#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrg s ILE 2 N 0.00 1.02 -0.56 -0.61 -1.09 -1.26 -4.93 121.20 113.76 3hrg s ILE 2 Ca 0.00 -0.38 -0.22 0.00 -2.23 0.00 0.00 60.65 57.83 3hrg s ILE 2 Cb 0.00 -0.97 0.06 0.00 -1.58 0.00 0.00 42.46 39.97 3hrg s ILE 2 CO 0.00 0.34 0.83 -0.62 -1.23 0.00 0.00 174.94 174.26 3hrg s ASP 3 N 0.98 6.25 0.52 3.58 -1.08 -1.26 -4.92 116.67 120.75 3hrg s ASP 3 Ca -0.09 -0.76 0.34 0.00 -0.52 0.00 0.00 52.55 51.52 3hrg s ASP 3 Cb -0.15 -2.38 1.63 0.00 -1.46 0.00 0.00 42.92 40.57 3hrg s ASP 3 CO 0.00 -1.16 2.03 -0.26 0.52 0.00 0.00 175.17 176.30 3hrg h PHE 4 N 9.26 0.00 0.00 -5.34 0.04 -2.04 -1.67 116.94 117.19 3hrg h PHE 4 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 3hrg h PHE 4 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 3hrg h PHE 4 CO 0.87 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.83 3hrg n THR 5 N -2.86 0.80 -0.53 -1.55 -2.24 -1.26 -1.94 114.28 104.70 3hrg n THR 5 Ca -0.01 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3hrg n THR 5 Cb 0.19 -0.97 0.35 0.00 -2.10 0.00 0.00 70.33 67.79 3hrg n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hrg n LYS 6 N -1.85 3.35 -0.15 -0.78 5.02 -0.63 -4.66 118.16 118.46 3hrg n LYS 6 Ca 0.04 -2.81 0.22 0.00 -2.02 0.00 0.00 58.31 53.73 3hrg n LYS 6 Cb 0.23 -1.77 0.63 0.00 -0.02 0.00 0.00 35.03 34.10 3hrg n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hrg h SER 7 N 4.21 0.16 0.22 4.39 4.64 -1.51 -0.89 113.55 124.78 3hrg h SER 7 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hrg h SER 7 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hrg h SER 7 CO 0.14 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 176.28 3hrg h LYS 8 N 0.16 0.00 -0.01 4.77 1.57 -1.68 -0.23 116.57 121.15 3hrg h LYS 8 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3hrg h LYS 8 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3hrg h LYS 8 CO -0.07 0.00 -0.49 1.04 -0.57 0.00 0.00 179.45 179.37 3hrg n GLN 9 N -2.29 0.88 -4.02 3.15 6.02 -0.34 -3.22 117.38 117.56 3hrg n GLN 9 Ca -0.00 -0.68 -0.22 0.00 -0.01 0.00 0.00 57.00 56.09 3hrg n GLN 9 Cb 0.09 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 3hrg n GLN 9 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3hrg s TYR 10 N -2.58 2.90 -0.18 1.08 2.02 -0.10 -4.55 117.35 115.95 3hrg s TYR 10 Ca 0.18 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 3hrg s TYR 10 Cb 0.18 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 3hrg s TYR 10 CO 0.60 0.37 -0.03 0.99 -1.57 0.00 0.00 175.55 175.91 3hrg s THR 11 N -2.28 3.74 -0.19 -0.71 2.01 -0.42 -0.20 115.64 117.59 3hrg s THR 11 Ca 0.37 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 3hrg s THR 11 Cb -0.06 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3hrg s THR 11 CO 0.24 0.46 0.17 -0.22 -0.69 0.00 0.00 174.62 174.59 3hrg s LEU 12 N 0.77 4.21 -0.08 4.42 2.96 -0.04 -0.88 118.68 130.04 3hrg s LEU 12 Ca -0.01 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 3hrg s LEU 12 Cb -0.14 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 3hrg s LEU 12 CO 0.02 0.15 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.51 3hrg s SER 13 N 0.45 3.09 -0.12 3.68 0.01 0.34 -1.32 113.70 119.84 3hrg s SER 13 Ca 0.10 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.84 3hrg s SER 13 Cb -0.12 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 64.96 3hrg s SER 13 CO -0.00 0.20 -0.18 -0.63 0.41 0.00 0.00 173.24 173.04 3hrg s ILE 14 N 0.12 1.68 -0.19 1.44 1.01 0.01 -1.00 121.20 124.27 3hrg s ILE 14 Ca -0.12 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 3hrg s ILE 14 Cb -0.16 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3hrg s ILE 14 CO 0.07 0.48 -0.05 -0.60 0.00 0.00 0.00 174.94 174.83 3hrg s ARG 15 N 0.92 3.46 -0.17 2.79 3.52 0.42 -4.26 118.95 125.63 3hrg s ARG 15 Ca -0.07 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 3hrg s ARG 15 Cb -0.15 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 3hrg s ARG 15 CO -0.01 -0.02 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.91 3hrg s LEU 16 N 1.03 3.25 0.20 -0.88 1.43 -1.26 -1.69 118.68 120.77 3hrg s LEU 16 Ca 0.01 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 3hrg s LEU 16 Cb -0.15 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3hrg s LEU 16 CO 0.00 0.15 0.50 -0.94 0.23 0.00 0.00 176.35 176.29 3hrg s SER 17 N 0.51 -0.21 0.48 2.29 1.04 -1.16 -0.68 113.70 115.96 3hrg s SER 17 Ca -0.03 -0.58 0.31 0.00 0.48 0.00 0.00 55.95 56.13 3hrg s SER 17 Cb -0.14 0.57 1.19 0.00 0.10 0.00 0.00 66.02 67.74 3hrg s SER 17 CO 0.03 -1.06 1.89 0.71 0.98 0.00 0.00 173.24 175.79 3hrg h THR 18 N 2.23 0.00 -0.57 2.02 1.35 -1.99 -2.93 112.91 113.01 3hrg h THR 18 Ca -0.28 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3hrg h THR 18 Cb 1.26 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3hrg h THR 18 CO 0.37 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.97 3hrg n ASP 19 N -2.91 3.52 0.00 5.36 2.03 -1.26 -4.82 116.55 118.47 3hrg n ASP 19 Ca 0.01 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.17 3hrg n ASP 19 Cb 0.32 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 3hrg n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hrg n GLY 20 N 1.26 3.95 3.57 0.27 0.00 -1.11 -4.75 105.19 108.37 3hrg n GLY 20 Ca 0.20 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 3hrg n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hrg s PHE 21 N -2.23 2.90 0.02 1.61 0.08 -0.22 -3.00 117.98 117.15 3hrg s PHE 21 Ca 0.00 -0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.11 3hrg s PHE 21 Cb 0.00 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3hrg s PHE 21 CO 0.00 0.32 -0.22 -1.12 -0.10 0.00 0.00 175.22 174.10 3hrg s SER 22 N -0.92 2.62 -0.01 1.36 0.01 -0.68 -0.51 113.70 115.57 3hrg s SER 22 Ca 0.13 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.92 3hrg s SER 22 Cb -0.11 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 3hrg