 116.40 1mrg n LYS 124 Ca -0.01 -2.01 -0.35 0.00 -2.02 0.00 0.00 58.31 53.92 1mrg n LYS 124 Cb 0.07 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1mrg n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mrg s ILE 125 N -1.89 3.00 0.24 -0.18 1.01 -1.11 -4.97 121.20 117.29 1mrg s ILE 125 Ca 0.20 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 1mrg s ILE 125 Cb 0.17 -2.41 -0.11 0.00 0.01 0.00 0.00 42.46 40.13 1mrg s ILE 125 CO 0.02 0.36 1.60 -2.84 0.00 0.00 0.00 174.94 174.08 1mrg s PRO 126 N 1.40 4.16 0.27 2.79 0.02 -1.26 -4.07 135.00 138.29 1mrg s PRO 126 Ca 0.04 2.51 0.10 0.00 0.02 0.00 0.00 61.00 63.68 1mrg s PRO 126 Cb -0.15 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 1mrg s PRO 126 CO -0.05 -0.63 -0.08 0.96 -0.33 0.00 0.00 177.00 176.86 1mrg s ILE 127 N 0.50 3.07 -3.25 2.83 -4.36 -0.89 -4.74 121.20 114.37 1mrg s ILE 127 Ca 0.67 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1mrg s ILE 127 Cb -0.47 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1mrg s ILE 127 CO 0.40 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.82 1mrg n GLY 128 N -0.74 -1.67 0.10 6.27 0.00 -1.26 -1.39 105.19 106.50 1mrg n GLY 128 Ca -0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1mrg n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mrg h LEU 129 N 0.00 0.24 -0.55 0.99 3.38 -1.52 -2.30 115.31 115.56 1mrg h LEU 129 Ca 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1mrg h LEU 129 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1mrg h LEU 129 CO 0.00 1.15 0.20 -0.65 0.09 0.00 0.00 178.44 179.23 1mrg h PRO 130 N 0.06 0.83 -0.74 1.13 0.11 -1.78 -2.50 132.00 129.11 1mrg h PRO 130 Ca -0.07 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 65.89 1mrg h PRO 130 Cb 1.78 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.72 1mrg h PRO 130 CO 0.16 0.74 0.49 0.00 -0.21 0.00 0.00 178.00 179.19 1mrg h ALA 131 N 1.05 1.48 -0.62 -0.75 0.00 -1.88 -2.22 119.26 116.33 1mrg h ALA 131 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1mrg h ALA 131 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mrg h ALA 131 CO -0.01 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.02 1mrg h LEU 132 N 0.99 1.01 -0.39 0.00 5.85 -1.26 0.26 115.31 121.78 1mrg h LEU 132 Ca 0.28 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1mrg h LEU 132 Cb -0.09 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1mrg h LEU 132 CO -0.06 1.03 0.23 -0.78 -0.34 0.00 0.00 178.44 178.51 1mrg h ASP 133 N 0.97 0.36 0.39 1.25 3.58 -1.08 -0.60 116.42 121.29 1mrg h ASP 133 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1mrg h ASP 133 Cb 0.48 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1mrg h ASP 133 CO 0.02 0.26 -0.27 -1.28 -2.88 0.00 0.00 179.24 175.09 1mrg h SER 134 N 0.46 -0.69 -0.69 2.28 0.87 -1.22 -2.06 113.55 112.49 1mrg h SER 134 Ca 0.16 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1mrg h SER 134 Cb 0.02 0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 1mrg h SER 134 CO -0.08 -0.41 -0.33 0.00 -0.53 0.00 0.00 176.83 175.48 1mrg h ALA 135 N -0.09 0.06 -0.39 6.23 0.00 -0.26 0.17 119.26 124.97 1mrg h ALA 135 Ca -0.04 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1mrg h ALA 135 Cb 0.54 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1mrg h ALA 135 CO 0.02 -0.64 0.06 0.82 0.00 0.00 0.00 179.25 179.52 1mrg h ILE 136 N -0.11 0.78 -0.64 0.00 2.04 -0.87 -1.01 117.51 117.71 1mrg h ILE 136 Ca 0.27 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.10 1mrg h ILE 136 Cb 0.56 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1mrg h ILE 136 CO -0.75 0.03 0.38 0.28 0.00 0.00 0.00 178.15 178.09 1mrg h SER 137 N 0.18 0.61 -0.53 1.72 0.02 -0.56 -2.46 113.55 112.53 1mrg h SER 137 Ca 0.19 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1mrg h SER 137 Cb 0.23 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1mrg h SER 137 CO -0.26 0.41 0.29 0.74 -1.14 0.00 0.00 176.83 176.88 1mrg h THR 138 N 0.74 1.00 0.00 -2.27 2.02 -0.66 -3.04 112.91 110.70 1mrg h THR 138 Ca 0.27 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1mrg h THR 138 Cb 0.07 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1mrg h THR 138 CO -0.13 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.80 1mrg h LEU 139 N 0.57 0.00 -0.91 2.58 3.38 -0.73 -2.95 115.31 117.26 1mrg h LEU 139 