s SER 22 CO 0.02 0.21 -0.07 -0.36 0.41 0.00 0.00 173.24 173.45 3hrg s PHE 23 N -0.71 0.75 0.01 2.43 0.40 -0.62 -0.44 117.98 119.81 3hrg s PHE 23 Ca 0.09 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3hrg s PHE 23 Cb -0.09 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 3hrg s PHE 23 CO 0.01 -0.05 0.03 -1.54 0.70 0.00 0.00 175.22 174.36 3hrg s SER 24 N 0.04 0.17 -0.15 1.36 1.04 -0.17 -1.46 113.70 114.54 3hrg s SER 24 Ca -0.00 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.04 3hrg s SER 24 Cb -0.06 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3hrg s SER 24 CO -0.00 -0.32 -0.18 -0.63 0.98 0.00 0.00 173.24 173.09 3hrg s ILE 25 N -1.41 2.43 -0.15 -1.02 1.01 -0.49 -0.50 121.20 121.07 3hrg s ILE 25 Ca -0.15 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3hrg s ILE 25 Cb -0.09 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3hrg s ILE 25 CO -0.00 0.53 -0.09 -0.47 0.00 0.00 0.00 174.94 174.91 3hrg s TYR 26 N 0.79 2.90 -0.40 3.97 5.04 -0.05 -1.09 117.35 128.50 3hrg s TYR 26 Ca -0.07 -0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 53.91 3hrg s TYR 26 Cb -0.15 -1.91 0.05 0.00 0.35 0.00 0.00 41.96 40.30 3hrg s TYR 26 CO -0.00 -0.18 0.24 1.21 -1.34 0.00 0.00 175.55 175.47 3hrg s ASN 27 N 0.47 5.70 0.29 4.32 3.84 0.13 -1.30 114.94 128.38 3hrg s ASN 27 Ca -0.07 -1.26 0.25 0.00 0.21 0.00 0.00 52.86 51.99 3hrg s ASN 27 Cb -0.15 -2.01 0.69 0.00 -0.55 0.00 0.00 41.25 39.22 3hrg s ASN 27 CO 0.04 -0.47 1.73 1.55 -2.79 0.00 0.00 177.10 177.15 3hrg h PRO 28 N 8.44 0.00 0.28 0.43 0.13 -1.84 -1.17 132.00 138.27 3hrg h PRO 28 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3hrg h PRO 28 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hrg h PRO 28 CO 0.72 0.00 -0.13 0.82 -0.23 0.00 0.00 178.00 179.18 3hrg h ILE 29 N 0.00 0.72 -0.00 -3.56 1.08 -1.93 -3.24 117.51 110.58 3hrg h ILE 29 Ca 0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 3hrg h ILE 29 Cb 0.80 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 3hrg h ILE 29 CO 0.00 0.13 -0.42 0.59 -0.69 0.00 0.00 178.15 177.76 3hrg n ASN 30 N -5.09 0.83 -3.15 1.72 4.13 -1.26 -5.03 115.26 107.42 3hrg n ASN 30 Ca -0.09 -0.64 -0.08 0.00 1.68 0.00 0.00 54.58 55.45 3hrg n ASN 30 Cb 0.26 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3hrg n ASN 30 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3hrg n ASP 31 N -1.05 -7.25 -3.45 6.41 2.03 -0.51 -5.07 116.55 107.66 3hrg n ASP 31 Ca 0.09 -0.08 -0.14 0.00 0.52 0.00 0.00 54.79 55.18 3hrg n ASP 31 Cb 0.35 -4.56 -0.03 0.00 -0.72 0.00 0.00 41.12 36.16 3hrg n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hrg s ASN 32 N -2.82 -0.59 0.29 1.67 2.20 -0.81 -5.02 114.94 109.86 3hrg s ASN 32 Ca 0.08 0.20 0.12 0.00 -0.94 0.00 0.00 52.86 52.31 3hrg s ASN 32 Cb -0.02 0.58 -0.05 0.00 -2.00 0.00 0.00 41.25 39.76 3hrg s ASN 32 CO 0.78 -0.86 -0.18 -0.44 -2.94 0.00 0.00 177.10 173.47 3hrg s SER 33 N -2.30 3.65 -0.15 3.54 0.01 -1.26 -0.70 113.70 116.49 3hrg s SER 33 Ca -0.02 -1.03 -0.04 0.00 1.31 0.00 0.00 55.95 56.16 3hrg s SER 33 Cb -0.01 -0.33 0.08 0.00 0.21 0.00 0.00 66.02 65.97 3hrg s SER 33 CO -0.06 0.01 0.25 -1.58 0.41 0.00 0.00 173.24 172.26 3hrg s GLN 34 N -3.53 0.16 -0.54 12.44 2.00 -0.25 -5.00 119.66 124.94 3hrg s GLN 34 Ca 0.30 0.56 -0.28 0.00 -2.00 0.00 0.00 55.36 53.95 3hrg s GLN 34 Cb -0.04 -0.43 -0.00 0.00 0.80 0.00 0.00 33.01 33.34 3hrg s GLN 34 CO 0.15 -0.42 1.59 -1.12 -0.50 0.00 0.00 175.29 174.99 3hrg s SER 35 N 2.39 5.87 0.08 6.67 0.01 -1.26 -1.39 113.70 126.06 3hrg s SER 35 Ca 0.04 0.45 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 3hrg s SER 35 Cb -0.13 -2.54 -0.27 0.00 0.21 0.00 0.00 66.02 63.29 3hrg s SER 35 CO -0.10 -1.88 1.14 0.25 0.41 0.00 0.00 173.24 173.06 3hrg h LEU 36 N 14.04 0.34 -7.00 2.44 5.85 -1.60 -3.48 115.31 125.89 3hrg h LEU 36 Ca -0.28 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.08 3hrg h LEU 36 Cb 1.12 -0.11 -0.21 0.00 0.37 0.00 0.00 40.66 41.83 3hrg h LEU 36 CO 1.17 1.29 0.35 -0.36 -0.34 0.00 0.00 178.44 180.55 3hrg s PHE 37 N -2.66 -0.53 -0.21 1.25 0.08 -1.19 -5.03 117.98 109.69 3hrg s PHE 37 Ca -0.03 0.91 0.01 0.00 0.12 0.00 0.00 56.93 57.94 3hrg s PHE 37 Cb 0.08 0.43 0.04 0.00 -0.57 0.00 0.00 43.02 43.00 3hrg s PHE 37 CO 0.87 -0.48 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.19 3hrg s GLU 38 N -1.12 2.08 -0.25 0.44 0.41 -1.26 -1.58 118.70 117.42 3hrg s GLU 38 Ca -0.07 -0.90 -0.11 0.00 -0.41 0.00 0.00 54.97 53.48 3hrg s GLU 38 Cb -0.00 -2.49 -0.05 0.00 -1.78 0.00 0.00 34.13 29.81 3hrg s GLU 38 CO 0.06 -0.44 0.18 0.15 -0.49 0.00 0.00 175.26 174.72 3hrg s LYS 39 N 1.36 4.03 0.07 1.61 3.01 0.33 -4.98 119.74 125.17 3hrg s LYS 39 Ca -0.02 -0.27 -0.30 0.00 -1.01 0.00 0.00 55.97 54.37 3hrg s LYS 39 Cb -0.17 -3.58 -0.05 0.00 -1.01 0.00 0.00 37.83 33.02 3hrg s LYS 39 CO -0.08 -0.02 1.09 -2.00 0.51 0.00 0.00 175.35 174.85 3hrg s GLU 40 N 1.30 4.53 0.06 1.68 2.12 -1.26 -1.06 118.70 126.06 3hrg s GLU 40 Ca 0.08 1.62 -0.18 0.00 0.36 0.00 0.00 54.97 56.84 3hrg s GLU 40 Cb -0.14 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 3hrg s GLU 40 CO 0.07 -0.09 0.53 0.14 -0.54 0.00 0.00 175.26 175.37 3hrg s VAL 41 N 0.72 4.81 -0.53 3.70 -7.23 -1.26 -4.92 120.40 115.69 3hrg s VAL 41 Ca 0.54 1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 61.57 3hrg s VAL 41 Cb -0.26 -3.85 0.03 0.00 0.56 0.00 0.00 36.38 32.86 3hrg s VAL 41 CO 0.30 0.55 1.01 -0.62 -0.31 0.00 0.00 175.10 176.03 3hrg s ASP 42 N -1.12 6.42 0.09 4.85 -1.08 -1.26 -4.91 116.67 119.67 3hrg s ASP 42 Ca 0.28 -0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.36 3hrg s ASP 42 Cb -0.19 -2.48 0.57 0.00 -1.46 0.00 0.00 42.92 39.37 3hrg s ASP 42 CO 0.18 -1.25 1.39 0.35 0.52 0.00 0.00 175.17 176.36 3hrg n THR 43 N 6.41 1.29 1.30 1.71 -2.24 -1.26 -1.79 114.28 119.70 3hrg n THR 43 Ca 0.05 0.40 0.14 0.00 -2.27 0.00 0.00 64.05 62.36 3hrg n THR 43 Cb 0.48 -1.29 0.54 0.00 -2.10 0.00 0.00 70.33 67.95 3hrg