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1mrg h LEU 139 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1mrg h LEU 139 CO -0.13 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.33 1mrg h LEU 140 N 0.00 0.00 -7.49 1.67 3.38 -1.36 -3.40 115.31 108.11 1mrg h LEU 140 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1mrg h LEU 140 Cb 0.40 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.77 1mrg h LEU 140 CO 0.00 0.00 -0.78 -1.00 0.09 0.00 0.00 178.44 176.75 1mrg s HIS 141 N -3.49 1.20 0.00 1.13 0.09 -1.11 -4.87 115.29 108.24 1mrg s HIS 141 Ca 0.03 -0.73 -0.36 0.00 -0.00 0.00 0.00 55.06 54.01 1mrg s HIS 141 Cb 0.08 -1.08 -0.15 0.00 -0.00 0.00 0.00 32.58 31.43 1mrg s HIS 141 CO 0.59 -0.52 1.60 0.98 -0.00 0.00 0.00 174.74 177.38 1mrg n TYR 142 N 5.01 2.01 -3.28 1.40 9.36 -1.26 -4.94 117.16 125.46 1mrg n TYR 142 Ca -0.10 0.37 -0.01 0.00 3.32 0.00 0.00 57.90 61.49 1mrg n TYR 142 Cb 0.48 -2.49 -0.04 0.00 -0.63 0.00 0.00 39.34 36.67 1mrg n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1mrg s ASP 143 N 1.95 -0.86 0.39 2.98 -1.08 -1.26 -5.07 116.67 113.72 1mrg s ASP 143 Ca 0.87 0.78 0.19 0.00 -0.52 0.00 0.00 52.55 53.87 1mrg s ASP 143 Cb -0.84 1.85 0.80 0.00 -1.46 0.00 0.00 42.92 43.27 1mrg s ASP 143 CO 0.49 -0.27 1.80 0.77 0.52 0.00 0.00 175.17 178.48 1mrg h SER 144 N 8.06 0.00 0.02 -0.34 4.64 -1.98 0.15 113.55 124.10 1mrg h SER 144 Ca -0.21 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.87 1mrg h SER 144 Cb 1.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1mrg h SER 144 CO 0.24 0.34 -0.95 0.74 -0.87 0.00 0.00 176.83 176.33 1mrg h THR 145 N 0.00 1.32 -0.05 2.95 2.02 -1.98 -2.93 112.91 114.24 1mrg h THR 145 Ca -0.00 -2.23 -0.18 0.00 0.77 0.00 0.00 66.41 64.77 1mrg h THR 145 Cb 0.78 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1mrg h THR 145 CO 0.04 0.68 -0.73 0.00 0.37 0.00 0.00 175.52 175.88 1mrg h ALA 146 N 0.36 0.66 0.00 6.16 0.00 -1.85 -2.92 119.26 121.66 1mrg h ALA 146 Ca -0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1mrg h ALA 146 Cb 1.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1mrg h ALA 146 CO 0.19 0.79 -0.17 0.00 0.00 0.00 0.00 179.25 180.06 1mrg h ALA 147 N 1.03 1.38 -0.51 0.00 0.00 -0.78 -2.38 119.26 117.99 1mrg h ALA 147 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1mrg h ALA 147 Cb 1.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1mrg h ALA 147 CO 0.12 0.21 0.10 0.00 0.00 0.00 0.00 179.25 179.67 1mrg h ALA 148 N 1.83 0.68 -0.41 0.00 0.00 -1.31 -0.49 119.26 119.56 1mrg h ALA 148 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1mrg h ALA 148 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1mrg h ALA 148 CO 0.02 0.40 0.10 0.78 0.00 0.00 0.00 179.25 180.55 1mrg h GLY 149 N 0.72 0.71 0.94 0.00 0.00 -1.62 -1.83 103.07 101.99 1mrg h GLY 149 Ca 0.16 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.09 1mrg h GLY 149 CO 0.01 0.42 0.56 0.00 0.00 0.00 0.00 176.54 177.53 1mrg h ALA 150 N 0.95 1.53 0.00 3.60 0.00 -1.25 -2.29 119.26 121.80 1mrg h ALA 150 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1mrg h ALA 150 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1mrg h ALA 150 CO 0.00 0.36 -0.35 -0.07 0.00 0.00 0.00 179.25 179.19 1mrg h LEU 151 N 1.00 0.00 -1.23 0.00 3.38 -1.01 0.20 115.31 117.65 1mrg h LEU 151 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 1mrg h LEU 151 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1mrg h LEU 151 CO -0.13 0.35 -0.34 -0.07 0.09 0.00 0.00 178.44 178.35 1mrg h LEU 152 N 0.00 0.00 0.12 1.67 3.38 -0.80 -1.27 115.31 118.41 1mrg h LEU 152 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1mrg h LEU 152 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1mrg h LEU 152 CO 0.05 0.34 -1.66 0.58 0.09 0.00 0.00 178.44 177.84 1mrg h VAL 153 N 0.00 1.00 -0.09 1.22 2.07 -0.94 -3.21 116.25 116.30 1mrg h VAL 153 Ca -0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.84 1mrg h VAL 153 Cb 0.71 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1mrg h VAL 153 CO 0.04 0.80 0.02 0.25 0.02 0.00 0.00 177.57 178.71 1mrg h LEU 154 N 0.07 0.13 -0.51 2.57 5.85 -0.54 -2.26 115.31 120.61 1mrg h LEU 154 Ca -0.29 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.29 1mrg h LEU 154 Cb 2.03 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.96 1mrg h LEU 154 CO 0.14 0.32 0.15 0.40 -0.34 0.00 0.00 178.44 179.11 1mrg h ILE 155 N -0.06 0.78 -0.25 4.05 2.04 -1.37 -2.37 117.51 120.33 1mrg h ILE 155 Ca 0.03 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.60 1mrg h ILE 155 Cb 0.24 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1mrg h ILE 155 CO -0.00 0.06 -0.58 1.56 0.00 0.00 0.00 178.15 179.19 1mrg h GLN 156 N 0.31 0.80 0.00 2.37 4.20 -1.55 -0.38 115.11 120.86 1mrg h GLN 156 Ca 0.25 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1mrg h GLN 156 Cb 0.31 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1mrg h GLN 156 CO -0.29 1.15 0.00 0.25 -0.67 0.00 0.00 178.83 179.28 1mrg n THR 157 N -3.98 0.54 0.00 -0.54 -2.24 -0.86 -2.94 114.28 104.25 1mrg n THR 157 Ca -0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1mrg n THR 157 Cb 0.64 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1mrg n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mrg n THR 158 N -2.12 0.00 -0.03 4.28 -2.24 -0.91 -4.69 114.28 108.58 1mrg n THR 158 Ca 0.05 0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1mrg n THR 158 Cb 0.39 -0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 1mrg n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mrg h ALA 159 N -0.34 0.16 0.00 6.98 0.00 -1.30 -0.27 119.26 124.49 1mrg h ALA 159 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1mrg h ALA 159 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mrg h ALA 159 CO 0.00 -0.41 -0.35 0.93 0.00 0.00 0.00 179.25 179.42 1mrg h GLU 160 N 0.09 0.00 -0.22 0.00 4.39 -1.41 -2.58 114.58 114.85 1mrg h GLU 160 Ca 0.07 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.57 1mrg h GLU 160 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1mrg h GLU 160 CO -0.10 0.35 -0.66 0.00 -1.16 0.00 0.00 179.01 177.44 1mrg h ALA 161 N 1.65 0.42 -0.56 3.43 0.00 -1.39 -2.23 119.26 120.59 1mrg h ALA 161 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1mrg h ALA 161 Cb 0.68 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1mrg h ALA 161 CO 0.05 0.69 0.34 0.00 0.00 0.00 0.00 179.25 180.32 1mrg h ALA 162 N 0.66 0.72 -0.69 0.00 0.00 -0.98 -3.21 119.26 115.76 1mrg h ALA 162 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mrg h ALA 162 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1mrg h ALA 162 CO 0.14 0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.66 1mrg h ARG 163 N 0.67 1.06 -3.89 0.00 3.08 -1.35 -3.42 114.38 110.53 1mrg h ARG 163 Ca 0.22 -0.22 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 1mrg h ARG 163 Cb 0.01 -0.16 -0.35 0.00 0.08 0.00 0.00 29.97 29.55 1mrg h ARG 163 CO -0.09 0.91 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.89 1mrg s PHE 164 N -5.35 0.68 0.49 3.04 0.08 -0.85 -0.51 117.98 115.56 1mrg s PHE 164 Ca -0.11 -0.18 0.19 0.00 0.12 0.00 0.00 56.93 56.94 1mrg s PHE 164 Cb 0.15 -0.69 1.26 0.00 -0.57 0.00 0.00 43.02 43.18 1mrg s PHE 164 CO 0.83 -0.23 2.09 -0.22 -0.10 0.00 0.00 175.22 177.59 1mrg h LYS 165 N 7.56 0.00 -0.43 0.44 3.64 -1.29 -0.92 116.57 125.56 1mrg h LYS 165 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1mrg h LYS 165 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1mrg h LYS 165 CO 0.41 0.09 0.23 -0.92 -2.27 0.00 0.00 179.45 176.99 1mrg h TYR 166 N 0.00 0.60 -0.10 1.91 3.20 -1.89 -2.07 116.97 118.63 1mrg h TYR 166 Ca -0.00 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 1mrg h TYR 166 Cb 0.18 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1mrg h TYR 166 CO 0.00 0.47 -0.71 0.82 -1.64 0.00 0.00 178.16 177.10 1mrg h ILE 167 N 0.57 1.36 -0.80 1.81 2.04 -1.48 -1.15 117.51 119.86 1mrg h ILE 167 Ca 0.15 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 63.98 1mrg h ILE 167 Cb 0.07 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1mrg h ILE 167 CO -0.02 0.63 0.52 -0.08 0.00 0.00 0.00 178.15 179.20 1mrg h GLU 168 N 0.31 0.87 0.00 2.37 4.81 -1.29 -2.49 114.58 119.16 1mrg h GLU 168 Ca -0.03 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 1mrg h GLU 168 Cb 1.