n THR 43 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hrg n SER 44 N -1.74 0.52 -4.55 3.42 7.64 -1.26 -4.87 113.62 112.77 3hrg n SER 44 Ca 0.01 -0.49 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 3hrg n SER 44 Cb 0.11 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 3hrg n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hrg s LEU 45 N -2.58 2.87 0.85 -3.43 1.43 -0.74 -5.14 118.68 111.95 3hrg s LEU 45 Ca 0.25 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3hrg s LEU 45 Cb 0.20 -1.40 0.10 0.00 0.03 0.00 0.00 46.19 45.12 3hrg s LEU 45 CO 0.51 0.03 1.09 -0.94 0.23 0.00 0.00 176.35 177.27 3hrg s SER 46 N -3.56 3.89 0.22 2.29 1.04 -1.26 -4.84 113.70 111.49 3hrg s SER 46 Ca 0.30 1.45 -0.05 0.00 0.48 0.00 0.00 55.95 58.13 3hrg s SER 46 Cb -0.06 -2.15 0.21 0.00 0.10 0.00 0.00 66.02 64.13 3hrg s SER 46 CO 0.17 -2.37 1.69 -0.07 0.98 0.00 0.00 173.24 173.64 3hrg h LEU 47 N -1.36 0.87 -0.73 2.42 -0.00 -1.99 -1.36 115.31 113.16 3hrg h LEU 47 Ca -0.48 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 57.12 3hrg h LEU 47 Cb 1.27 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 3hrg h LEU 47 CO 0.56 0.95 0.30 0.74 -0.00 0.00 0.00 178.44 181.00 3hrg h THR 48 N 0.81 1.25 -0.65 0.22 2.02 -1.94 0.62 112.91 115.23 3hrg h THR 48 Ca 0.15 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 3hrg h THR 48 Cb 0.54 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3hrg h THR 48 CO 0.03 0.31 0.07 0.00 0.37 0.00 0.00 175.52 176.30 3hrg h ALA 49 N 1.15 0.90 -0.62 6.16 0.00 -1.89 0.66 119.26 125.61 3hrg h ALA 49 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hrg h ALA 49 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hrg h ALA 49 CO -0.02 0.67 0.20 -0.91 0.00 0.00 0.00 179.25 179.19 3hrg h ASN 50 N 1.02 0.89 -0.25 0.00 2.35 -0.98 -1.96 115.58 116.66 3hrg h ASN 50 Ca 0.19 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3hrg h ASN 50 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3hrg h ASN 50 CO 0.02 0.86 0.14 -0.07 -1.65 0.00 0.00 177.43 176.72 3hrg h LEU 51 N 0.88 0.31 -0.99 1.61 3.38 -0.46 -1.52 115.31 118.53 3hrg h LEU 51 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hrg h LEU 51 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hrg h LEU 51 CO -0.01 0.30 0.54 0.11 0.09 0.00 0.00 178.44 179.48 3hrg h LYS 52 N 0.29 1.24 -0.26 1.13 1.57 -0.79 -1.35 116.57 118.40 3hrg h LYS 52 Ca 0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hrg h LYS 52 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hrg h LYS 52 CO -0.01 0.87 0.14 -0.91 -0.57 0.00 0.00 179.45 178.97 3hrg h ASN 53 N 1.26 0.33 -0.59 0.86 2.35 -1.09 -1.56 115.58 117.13 3hrg h ASN 53 Ca 0.33 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3hrg h ASN 53 Cb -0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3hrg h ASN 53 CO -0.06 0.32 0.11 0.58 -1.65 0.00 0.00 177.43 176.73 3hrg h VAL 54 N 0.31 1.25 -0.41 2.81 2.07 -0.93 -1.24 116.25 120.12 3hrg h VAL 54 Ca 0.09 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 3hrg h VAL 54 Cb 0.06 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3hrg h VAL 54 CO -0.01 0.36 -0.21 -0.26 0.02 0.00 0.00 177.57 177.46 3hrg h PHE 55 N 0.95 0.92 -0.52 1.57 -1.00 -1.20 -0.78 116.94 116.88 3hrg h PHE 55 Ca 0.19 -0.21 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 3hrg h PHE 55 Cb 0.39 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 3hrg h PHE 55 CO 0.03 0.95 0.04 1.25 -1.61 0.00 0.00 178.31 178.97 3hrg h HIS 56 N 0.71 0.96 0.00 -0.55 2.76 -0.85 -3.25 115.15 114.93 3hrg h HIS 56 Ca 0.10 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3hrg h HIS 56 Cb 0.74 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 3hrg h HIS 56 CO 0.04 0.88 -0.13 0.93 -1.30 0.00 0.00 177.93 178.34 3hrg h GLU 57 N 0.76 0.00 -4.66 5.26 5.08 -1.11 -3.45 114.58 116.47 3hrg h GLU 57 Ca 0.15 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.82 3hrg h GLU 57 Cb 0.46 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.45 3hrg h GLU 57 CO 0.02 0.06 -0.57 -1.12 -1.00 0.00 0.00 179.01 176.40 3hrg s SER 58 N -6.18 5.48 0.34 1.42 0.01 -0.31 -4.98 113.70 109.49 3hrg s SER 58 Ca 0.06 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.35 3hrg s SER 58 Cb 0.06 -1.94 0.63 0.00 0.21 0.00 0.00 66.02 64.97 3hrg s SER 58 CO 0.69 -0.33 1.99 0.44 0.41 0.00 0.00 173.24 176.44 3hrg h ASP 59 N 8.32 0.75 0.59 2.44 3.32 -1.87 -2.53 116.42 127.44 3hrg h ASP 59 Ca -0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3hrg h ASP 59 Cb 1.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3hrg h ASP 59 CO 0.63 0.53 0.00 2.19 -1.72 0.00 0.00 179.24 180.87 3hrg h PHE 60 N 0.88 0.00 -0.00 4.55 -0.00 -1.96 0.56 116.94 120.96 3hrg h PHE 60 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.24 3hrg h PHE 60 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 3hrg h PHE 60 CO -0.00 0.00 -0.02 1.28 -0.00 0.00 0.00 178.31 179.57 3hrg n LEU 61 N -2.70 0.04 -0.65 2.10 4.77 -0.95 -2.92 117.00 116.68 3hrg n LEU 61 Ca 0.00 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 3hrg n LEU 61 Cb 0.20 -0.39 0.11 0.00 -2.33 0.00 0.00 43.42 41.01 3hrg n LEU 61 CO 0.21 0.01 0.52 -1.20 -1.33 0.00 0.00 177.39 175.60 3hrg n SER 62 N -1.39 1.79 -4.59 -1.43 7.64 0.20 -4.94 113.62 110.89 3hrg n SER 62 Ca 0.10 -2.13 -0.23 0.00 1.01 0.00 0.00 58.87 57.62 3hrg n SER 62 Cb 0.30 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 3hrg n SER 62 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hrg s TYR 63 N -1.63 2.58 -0.11 1.43 1.51 -1.15 -5.09 117.35 114.90 3hrg s TYR 63 Ca 0.16 -0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.78 3hrg s TYR 63 Cb 0.10 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3hrg s TYR 63 CO 0.08 0.64 0.51 -1.12 -1.11 0.00 0.00 175.55 174.55 3hrg s SER 64 N -3.57 6.74 0.21 2.29 0.01 -1.26 -5.07 113.70 113.05 3hrg s SER 64 Ca 0.31 0.88 0.08 0.00 1.31 0.00 0.00 55.95 58.53 3hrg s SER 64 Cb -0.06 