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1mrg h GLU 168 CO 0.13 0.57 -0.90 1.96 -0.73 0.00 0.00 179.01 180.04 1mrg h GLN 169 N 0.89 0.28 -1.00 1.92 4.20 -0.81 -2.26 115.11 118.34 1mrg h GLN 169 Ca 0.34 -0.30 0.18 0.00 0.06 0.00 0.00 58.65 58.92 1mrg h GLN 169 Cb 0.18 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 1mrg h GLN 169 CO -0.11 1.01 0.62 1.96 -0.67 0.00 0.00 178.83 181.64 1mrg h GLN 170 N 0.16 0.77 0.01 1.46 1.08 -0.80 -1.72 115.11 116.07 1mrg h GLN 170 Ca -0.06 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 56.88 1mrg h GLN 170 Cb 1.53 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.76 1mrg h GLN 170 CO 0.15 0.51 -1.00 0.82 -0.95 0.00 0.00 178.83 178.35 1mrg h ILE 171 N 0.80 1.70 -0.39 2.54 1.08 -1.12 -2.78 117.51 119.33 1mrg h ILE 171 Ca 0.56 -3.36 -0.11 0.00 -0.39 0.00 0.00 64.86 61.56 1mrg h ILE 171 Cb 0.84 2.83 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 1mrg h ILE 171 CO -0.36 0.96 -0.19 1.56 -0.69 0.00 0.00 178.15 179.43 1mrg h GLN 172 N 0.01 0.74 -0.12 2.37 4.20 -1.16 -0.68 115.11 120.46 1mrg h GLN 172 Ca -0.02 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.45 1mrg h GLN 172 Cb 1.76 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.49 1mrg h GLN 172 CO 0.13 0.88 0.12 0.93 -0.67 0.00 0.00 178.83 180.22 1mrg h GLU 173 N 0.65 0.00 -0.43 1.46 5.08 -1.31 -2.97 114.58 117.06 1mrg h GLU 173 Ca 0.10 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.23 1mrg h GLU 173 Cb 0.68 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.79 1mrg h GLU 173 CO 0.05 0.00 -0.01 0.54 -1.00 0.00 0.00 179.01 178.59 1mrg n ARG 174 N -4.03 1.90 0.28 2.33 1.74 -0.30 -4.69 116.66 113.88 1mrg n ARG 174 Ca 0.00 -3.20 0.17 0.00 -0.77 0.00 0.00 57.85 54.05 1mrg n ARG 174 Cb 0.23 -1.87 0.68 0.00 -1.02 0.00 0.00 32.46 30.48 1mrg n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mrg h ALA 175 N 1.02 1.00 0.00 7.54 0.00 -1.28 -1.58 119.26 125.97 1mrg h ALA 175 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1mrg h ALA 175 Cb 1.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1mrg h ALA 175 CO 0.48 0.01 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1mrg n TYR 176 N -3.10 0.00 -3.64 0.00 4.01 -1.26 -4.47 117.16 108.70 1mrg n TYR 176 Ca 0.01 -0.23 -0.10 0.00 -0.16 0.00 0.00 57.90 57.42 1mrg n TYR 176 Cb 0.31 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.25 1mrg n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1mrg s ARG 177 N -0.46 0.75 0.40 -0.72 3.52 -1.24 -4.96 118.95 116.24 1mrg s ARG 177 Ca 0.00 1.12 -0.05 0.00 -0.13 0.00 0.00 55.73 56.67 1mrg s ARG 177 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 1mrg s ARG 177 CO 0.00 -0.13 0.68 -0.51 -0.81 0.00 0.00 175.30 174.53 1mrg s ASP 178 N 1.12 6.34 -0.02 -2.12 1.01 -1.26 -4.39 116.67 117.35 1mrg s ASP 178 Ca -0.06 0.80 -0.24 0.00 0.71 0.00 0.00 52.55 53.77 1mrg s ASP 178 Cb -0.05 -2.19 0.05 0.00 1.01 0.00 0.00 42.92 41.74 1mrg s ASP 178 CO -0.11 -0.41 0.52 -0.70 0.21 0.00 0.00 175.17 174.68 1mrg s GLU 179 N -4.29 0.93 0.66 8.23 2.12 -0.49 -4.86 118.70 121.00 1mrg s GLU 179 Ca 0.45 0.00 -0.16 0.00 0.36 0.00 0.00 54.97 55.63 1mrg s GLU 179 Cb -0.10 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1mrg s GLU 179 CO 0.38 -0.29 1.18 0.14 -0.54 0.00 0.00 175.26 176.13 1mrg s VAL 180 N -1.51 2.69 0.62 3.70 -7.23 -1.26 -2.09 120.40 115.31 1mrg s VAL 180 Ca -0.11 0.36 -0.18 0.00 -1.81 0.00 0.00 61.98 60.24 1mrg s VAL 180 Cb -0.02 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1mrg s VAL 180 CO 0.06 -0.16 1.24 -2.16 -0.31 0.00 0.00 175.10 173.77 1mrg s PRO 181 N -3.76 2.81 0.78 4.82 0.04 -1.26 -4.80 135.00 133.63 1mrg s PRO 181 Ca 0.73 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 63.57 1mrg s PRO 181 Cb -0.27 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.44 1mrg s PRO 181 CO 0.40 -1.36 1.09 -1.54 0.04 0.00 0.00 177.00 175.63 1mrg s SER 182 N -1.53 4.41 0.23 6.66 1.04 -1.26 -4.90 113.70 118.35 1mrg s SER 182 Ca 0.79 1.83 -0.06 0.00 0.48 0.00 0.00 55.95 58.99 1mrg s SER 182 Cb -0.33 -2.51 0.33 0.00 0.10 0.00 0.00 66.02 63.61 1mrg s SER 182 CO 0.36 -2.09 1.81 -0.07 0.98 0.00 0.00 173.24 174.22 1mrg h LEU 183 N -1.17 0.62 -0.39 2.42 4.07 -1.96 -1.34 115.31 117.57 1mrg h LEU 183 Ca -0.44 0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.65 1mrg h LEU 183 Cb 1.23 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 42.82 1mrg h LEU 183 CO 0.51 0.37 -0.12 0.00 -1.08 0.00 0.00 178.44 178.12 1mrg h ALA 184 N 1.41 0.22 -0.07 1.53 0.00 -1.91 0.21 119.26 120.66 1mrg h ALA 184 Ca 0.36 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1mrg h ALA 184 Cb 0.29 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1mrg h ALA 184 CO -0.22 -0.48 -0.15 1.15 0.00 0.00 0.00 179.25 179.55 1mrg h THR 185 N -0.03 0.62 -0.94 0.00 2.02 -1.66 0.14 112.91 113.06 1mrg h THR 185 Ca 0.19 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.40 1mrg h THR 185 Cb 0.33 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1mrg h THR 185 CO -0.43 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.49 1mrg h ILE 186 N -0.21 1.20 0.03 3.11 1.08 -1.01 -1.67 117.51 120.04 1mrg h ILE 186 Ca 0.07 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1mrg h ILE 186 Cb 0.31 -0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.89 1mrg h ILE 186 CO -0.19 0.23 -0.15 -1.28 -0.69 0.00 0.00 178.15 176.06 1mrg h SER 187 N 1.23 -0.42 -0.44 1.72 0.87 0.14 -2.44 113.55 114.21 1mrg h SER 187 Ca 0.36 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1mrg h SER 187 Cb -0.07 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1mrg h SER 187 CO -0.09 -0.21 0.29 -0.07 -0.53 0.00 0.00 176.83 176.22 1mrg h LEU 188 N -0.26 0.50 -0.77 2.23 4.07 -0.32 -2.06 115.31 118.70 1mrg h LEU 188 Ca 0.04 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.04 1mrg h LEU 188 Cb 0.31 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 1mrg h LEU 188 CO -0.12 0.36 0.47 -0.33 -1.08 0.00 0.00 178.44 177.74 1mrg h GLU 189 N 0.59 0.86 0.00 1.13 5.08 -1.16 -1.96 114.58 119.12 1mrg h GLU 189 Ca 0.16 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1mrg h GLU 189 Cb -0.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1mrg h GLU 189 CO -0.04 0.57 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.27 1mrg h ASN 190 N 0.88 0.00 -0.30 1.42 2.35 -1.26 -3.30 115.58 115.38 1mrg h ASN 190 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1mrg h ASN 190 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1mrg h ASN 190 CO -0.15 0.36 0.00 -1.20 -1.65 0.00 0.00 177.43 174.79 1mrg n SER 191 N -3.55 2.60 -0.14 5.81 7.64 -0.75 -4.48 113.62 120.76 1mrg n SER 191 Ca -0.00 -1.87 -0.08 0.00 1.01 0.00 0.00 58.87 57.93 1mrg n SER 191 Cb 0.50 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.51 1mrg n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1mrg h TRP 192 N 3.36 0.54 0.38 1.43 7.01 -1.60 0.79 115.95 127.86 1mrg h TRP 192 Ca 0.00 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1mrg h TRP 192 Cb 0.74 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1mrg h TRP 192 CO 0.19 0.34 -0.18 1.03 -2.79 0.00 0.00 178.44 177.03 1mrg h SER 193 N 0.59 -0.43 -0.24 2.65 0.87 -1.87 -0.55 113.55 114.57 1mrg h SER 193 Ca 0.16 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1mrg h SER 193 Cb -0.07 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1mrg h SER 193 CO -0.04 -0.24 0.14 1.23 -0.53 0.00 0.00 176.83 177.39 1mrg h GLY 194 N -0.59 0.36 0.25 5.77 0.00 -1.74 -1.96 103.07 105.16 1mrg h GLY 194 Ca -0.05 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1mrg h GLY 194 CO 0.08 0.15 -0.05 1.41 0.00 0.00 0.00 176.54 178.13 1mrg h LEU 195 N 0.29 -0.28 -1.27 3.11 3.38 -0.88 -0.10 115.31 119.56 1mrg h LEU 195 Ca 0.09 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1mrg h LEU 195 Cb 0.04 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1mrg h LEU 195 CO -0.02 -0.10 0.56 0.28 0.09 0.00 0.00 178.44 179.26 1mrg h SER 196 N 0.05 0.70 0.13 -0.43 0.02 -0.88 -1.89 113.55 111.25 1mrg h SER 196 Ca 0.20 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1mrg h SER 196 Cb 0.30 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1mrg h SER 196 CO -0.38 0.38 -0.06 0.50 -1.14 0.00 0.00 176.83 176.13 1mrg h LYS 197 N 0.76 -0.17 -0.68 3.45 3.64 -0.51 -2.75 116.57 120.31 1mrg h LYS 197 Ca 0.42 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1mrg h LYS 197 Cb 0.57 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1mrg h LYS 197 CO -0.19 0.27 0.24 1.96 -2.27 0.00 0.00 179.45 179.46 1mrg h GLN 198 N -0.69 1.04 -0.89 1.90 1.08 -1.00 0.25 115.11 116.80 1mrg h GLN 198 Ca -0.02 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1mrg h GLN 198 Cb 0.51 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1mrg h GLN 198 CO 0.03 0.88 0.58 0.82 -0.95 0.00 0.00 178.83 180.19 1mrg h ILE 199 N 0.98 1.08 -0.02 2.54 2.04 -1.45 -1.53 117.51 121.15 1mrg h ILE 199 Ca 0.22 -0.35 -0.23 0.00 1.00 0.00 0.00 64.86 65.50 1mrg h ILE 199 Cb 0.25 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1mrg h ILE 199 CO -0.01 0.19 -0.92 1.56 0.00 0.00 0.00 178.15 178.96 1mrg h GLN 200 N 1.03 0.51 0.00 2.37 4.20 -0.72 -3.05 115.11 119.46 1mrg h GLN 200 Ca 0.38 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1mrg h GLN 200 Cb 0.17 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1mrg h GLN 200 CO -0.14 1.15 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.89 1mrg h LEU 201 N 0.30 0.00 -1.19 1.46 4.07 -0.97 -3.21 115.31 115.77 1mrg h LEU 201 Ca -0.08 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1mrg h LEU 201 Cb 1.