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 3hrg s SER 64 CO 0.18 -0.01 -0.01 -0.31 0.41 0.00 0.00 173.24 173.50 3hrg s TYR 65 N 0.61 2.78 0.20 2.43 2.02 -1.26 -2.06 117.35 122.08 3hrg s TYR 65 Ca 0.28 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 3hrg s TYR 65 Cb -0.16 -1.31 0.15 0.00 -0.40 0.00 0.00 41.96 40.24 3hrg s TYR 65 CO 0.12 0.55 1.65 -0.22 -1.57 0.00 0.00 175.55 176.07 3hrg h LYS 66 N 2.43 0.93 -3.09 -0.62 3.64 -0.55 -3.46 116.57 115.84 3hrg h LYS 66 Ca -0.46 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 58.46 3hrg h LYS 66 Cb 1.22 -0.07 -0.23 0.00 -0.41 0.00 0.00 32.23 32.74 3hrg h LYS 66 CO 0.58 0.97 -0.35 0.50 -2.27 0.00 0.00 179.45 178.88 3hrg s ARG 67 N -4.85 0.48 -0.13 1.90 3.52 -1.17 -5.03 118.95 113.68 3hrg s ARG 67 Ca -0.11 0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 3hrg s ARG 67 Cb 0.13 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.77 3hrg s ARG 67 CO 0.84 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 175.25 3hrg s VAL 68 N -0.57 1.01 -0.15 7.11 1.01 -1.26 -0.86 120.40 126.68 3hrg s VAL 68 Ca -0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3hrg s VAL 68 Cb -0.04 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hrg s VAL 68 CO 0.02 0.28 0.02 0.20 0.00 0.00 0.00 175.10 175.62 3hrg s ASN 69 N 1.70 5.33 0.52 3.32 0.01 -0.43 -0.58 114.94 124.81 3hrg s ASN 69 Ca 0.04 0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3hrg s ASN 69 Cb -0.13 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.72 3hrg s ASN 69 CO -0.08 0.23 0.09 -0.63 -1.51 0.00 0.00 177.10 175.20 3hrg s ILE 70 N 0.04 1.25 -0.30 0.60 -1.09 0.39 -0.81 121.20 121.28 3hrg s ILE 70 Ca 0.03 -1.89 -0.07 0.00 -2.23 0.00 0.00 60.65 56.50 3hrg s ILE 70 Cb -0.13 -2.14 0.18 0.00 -1.58 0.00 0.00 42.46 38.79 3hrg s ILE 70 CO 0.02 0.00 0.76 -0.63 -1.23 0.00 0.00 174.94 173.86 3hrg s ILE 72 N -2.86 -0.78 -0.40 2.92 -1.09 -0.02 0.04 121.20 119.02 3hrg s ILE 72 Ca 0.11 0.00 -0.22 0.00 -2.23 0.00 0.00 60.65 58.32 3hrg s ILE 72 Cb 0.01 -1.00 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 3hrg s ILE 72 CO 0.07 0.00 0.70 0.00 -1.23 0.00 0.00 174.94 174.47 3hrg s ALA 73 N 2.85 3.39 0.06 9.38 0.00 0.15 -1.20 121.76 136.38 3hrg s ALA 73 Ca 0.10 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 3hrg s ALA 73 Cb -0.12 -3.30 0.09 0.00 0.00 0.00 0.00 23.12 19.78 3hrg s ALA 73 CO -0.18 -1.60 0.77 0.45 0.00 0.00 0.00 175.76 175.20 3hrg s SER 74 N 1.93 -0.46 0.00 0.00 0.15 -1.26 -4.55 113.70 109.51 3hrg s SER 74 Ca 0.27 0.04 0.28 0.00 0.70 0.00 0.00 55.95 57.24 3hrg s SER 74 Cb -0.14 0.47 1.16 0.00 -1.71 0.00 0.00 66.02 65.81 3hrg s SER 74 CO 0.18 -0.75 1.83 2.29 1.20 0.00 0.00 173.24 177.99 3hrg n LYS 75 N -0.23 0.49 -2.33 5.44 2.85 -1.26 -4.58 118.16 118.54 3hrg n LYS 75 Ca -0.12 -0.16 -0.43 0.00 -1.05 0.00 0.00 58.31 56.55 3hrg n LYS 75 Cb 0.63 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3hrg n LYS 75 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hrg n ARG 76 N -1.12 3.43 -3.84 -1.58 1.74 -1.26 -4.67 116.66 109.37 3hrg n ARG 76 Ca 0.12 -3.40 -0.10 0.00 -0.77 0.00 0.00 57.85 53.70 3hrg n ARG 76 Cb 0.29 -3.03 -0.08 0.00 -1.02 0.00 0.00 32.46 28.62 3hrg n ARG 76 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hrg s PHE 77 N 1.22 0.07 0.00 -1.55 -0.12 -1.26 -1.93 117.98 114.41 3hrg s PHE 77 Ca 0.42 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 3hrg s PHE 77 Cb 0.08 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3hrg s PHE 77 CO -0.01 -0.48 0.00 2.41 -0.05 0.00 0.00 175.22 177.09 3hrg n THR 78 N 0.40 0.00 0.00 -4.49 -1.04 0.36 -4.85 114.28 104.66 3hrg n THR 78 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3hrg n THR 78 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3hrg n THR 78 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hrg n ILE 80 N 0.00 0.00 -1.83 12.58 2.08 -0.25 -0.96 119.36 130.98 3hrg n ILE 80 Ca 0.00 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.93 3hrg n ILE 80 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 38.93 3hrg n ILE 80 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3hrg s PRO 81 N -0.26 3.17 0.27 0.38 0.02 -1.26 -0.46 135.00 136.86 3hrg s PRO 81 Ca 0.00 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3hrg s PRO 81 Cb 0.00 -2.25 0.43 0.00 0.02 0.00 0.00 34.50 32.71 3hrg s PRO 81 CO 0.00 -1.14 1.87 1.25 -0.33 0.00 0.00 177.00 178.65 3hrg h LEU 82 N 1.46 1.01 -1.69 -5.54 5.85 -1.37 -0.85 115.31 114.18 3hrg h LEU 82 Ca -0.51 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3hrg h LEU 82 Cb 1.30 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hrg h LEU 82 CO 0.57 0.62 0.00 1.05 -0.34 0.00 0.00 178.44 180.34 3hrg h GLU 83 N 1.13 0.00 -0.02 1.25 4.11 -1.90 -1.65 114.58 117.50 3hrg h GLU 83 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 3hrg h GLU 83 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hrg h GLU 83 CO -0.19 0.00 -0.18 1.28 0.07 0.00 0.00 179.01 179.98 3hrg n LEU 84 N -2.80 2.53 -4.78 3.06 4.77 -0.37 -4.99 117.00 114.42 3hrg n LEU 84 Ca -0.00 -0.90 -0.38 0.00 -0.03 0.00 0.00 56.01 54.70 3hrg n LEU 84 Cb 0.20 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3hrg n LEU 84 CO 0.22 0.44 0.10 0.12 -1.33 0.00 0.00 177.39 176.93 3hrg s PHE 85 N -2.10 3.61 -0.05 -1.77 5.36 -0.62 -4.94 117.98 117.48 3hrg s PHE 85 Ca 0.23 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 3hrg s PHE 85 Cb 0.18 -2.37 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 3hrg s PHE 85 CO 0.39 0.42 -0.02 -1.21 -1.46 0.00 0.00 175.22 173.34 3hrg s GLU 86 N -0.26 0.63 0.28 10.12 0.41 -1.26 -5.00 118.70 123.61 3hrg s GLU 86 Ca 0.23 -0.01 0.01 0.00 -0.41 0.00 0.00 54.97 54.79 3hrg s GLU 86 Cb -0.15 -0.76 0.59 0.00 -1.78 0.00 0.00 34.13 32.03 3hrg s GLU 86 CO 0.10 -0.14 1.77 1.49 -0.49 0.00 0.00 175.26 177.99 3hrg h GLU 87 N 7.43 0.65 0.00 1.61 4.81 -2.00 0.29 114.58 127.38 3hrg h GLU 87 Ca -0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3hrg h GLU 87 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3hrg h GLU 87 CO 0.43 0.43 0.00 1.49 -0.73 0.00 0.00 179.01 180.63 3hrg h GLU 88 N 0.67 0.00 -0.01 1.92 4.81 -2.04 -2.19 114.58 117.74 3hrg h GLU 88 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3hrg h GLU 88 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hrg h GLU 88 CO -0.37 0.00 -0.48 1.04 -0.73 0.00 0.00 179.01 178.47 3hrg n GLN 89 N -2.91 1.22 -0.10 1.92 1.13 0.06 -4.71 117.38 114.00 3hrg n GLN 89 Ca -0.01 -0.96 -0.07 0.00 -1.94 0.00 0.00 57.00 54.02 3hrg n GLN 89 Cb 0.18 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.06 3hrg n GLN 89 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hrg h ALA 90 N 3.79 -0.02 -0.54 -1.58 0.00 -1.07 -0.22 119.26 119.61 3hrg h ALA 90 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3hrg h ALA 90 Cb 0.74 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3hrg h ALA 90 CO 0.00 -0.63 -0.12 0.93 0.00 0.00 0.00 179.25 179.43 3hrg h GLU 91 N -0.19 1.03 -0.33 0.00 5.08 -1.84 -1.35 114.58 116.99 3hrg h GLU 91 Ca 0.18 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3hrg h GLU 91 Cb 0.46 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hrg h GLU 91 CO -0.47 1.08 0.18 -0.07 -1.00 0.00 0.00 179.01 178.73 3hrg h LEU 92 N 0.91 0.28 -0.57 1.33 3.38 -1.80 -0.71 115.31 118.14 3hrg h LEU 92 Ca 0.14 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3hrg h LEU 92 Cb 0.70 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3hrg h LEU 92 CO 0.05 0.21 0.14 0.25 0.09 0.00 0.00 178.44 179.18 3hrg h LEU 93 N 0.37 0.87 -0.13 1.67 5.85 -0.93 -2.09 115.31 120.92 3hrg h LEU 93 Ca 0.13 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hrg h LEU 93 Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3hrg h LEU 93 CO -0.07 0.88 0.08 0.15 -0.34 0.00 0.00 178.44 179.14 3hrg h PHE 94 N 0.82 0.16 0.00 1.25 3.57 -0.98 -2.81 116.94 118.94 3hrg h PHE 94 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3hrg h PHE 94 Cb 0.35 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3hrg h PHE 94 CO 0.02 0.10 0.00 0.66 -2.23 0.00 0.00 178.31 176.86 3hrg n TYR 95 N -5.00 0.00 0.13 0.41 4.01 -0.29 -0.88 117.16 115.53 3hrg n TYR 95 Ca -0.05 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.71 3hrg n TYR 95 Cb 0.03 -0.37 0.06 0.00 -0.31 0.00 0.00 39.34 38.75 3hrg n TYR 95 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hrg h HIS 96 N 0.00 0.00 0.00 -0.72 -0.00 -1.12 -3.36 115.15 109.95 3hrg h HIS 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hrg h HIS 96 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3hrg h HIS 96 CO 0.00 0.58 -1.54 0.09 -0.00 0.00 0.00 177.93 177.06 3hrg n ASN 97 N -3.31 1.04 -4.10 3.26 3.02 -0.65 -4.98 115.26 109.54 3hrg n ASN 97 Ca 0.01 -0.21 -0.15 0.00 -0.03 0.00 0.00 54.58 54.20 3hrg n ASN 97 Cb 0.73 1.59 -0.12 0.00 -0.61 0.00 0.00 39.78 41.37 3hrg n ASN 97 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hrg s HIS 98 N -3.03 0.87 0.37 3.10 3.76 -0.06 -5.10 115.29 115.21 3hrg s HIS 98 Ca -0.03 -0.48 -0.27 0.00 -0.15 0.00 0.00 55.06 54.14 3hrg s HIS 98 Cb 0.11 -0.51 -0.09 0.00 1.11 0.00 0.00 32.58 33.21 3hrg s HIS 98 CO 0.70 -0.03 1.22 -1.14 -0.85 0.00 0.00 174.74 174.63 3hrg s GLN 99 N -1.61 4.17 0.66 1.40 2.00 -1.26 -4.42 119.66 120.60 3hrg s GLN 99 Ca -0.07 1.98 -0.17 0.00 -2.00 0.00 0.00 55.36 55.10 3hrg s GLN 99 Cb -0.10 -2.83 -0.01 0.00 0.80 0.00 0.00 33.01 30.87 3hrg s GLN 99 CO 0.01 -0.26 1.14 1.63 -0.50 0.00 0.00 175.29 177.31 3hrg n LYS 100 N 0.36 0.88 -3.66 1.67 5.02 -1.26 -5.02 118.16 116.15 3hrg n LYS 100 Ca 0.03 0.35 -0.07 0.00 -2.02 0.00 0.00 58.31 56.60 3hrg n LYS 100 Cb 0.45 -2.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.00 3hrg n LYS 100 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3hrg s ARG 101 N -3.26 0.47 0.11 1.97 3.52 -1.26 -5.09 118.95 115.41 3hrg s ARG 101 Ca 0.79 1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 57.35 3hrg s ARG 101 Cb -0.38 0.31 -0.07 0.00 -1.56 0.00 0.00 34.95 33.25 3hrg s ARG 101 CO 0.44 -0.20 1.44 1.49 -0.81 0.00 0.00 175.30 177.66 3hrg h GLU 102 N 7.64 0.79 -1.78 5.12 4.57 -2.04 -3.25 114.58 125.63 3hrg h GLU 102 Ca -0.24 -0.41 -0.41 0.00 -1.18 0.00 0.00 59.36 57.11 3hrg h GLU 102 Cb 1.15 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.60 3hrg h GLU 102 CO 0.17 1.04 0.37 -1.71 -1.18 0.00 0.00 179.01 177.71 3hrg n ASN 103 N -4.19 6.43 -4.06 1.04 5.15 -1.26 -4.85 115.26 113.51 3hrg n ASN 103 Ca -0.03 -3.12 -0.21 0.00 -0.60 0.00 0.00 54.58 50.62 3hrg n ASN 103 Cb 0.50 -1.16 -0.15 0.00 -0.53 0.00 0.00 39.78 38.43 3hrg n ASN 103 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3hrg s GLU 104 N -1.66 1.03 -0.09 1.20 2.12 -1.23 -1.01 118.70 119.06 3hrg s GLU 104 Ca 0.47 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 3hrg s GLU 104 Cb 0.32 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.70 3hrg s GLU 104 CO -0.12 0.22 -0.04 0.42 -0.54 0.00 0.00 175.26 175.21 3hrg s ILE 105 N -0.15 3.97 0.18 -3.70 1.01 0.04 -4.81 121.20 117.74 3hrg s ILE 105 Ca 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3hrg s ILE 105 Cb -0.06 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3hrg s ILE 105 CO -0.00 0.58 0.26 -0.69 0.00 0.00 0.00 174.94 175.09 3hrg s VAL 106 N -0.62 5.03 -0.19 2.92 1.01 -1.26 -0.99 120.40 126.29 3hrg s VAL 106 Ca 0.10 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3hrg s VAL 106 Cb -0.12 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.78 3hrg s VAL 106 CO 0.02 -0.17 1.11 -0.72 0.00 0.00 0.00 175.10 175.35 3hrg s TYR 108 N -1.83 -0.26 -0.11 5.22 -0.85 -1.26 -4.97 117.35 113.29 3hrg s TYR 108 Ca 0.33 0.43 0.03 0.00 -0.52 0.00 0.00 57.07 57.34 3hrg s TYR 108 Cb -0.10 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.70 3hrg s TYR 108 CO 0.27 -0.25 -0.22 -0.80 -1.52 0.00 0.00 175.55 173.03 3hrg s ASN 109 N -1.16 3.28 -0.19 -0.18 0.02 0.18 -4.99 114.94 