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.28 1mrg h LEU 201 CO 0.17 0.22 -0.36 0.00 -1.08 0.00 0.00 178.44 177.38 1mrg h ALA 202 N 1.78 1.33 -2.52 1.53 0.00 -1.16 -3.37 119.26 116.85 1mrg h ALA 202 Ca -0.00 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 1mrg h ALA 202 Cb 0.62 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.39 1mrg h ALA 202 CO 0.03 0.49 1.00 1.04 0.00 0.00 0.00 179.25 181.81 1mrg n GLN 203 N -4.09 2.65 -0.98 0.00 6.02 -1.21 0.17 117.38 119.94 1mrg n GLN 203 Ca -0.02 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 1mrg n GLN 203 Cb 0.41 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 28.87 1mrg n GLN 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mrg n GLY 204 N 3.96 0.47 0.47 1.08 0.00 -1.26 -4.80 105.19 105.09 1mrg n GLY 204 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1mrg n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mrg n ASN 205 N -0.18 1.46 -1.77 1.61 4.05 0.13 -5.00 115.26 115.55 1mrg n ASN 205 Ca 0.00 -2.85 -0.14 0.00 0.45 0.00 0.00 54.58 52.04 1mrg n ASN 205 Cb 0.09 -0.38 0.01 0.00 1.23 0.00 0.00 39.78 40.73 1mrg n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mrg n ASN 206 N -0.77 -4.37 -0.07 1.20 3.02 -0.99 -2.55 115.26 110.73 1mrg n ASN 206 Ca 0.11 -0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1mrg n ASN 206 Cb 0.73 -3.41 -0.00 0.00 -0.61 0.00 0.00 39.78 36.49 1mrg n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrg n GLY 207 N -1.12 0.48 3.88 7.41 0.00 -0.39 -4.94 105.19 110.51 1mrg n GLY 207 Ca -0.12 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1mrg n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mrg s ILE 208 N -1.90 5.42 0.02 -0.61 1.01 -1.06 -0.38 121.20 123.70 1mrg s ILE 208 Ca 0.00 0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.69 1mrg s ILE 208 Cb 0.00 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 1mrg s ILE 208 CO 0.00 0.54 0.57 -0.36 0.00 0.00 0.00 174.94 175.69 1mrg s PHE 209 N -1.11 3.72 0.15 3.97 0.40 -0.17 -4.06 117.98 120.88 1mrg s PHE 209 Ca 0.19 1.20 -0.12 0.00 -0.60 0.00 0.00 56.93 57.60 1mrg s PHE 209 Cb -0.13 -2.55 0.01 0.00 0.51 0.00 0.00 43.02 40.86 1mrg s PHE 209 CO 0.09 0.44 1.58 0.00 0.70 0.00 0.00 175.22 178.02 1mrg h ARG 210 N 5.26 0.91 -4.65 0.44 2.47 -1.88 -3.41 114.38 113.53 1mrg h ARG 210 Ca -0.47 -0.33 -0.57 0.00 -1.26 0.00 0.00 59.98 57.35 1mrg h ARG 210 Cb 1.21 -0.06 -0.35 0.00 -1.65 0.00 0.00 29.97 29.12 1mrg h ARG 210 CO 0.67 0.98 -0.83 0.99 0.56 0.00 0.00 179.97 182.35 1mrg s THR 211 N -4.87 1.39 0.33 2.04 2.01 -1.26 -5.13 115.64 110.14 1mrg s THR 211 Ca -0.12 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1mrg s THR 211 Cb 0.12 -1.28 -0.12 0.00 0.01 0.00 0.00 72.50 71.22 1mrg s THR 211 CO 0.84 0.42 1.39 -2.65 -0.69 0.00 0.00 174.62 173.93 1mrg n PRO 212 N 4.25 2.31 -3.80 4.92 -0.02 -1.26 -4.95 135.00 136.45 1mrg n PRO 212 Ca -0.19 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 1mrg n PRO 212 Cb 0.51 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 1mrg n PRO 212 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mrg s ILE 213 N -0.81 4.67 -0.30 4.25 -1.09 -0.87 -4.96 121.20 122.10 1mrg s ILE 213 Ca 0.58 -0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.83 1mrg s ILE 213 Cb -0.55 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1mrg s ILE 213 CO 0.59 0.36 0.19 0.54 -1.23 0.00 0.00 174.94 175.39 1mrg s VAL 214 N 1.26 5.15 -0.01 2.92 0.11 -1.26 0.61 120.40 129.17 1mrg s VAL 214 Ca 0.05 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1mrg s VAL 214 Cb -0.14 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1mrg s VAL 214 CO 0.04 0.16 0.04 -0.76 -3.33 0.00 0.00 175.10 171.25 1mrg s LEU 215 N 1.72 3.71 -0.08 2.54 1.43 0.23 -4.94 118.68 123.29 1mrg s LEU 215 Ca 0.06 