111.89 3hrg s ASN 109 Ca 0.02 -0.51 -0.17 0.00 -1.02 0.00 0.00 52.86 51.17 3hrg s ASN 109 Cb -0.01 -1.45 -0.04 0.00 0.02 0.00 0.00 41.25 39.78 3hrg s ASN 109 CO -0.02 0.16 0.46 -0.63 0.02 0.00 0.00 177.10 177.09 3hrg s ILE 110 N 0.36 5.15 -0.90 0.60 1.01 -1.26 -1.26 121.20 124.90 3hrg s ILE 110 Ca -0.17 0.85 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3hrg s ILE 110 Cb -0.18 -3.79 0.23 0.00 0.01 0.00 0.00 42.46 38.73 3hrg s ILE 110 CO 0.08 0.22 0.83 -0.76 0.00 0.00 0.00 174.94 175.31 3hrg s LEU 111 N 1.40 6.22 0.14 2.97 1.02 0.49 -4.94 118.68 125.97 3hrg s LEU 111 Ca 0.22 -3.17 -0.19 0.00 0.02 0.00 0.00 54.13 51.01 3hrg s LEU 111 Cb -0.15 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.94 3hrg s LEU 111 CO 0.09 -0.39 1.73 0.50 0.02 0.00 0.00 176.35 178.30 3hrg h LYS 112 N 7.03 0.12 -0.60 1.70 1.63 -1.95 -1.29 116.57 123.20 3hrg h LYS 112 Ca 0.12 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 3hrg h LYS 112 Cb 0.94 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.51 3hrg h LYS 112 CO 0.84 0.08 0.40 0.87 -3.45 0.00 0.00 179.45 178.19 3hrg h LYS 113 N 0.12 0.53 -0.04 1.90 6.56 -1.95 -2.58 116.57 121.11 3hrg h LYS 113 Ca 0.11 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 3hrg h LYS 113 Cb 0.12 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3hrg h LYS 113 CO -0.16 0.35 0.00 0.09 -2.06 0.00 0.00 179.45 177.67 3hrg n ASN 114 N -4.48 2.56 -3.88 0.86 4.13 -0.95 -4.98 115.26 108.52 3hrg n ASN 114 Ca 0.09 -1.85 -0.30 0.00 1.68 0.00 0.00 54.58 54.20 3hrg n ASN 114 Cb 0.27 -0.01 0.03 0.00 -1.54 0.00 0.00 39.78 38.53 3hrg n ASN 114 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hrg n ASN 115 N 0.99 -5.03 -4.12 6.41 3.02 -0.53 -4.78 115.26 111.23 3hrg n ASN 115 Ca 0.16 -0.75 -0.09 0.00 -0.03 0.00 0.00 54.58 53.87 3hrg n ASN 115 Cb 0.52 -4.01 -0.10 0.00 -0.61 0.00 0.00 39.78 35.58 3hrg n ASN 115 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hrg s VAL 116 N -3.30 0.14 -0.02 2.41 -7.23 -1.10 -1.06 120.40 110.24 3hrg s VAL 116 Ca 0.66 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 3hrg s VAL 116 Cb -0.33 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 3hrg s VAL 116 CO 0.82 -0.65 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.12 3hrg s VAL 117 N -4.00 1.22 -0.24 1.32 1.01 0.40 -0.38 120.40 119.73 3hrg s VAL 117 Ca 0.18 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3hrg s VAL 117 Cb 0.08 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3hrg s VAL 117 CO -0.02 0.35 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 3hrg s ILE 118 N -0.30 3.25 -0.20 2.22 -1.09 -0.39 -1.09 121.20 123.61 3hrg s ILE 118 Ca 0.05 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 3hrg s ILE 118 Cb -0.07 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 3hrg s ILE 118 CO -0.00 0.31 0.17 -0.63 -1.23 0.00 0.00 174.94 173.56 3hrg s ILE 119 N 1.43 5.38 0.01 2.92 1.01 -0.13 -0.65 121.20 131.17 3hrg s ILE 119 Ca 0.04 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 3hrg s ILE 119 Cb -0.15 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 3hrg s ILE 119 CO -0.03 0.42 0.14 0.72 0.00 0.00 0.00 174.94 176.18 3hrg s PHE 120 N 0.48 0.06 0.10 3.97 -0.71 -1.26 -0.49 117.98 120.13 3hrg s PHE 120 Ca 0.10 -0.20 -0.01 0.00 -1.04 0.00 0.00 56.93 55.78 3hrg s PHE 120 Cb -0.12 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3hrg s PHE 120 CO 0.00 -0.31 0.27 0.20 -1.34 0.00 0.00 175.22 174.03 3hrg s GLY 121 N -1.56 2.10 -0.01 1.99 0.00 -0.81 -4.40 107.32 104.63 3hrg s GLY 121 Ca -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 3hrg s GLY 121 CO 0.00 -0.78 0.02 -1.50 0.00 0.00 0.00 173.10 170.84 3hrg s ILE 122 N -1.60 -0.01 0.23 0.90 2.07 -0.16 -4.96 121.20 117.68 3hrg s ILE 122 Ca 0.36 0.02 -0.32 0.00 -1.41 0.00 0.00 60.65 59.31 3hrg s ILE 122 Cb -0.12 -0.04 -0.12 0.00 0.13 0.00 0.00 42.46 42.30 3hrg s ILE 122 CO 0.28 0.01 1.62 -0.67 -1.91 0.00 0.00 174.94 174.26 3hrg n ASP 123 N 3.18 3.64 -0.23 4.50 2.03 -1.26 -0.78 116.55 127.64 3hrg n ASP 123 Ca -0.14 1.10 -0.08 0.00 0.52 0.00 0.00 54.79 56.20 3hrg n ASP 123 Cb 0.59 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 39.49 3hrg n ASP 123 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3hrg h LYS 124 N 5.63 1.07 -0.89 -0.67 3.64 -1.39 -0.72 116.57 123.25 3hrg h LYS 124 Ca -0.45 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 58.66 3hrg h LYS 124 Cb 1.23 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3hrg h LYS 124 CO 0.86 0.99 0.59 0.77 -2.27 0.00 0.00 179.45 180.39 3hrg h SER 125 N 0.99 1.02 -0.12 4.20 0.02 -1.91 -0.32 113.55 117.43 3hrg h SER 125 Ca 0.20 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3hrg h SER 125 Cb 0.43 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hrg h SER 125 CO 0.01 0.74 0.04 0.74 -1.14 0.00 0.00 176.83 177.22 3hrg h THR 126 N 1.21 1.17 -0.32 -2.27 2.02 -1.85 -1.88 112.91 110.99 3hrg h THR 126 Ca 0.33 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 67.02 3hrg h THR 126 Cb -0.14 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3hrg h THR 126 CO -0.07 0.15 0.13 0.22 0.37 0.00 0.00 175.52 176.33 3hrg h TYR 127 N 0.02 0.24 -0.58 3.16 3.20 -0.89 -0.85 116.97 121.26 3hrg h TYR 127 Ca 0.04 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3hrg h TYR 127 Cb 0.20 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3hrg h TYR 127 CO -0.01 0.12 0.34 1.15 -1.64 0.00 0.00 178.16 178.12 3hrg h THR 128 N 0.29 1.02 -0.15 1.81 2.02 -1.01 0.11 112.91 117.00 3hrg h THR 128 Ca 0.14 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3hrg h THR 128 Cb 0.08 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3hrg h THR 128 CO -0.12 0.12 0.04 0.15 0.37 0.00 0.00 175.52 176.08 3hrg h PHE 129 N 0.65 0.25 -0.35 3.16 3.57 -1.09 -2.32 116.94 120.81 3hrg h PHE 129 Ca 0.24 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3hrg h PHE 129 Cb 0.08 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hrg