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 1mrg s LEU 215 Cb -0.16 -2.11 -0.24 0.00 0.03 0.00 0.00 46.19 43.71 1mrg s LEU 215 CO 0.10 0.29 0.99 0.58 0.23 0.00 0.00 176.35 178.54 1mrg h VAL 216 N 3.47 1.60 0.00 -1.59 2.07 -1.88 1.35 116.25 121.27 1mrg h VAL 216 Ca -0.49 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1mrg h VAL 216 Cb 1.18 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1mrg h VAL 216 CO 0.59 0.50 0.00 -0.67 0.02 0.00 0.00 177.57 178.01 1mrg n ASP 217 N -4.64 0.00 -3.61 0.57 2.03 -1.26 -3.12 116.55 106.52 1mrg n ASP 217 Ca -0.10 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 1mrg n ASP 217 Cb 0.43 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1mrg n ASP 217 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1mrg n ASN 218 N -1.86 6.53 -2.75 1.67 5.15 -1.26 -3.07 115.26 119.66 1mrg n ASN 218 Ca 0.00 -2.96 -0.04 0.00 -0.60 0.00 0.00 54.58 50.98 1mrg n ASN 218 Cb 0.00 -1.49 0.06 0.00 -0.53 0.00 0.00 39.78 37.81 1mrg n ASN 218 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1mrg n LYS 219 N 3.56 1.45 0.00 1.20 4.81 -1.18 -5.03 118.16 122.97 1mrg n LYS 219 Ca 0.57 -3.08 0.00 0.00 -0.87 0.00 0.00 58.31 54.93 1mrg n LYS 219 Cb 0.30 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1mrg n LYS 219 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mrg n GLY 220 N -0.50 0.53 3.64 3.14 0.00 -1.17 -4.20 105.19 106.62 1mrg n GLY 220 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1mrg n GLY 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrg s ASN 221 N 0.00 -0.56 -0.05 1.61 2.47 -1.24 -4.88 114.94 112.30 1mrg s ASN 221 Ca 0.00 1.05 -0.00 0.00 0.42 0.00 0.00 52.86 54.33 1mrg s ASN 221 Cb 0.00 1.08 0.00 0.00 -1.45 0.00 0.00 41.25 40.88 1mrg s ASN 221 CO 0.00 -0.18 0.05 0.54 -3.72 0.00 0.00 177.10 173.79 1mrg n ARG 222 N 2.49 -0.11 -3.85 0.43 5.12 -1.18 -4.94 116.66 114.63 1mrg n ARG 222 Ca -0.13 0.58 -0.21 0.00 -1.93 0.00 0.00 57.85 56.16 1mrg n ARG 222 Cb 0.56 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 1mrg n ARG 222 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1mrg s VAL 223 N -2.75 4.69 -0.13 1.55 1.01 0.46 -4.96 120.40 120.27 1mrg s VAL 223 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1mrg s VAL 223 Cb -0.00 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1mrg s VAL 223 CO 0.06 -0.28 0.09 -1.58 0.00 0.00 0.00 175.10 173.39 1mrg s GLN 224 N -4.01 0.03 -0.09 2.72 0.74 -1.26 -0.60 119.66 117.19 1mrg s GLN 224 Ca 0.37 0.09 -0.23 0.00 0.05 0.00 0.00 55.36 55.64 1mrg s GLN 224 Cb -0.09 -1.38 -0.03 0.00 1.10 0.00 0.00 33.01 32.61 1mrg s GLN 224 CO 0.29 -0.56 0.69 0.42 -0.55 0.00 0.00 175.29 175.58 1mrg s ILE 225 N 2.16 5.04 -0.01 -2.34 -1.09 0.20 -4.93 121.20 120.23 1mrg s ILE 225 Ca 0.03 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1mrg s ILE 225 Cb -0.15 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1mrg s ILE 225 CO -0.07 0.22 0.01 0.41 -1.23 0.00 0.00 174.94 174.28 1mrg n THR 226 N 3.94 0.05 -3.95 2.92 -1.04 -1.26 -2.04 114.28 112.89 1mrg n THR 226 Ca -0.01 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.88 1mrg n THR 226 Cb 0.51 -0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 1mrg n THR 226 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1mrg s ASN 227 N -2.84 -0.13 0.00 8.00 2.20 -1.26 -1.00 114.94 119.91 1mrg s ASN 227 Ca -0.00 -0.84 0.27 0.00 -0.94 0.00 0.00 52.86 51.35 1mrg s ASN 227 Cb 0.00 0.61 1.52 0.00 -2.00 0.00 0.00 41.25 41.38 1mrg s ASN 227 CO 0.04 -1.17 1.96 1.33 -2.94 0.00 0.00 177.10 176.31 1mrg n VAL 228 N -0.39 0.06 1.27 3.54 0.24 0.49 -2.57 118.33 120.98 1mrg n VAL 228 Ca -0.03 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.42 1mrg n VAL 228 Cb 0.61 -0.58 0.43 0.00 -1.47 0.00 0.00 33.84 32.83 1mrg n VAL 228 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1mrg n THR 229 N -1.12 0.00 -1.61 3.34 -2.24 -1.26 -4.29 114.28 107.09 1mrg n THR 229 Ca 0.17 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1mrg n THR 229 Cb 0.15 0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1mrg n THR 229 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1mrg n SER 230 N -0.76 1.26 0.19 3.42 2.88 -1.06 -4.66 113.62 114.89 1mrg n SER 230 Ca 0.12 1.01 0.05 0.00 -1.33 0.00 0.00 58.87 58.73 1mrg n SER 230 Cb 0.33 -1.36 0.50 0.00 -0.75 0.00 0.00 64.21 62.93 1mrg n SER 