h PHE 129 CO -0.07 0.38 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.19 3hrg h LEU 130 N 0.05 0.60 -1.27 0.59 3.38 -0.81 -2.57 115.31 115.28 3hrg h LEU 130 Ca 0.05 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3hrg h LEU 130 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hrg h LEU 130 CO -0.00 0.76 -0.31 -1.13 0.09 0.00 0.00 178.44 177.84 3hrg h ASN 131 N 0.56 0.08 -0.32 -0.43 -1.24 -0.71 0.24 115.58 113.76 3hrg h ASN 131 Ca 0.10 -0.03 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 3hrg h ASN 131 Cb 0.54 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 3hrg h ASN 131 CO 0.03 0.40 -0.28 -0.33 -1.29 0.00 0.00 177.43 175.96 3hrg h GLU 132 N 0.07 0.75 -0.16 6.67 5.08 -1.06 -2.78 114.58 123.16 3hrg h GLU 132 Ca 0.01 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 3hrg h GLU 132 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hrg h GLU 132 CO 0.04 1.01 -0.42 1.96 -1.00 0.00 0.00 179.01 180.60 3hrg h GLN 133 N 0.52 0.57 -2.86 2.33 1.08 -1.09 -3.41 115.11 112.25 3hrg h GLN 133 Ca 0.05 -0.40 -0.61 0.00 -1.45 0.00 0.00 58.65 56.25 3hrg h GLN 133 Cb 0.85 0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 27.95 3hrg h GLN 133 CO 0.07 1.02 -0.77 0.71 -0.95 0.00 0.00 178.83 178.91 3hrg s TYR 134 N -3.93 1.92 0.62 2.96 2.02 0.81 -5.00 117.35 116.74 3hrg s TYR 134 Ca -0.13 -2.45 0.34 0.00 -0.37 0.00 0.00 57.07 54.46 3hrg s TYR 134 Cb 0.07 -1.74 1.93 0.00 -0.40 0.00 0.00 41.96 41.82 3hrg s TYR 134 CO 0.82 -0.76 2.21 -1.35 -1.57 0.00 0.00 175.55 174.91 3hrg h PRO 135 N 6.40 0.00 -0.22 -1.71 0.11 -1.72 -2.20 132.00 132.67 3hrg h PRO 135 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3hrg h PRO 135 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3hrg h PRO 135 CO 0.47 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.64 3hrg n GLU 136 N -3.54 2.40 -1.82 1.05 4.71 -1.26 -5.03 120.64 117.15 3hrg n GLU 136 Ca -0.02 -2.85 -0.38 0.00 -0.01 0.00 0.00 57.16 53.91 3hrg n GLU 136 Cb 0.18 -1.77 0.05 0.00 -1.01 0.00 0.00 31.44 28.88 3hrg n GLU 136 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hrg s ALA 137 N -2.91 2.65 -0.24 0.62 0.00 -0.83 -4.76 121.76 116.29 3hrg s ALA 137 Ca 0.40 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 3hrg s ALA 137 Cb 0.34 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3hrg s ALA 137 CO 0.06 -1.38 0.24 1.03 0.00 0.00 0.00 175.76 175.71 3hrg s ARG 138 N -3.11 4.08 -0.18 0.00 1.81 0.26 -5.00 118.95 116.81 3hrg s ARG 138 Ca 0.76 -0.13 -0.08 0.00 -1.72 0.00 0.00 55.73 54.55 3hrg s ARG 138 Cb -0.38 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.52 3hrg s ARG 138 CO 0.42 -0.01 0.09 -0.06 -0.68 0.00 0.00 175.30 175.06 3hrg s PHE 139 N 1.27 3.33 0.06 -0.53 0.40 -1.26 -0.46 117.98 120.79 3hrg s PHE 139 Ca 0.11 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.68 3hrg s PHE 139 Cb -0.14 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 3hrg s PHE 139 CO 0.06 0.26 -0.12 0.71 0.70 0.00 0.00 175.22 176.83 3hrg s TYR 140 N 0.22 1.07 0.39 0.36 2.02 0.11 -4.89 117.35 116.62 3hrg s TYR 140 Ca 0.06 -0.48 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 3hrg s TYR 140 Cb -0.12 -0.61 -0.09 0.00 -0.40 0.00 0.00 41.96 40.74 3hrg s TYR 140 CO -0.00 0.02 1.06 0.45 -1.57 0.00 0.00 175.55 175.51 3hrg s SER 141 N -1.72 6.78 0.48 2.29 0.15 -1.26 -0.84 113.70 119.59 3hrg s SER 141 Ca -0.04 2.07 0.13 0.00 0.70 0.00 0.00 55.95 58.82 3hrg s SER 141 Cb -0.10 -2.59 1.13 0.00 -1.71 0.00 0.00 66.02 62.75 3hrg s SER 141 CO 0.02 -0.48 2.12 -0.61 1.20 0.00 0.00 173.24 175.49 3hrg h GLN 142 N 2.61 0.17 -0.06 5.44 4.15 -1.53 -1.99 115.11 123.89 3hrg h GLN 142 Ca -0.48 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 58.95 3hrg h GLN 142 Cb 1.22 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 3hrg h GLN 142 CO 0.63 0.12 0.05 0.77 -1.93 0.00 0.00 178.83 178.47 3hrg h SER 143 N 0.18 0.00 0.84 -0.69 0.02 -1.92 -3.01 113.55 108.97 3hrg h SER 143 Ca 0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3hrg h SER 143 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hrg h SER 143 CO -0.01 0.00 -0.40 0.74 -1.14 0.00 0.00 176.83 176.02 3hrg h THR 144 N 0.00 0.00 -0.06 -2.27 2.02 -1.74 -0.39 112.91 110.48 3hrg h THR 144 Ca 0.03 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3hrg h THR 144 Cb 0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3hrg h THR 144 CO -0.00 0.00 -0.16 1.55 0.37 0.00 0.00 175.52 177.28 3hrg h PRO 145 N -1.17 0.09 -0.51 6.66 0.13 -1.73 -2.58 132.00 132.89 3hrg h PRO 145 Ca -0.12 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 3hrg h PRO 145 Cb 0.86 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 3hrg h PRO 145 CO 0.19 0.25 0.16 -0.07 -0.23 0.00 0.00 178.00 178.30 3hrg h LEU 146 N 0.08 0.74 -0.43 1.56 3.38 -1.38 -1.46 115.31 117.80 3hrg h LEU 146 Ca 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3hrg h LEU 146 Cb 0.34 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hrg h LEU 146 CO 0.02 0.75 0.12 0.40 0.09 0.00 0.00 178.44 179.82 3hrg h ILE 147 N 0.69 1.23 -0.56 1.22 2.04 -0.93 0.13 117.51 121.32 3hrg h ILE 147 Ca 0.16 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3hrg h ILE 147 Cb 0.28 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3hrg h ILE 147 CO -0.00 0.27 0.33 -0.33 0.00 0.00 0.00 178.15 178.42 3hrg h GLU 148 N 0.55 0.76 0.27 2.37 5.08 -1.33 0.95 114.58 123.23 3hrg h GLU 148 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hrg h GLU 148 Cb 0.