230 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1mrg h LYS 231 N 1.46 0.09 -0.03 -1.46 2.10 -1.92 0.40 116.57 117.22 1mrg h LYS 231 Ca -0.45 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1mrg h LYS 231 Cb 1.34 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1mrg h LYS 231 CO 0.56 0.19 0.02 -0.24 -2.00 0.00 0.00 179.45 177.99 1mrg h VAL 232 N 0.08 0.89 0.05 0.07 3.04 -1.95 0.61 116.25 119.05 1mrg h VAL 232 Ca 0.02 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.45 1mrg h VAL 232 Cb 0.24 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1mrg h VAL 232 CO 0.01 0.00 -1.42 0.58 -1.01 0.00 0.00 177.57 175.73 1mrg h VAL 233 N 0.00 0.89 -0.03 1.51 2.07 -1.29 0.17 116.25 119.56 1mrg h VAL 233 Ca 0.01 -2.25 -0.12 0.00 0.82 0.00 0.00 66.70 65.16 1mrg h VAL 233 Cb 0.05 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1mrg h VAL 233 CO -0.00 0.52 -0.52 0.71 0.02 0.00 0.00 177.57 178.30 1mrg h THR 234 N -0.64 1.37 0.00 2.57 1.35 -0.87 -3.40 112.91 113.29 1mrg h THR 234 Ca -0.35 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1mrg h THR 234 Cb 1.54 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1mrg h THR 234 CO -0.09 0.52 -0.67 -1.54 -0.25 0.00 0.00 175.52 173.49 1mrg n SER 235 N -3.93 3.34 -0.00 5.36 3.41 0.17 -4.99 113.62 116.97 1mrg n SER 235 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1mrg n SER 235 Cb 0.54 0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1mrg n SER 235 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mrg n ASN 236 N -1.01 0.15 -4.68 4.04 2.85 -0.96 -4.73 115.26 110.92 1mrg n ASN 236 Ca 0.00 0.02 -0.45 0.00 -0.11 0.00 0.00 54.58 54.05 1mrg n ASN 236 Cb 0.01 -0.31 -0.04 0.00 1.24 0.00 0.00 39.78 40.68 1mrg n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mrg n ILE 237 N -2.65 0.03 0.02 -1.44 3.06 0.03 -1.04 119.36 117.38 1mrg n ILE 237 Ca -0.01 -0.01 0.02 0.00 -2.50 0.00 0.00 62.75 60.26 1mrg n ILE 237 Cb 0.03 -1.70 -0.03 0.00 0.54 0.00 0.00 39.64 38.48 1mrg n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mrg n GLN 238 N 3.75 0.79 -3.83 9.51 1.13 0.33 -4.90 117.38 124.15 1mrg n GLN 238 Ca 0.17 -0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 1mrg n GLN 238 Cb 0.31 -1.06 -0.12 0.00 0.11 0.00 0.00 30.24 29.48 1mrg n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1mrg s LEU 239 N -3.17 1.42 -0.11 1.08 1.43 -1.24 -4.27 118.68 113.82 1mrg s LEU 239 Ca -0.01 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1mrg s LEU 239 Cb 0.03 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.79 1mrg s LEU 239 CO 0.18 -0.10 -0.11 -0.76 0.23 0.00 0.00 176.35 175.79 1mrg s LEU 240 N -0.13 2.85 0.01 1.79 1.43 -0.94 -4.98 118.68 118.72 1mrg s LEU 240 Ca -0.02 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1mrg s LEU 240 Cb -0.02 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1mrg s LEU 240 CO 0.00 0.22 1.38 -0.22 0.23 0.00 0.00 176.35 177.97 1mrg s LEU 241 N 0.02 4.32 0.23 1.79 2.96 -1.26 -0.70 118.68 126.04 1mrg s LEU 241 Ca -0.03 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 55.69 1mrg s LEU 241 Cb -0.14 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1mrg s LEU 241 CO 0.04 -0.69 1.50 0.21 -1.32 0.00 0.00 176.35 176.08 1mrg s ASN 242 N 1.74 6.60 0.54 3.68 3.04 -1.25 -4.69 114.94 124.60 1mrg s ASN 242 Ca 0.63 2.69 0.24 0.00 0.04 0.00 0.00 52.86 56.46 1mrg s ASN 242 Cb -0.32 -2.62 1.42 0.00 -1.54 0.00 0.00 41.25 38.20 1mrg s ASN 242 CO 0.27 -0.77 2.06 0.71 -3.04 0.00 0.00 177.10 176.33 1mrg h THR 243 N 3.66 0.74 0.00 -5.21 1.35 -1.91 0.19 112.91 111.73 1mrg h THR 243 Ca -0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1mrg h THR 243 Cb 1.21 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1mrg h THR 243 CO 0.82 0.00 -0.01 0.03 -0.25 0.00 0.00 175.52 176.11 1mrg h ARG 244 N 0.00 0.00 -0.55 4.72 2.47 -1.95 -1.93 114.38 117.14 1mrg h ARG 244 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1mrg h ARG 244 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1mrg h ARG 244 CO -0.00 0.01 0.00 0.09 0.56 0.00 0.00 179.97 180.62 1mrg n ASN 245 N -4.09 3.44 -0.94 7.04 4.13 0.65 -5.14 115.26 120.35 1mrg n ASN 245 Ca -0.03 -1.98 0.12 0.00 1.68 0.00 0.00 54.58 54.37 1mrg n ASN 245 Cb 0.09 -0.36 0.12 0.00 -1.54 0.00 0.00 39.78 38.08 1mrg n ASN 245 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16