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hrg h GLU 148 CO -0.00 0.55 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.51 3hrg h TYR 149 N 0.75 -0.34 -0.24 4.33 3.20 -1.06 -3.08 116.97 120.53 3hrg h TYR 149 Ca 0.20 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3hrg h TYR 149 Cb -0.01 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3hrg h TYR 149 CO -0.02 -0.04 -0.05 0.74 -1.64 0.00 0.00 178.16 177.15 3hrg h PHE 150 N -0.64 0.38 -0.63 -3.82 0.04 -0.69 -2.21 116.94 109.38 3hrg h PHE 150 Ca -0.04 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.77 3hrg h PHE 150 Cb 0.45 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 3hrg h PHE 150 CO 0.01 0.43 0.30 1.03 -0.60 0.00 0.00 178.31 179.48 3hrg h SER 151 N 0.36 0.40 -0.20 2.17 0.87 -0.80 0.42 113.55 116.77 3hrg h SER 151 Ca 0.08 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 3hrg h SER 151 Cb 0.32 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3hrg h SER 151 CO 0.01 0.25 -0.25 0.40 -0.53 0.00 0.00 176.83 176.71 3hrg h ILE 152 N 0.54 1.33 -0.15 2.23 2.04 -1.38 -3.02 117.51 119.11 3hrg h ILE 152 Ca 0.30 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3hrg h ILE 152 Cb 0.27 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3hrg h ILE 152 CO -0.23 0.44 -0.03 0.11 0.00 0.00 0.00 178.15 178.43 3hrg h LYS 153 N 0.18 0.21 0.00 2.37 1.79 -1.05 -2.80 116.57 117.28 3hrg h LYS 153 Ca 0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3hrg h LYS 153 Cb 0.81 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3hrg h LYS 153 CO 0.06 0.27 0.00 -1.13 -1.08 0.00 0.00 179.45 177.57 3hrg n SER 154 N -4.38 0.42 0.25 0.86 3.41 0.11 -3.15 113.62 111.14 3hrg n SER 154 Ca -0.01 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 3hrg n SER 154 Cb 0.19 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 63.98 3hrg n SER 154 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hrg h ARG 155 N 0.00 0.00 -6.25 4.33 3.08 -1.56 -3.40 114.38 110.58 3hrg h ARG 155 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3hrg h ARG 155 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3hrg h ARG 155 CO 0.00 0.09 0.95 -1.17 -1.07 0.00 0.00 179.97 178.77 3hrg s LEU 156 N -6.41 4.02 0.00 3.04 2.96 -1.19 -4.74 118.68 116.36 3hrg s LEU 156 Ca 0.02 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3hrg s LEU 156 Cb 0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3hrg s LEU 156 CO 0.60 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 3hrg n GLY 157 N 4.02 -1.38 0.00 7.98 0.00 -1.26 -4.80 105.19 109.74 3hrg n GLY 157 Ca 0.15 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 45.01 3hrg n GLY 157 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hrg n ASN 158 N -0.61 0.00 -4.80 1.61 5.15 -1.26 -4.86 115.26 110.48 3hrg n ASN 158 Ca 0.00 -0.46 -0.32 0.00 -0.60 0.00 0.00 54.58 53.20 3hrg n ASN 158 Cb 0.00 -0.09 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 3hrg n ASN 158 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3hrg s SER 159 N -2.18 5.68 0.54 1.20 1.04 -1.26 -4.85 113.70 113.87 3hrg s SER 159 Ca 0.28 1.81 -0.16 0.00 0.48 0.00 0.00 55.95 58.36 3hrg s SER 159 Cb 0.14 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 3hrg s SER 159 CO 0.26 -1.24 1.00 -0.54 0.98 0.00 0.00 173.24 173.71 3hrg s LYS 160 N -4.19 3.80 0.00 4.02 1.02 -1.26 -4.64 119.74 118.49 3hrg s LYS 160 Ca 0.63 0.97 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3hrg s LYS 160 Cb -0.16 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3hrg s LYS 160 CO 0.39 -0.39 0.00 1.63 -0.92 0.00 0.00 175.35 176.06 3hrg n LYS 161 N -1.78 0.71 -3.38 1.68 5.02 -0.34 -1.55 118.16 118.51 3hrg n LYS 161 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.38 3hrg n LYS 161 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.50 3hrg n LYS 161 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hrg s TYR 163 N -1.05 -0.28 -0.17 2.13 2.02 0.57 -0.43 117.35 120.15 3hrg s TYR 163 Ca 0.00 0.50 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 3hrg s TYR 163 Cb 0.00 0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.74 3hrg s TYR 163 CO 0.00 -0.14 -0.19 0.00 -1.57 0.00 0.00 175.55 173.65 3hrg s ALA 164 N 1.87 2.36 -0.38 3.71 0.00 -0.04 -0.84 121.76 128.44 3hrg s ALA 164 Ca -0.03 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3hrg s ALA 164 Cb -0.03 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3hrg s ALA 164 CO -0.15 -0.23 0.21 0.45 0.00 0.00 0.00 175.76 176.04 3hrg s SER 165 N 1.11 5.72 -0.16 0.00 0.15 0.15 -1.22 113.70 119.45 3hrg s SER 165 Ca 0.00 -1.02 -0.19 0.00 0.70 0.00 0.00 55.95 55.44 3hrg s SER 165 Cb -0.14 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 3hrg s SER 165 CO -0.08 -0.39 0.55 -0.69 1.20 0.00 0.00 173.24 173.84 3hrg s VAL 166 N 1.54 5.10 0.43 4.45 1.01 0.42 -1.22 120.40 132.13 3hrg s VAL 166 Ca 0.02 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.13 3hrg s VAL 166 Cb -0.19 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3hrg s VAL 166 CO 0.06 0.21 0.14 -0.13 0.00 0.00 0.00 175.10 175.38 3hrg s ARG 167 N 1.36 2.16 0.17 2.72 0.52 0.72 -4.26 118.95 122.34 3hrg s ARG 167 Ca 0.27 -1.96 -0.17 0.00 -0.52 0.00 0.00 55.73 53.35 3hrg s ARG 167 Cb -0.16 -1.87 0.12 0.00 0.52 0.00 0.00 34.95 33.56 3hrg s ARG 167 CO 0.11 -0.15 1.65 -0.22 0.02 0.00 0.00 175.30 176.71 3hrg h LYS 168 N 1.46 -0.06 -0.25 3.54 3.64 -1.92 -3.21 116.57 119.77 3hrg h LYS 168 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3hrg h LYS 168 Cb 1.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3hrg h LYS 168 CO 0.72 -0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 177.46 3hrg n ASP 169 N -5.36 2.66 -3.46 4.20 5.75 -1.26 -4.83 116.55 114.25 3hrg n ASP 169 Ca 0.03 -1.95 -0.10 0.00 -0.01 0.00 0.00 54.79 52.75 3hrg n ASP 169 Cb 0.27 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 3hrg n ASP 169 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hrg s ALA 170 N -0.98 -1.70 -0.11 2.12 0.00 -0.80 -1.48 121.76 118.81 3hrg s ALA 170 Ca 0.18 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.89 3hrg s ALA 170 Cb 0.09 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.89 3hrg s ALA 170 CO 0.12 -0.73 -0.19 -1.50 0.00 0.00 0.00 175.76 173.46 3hrg s ILE 171 N -3.46 1.73 -0.25 0.00 2.07 -0.48 -0.20 121.20 120.61 3hrg s ILE 171 Ca 0.03 -0.80 -0.10 0.00 -1.41 0.00 0.00 60.65 58.37 3hrg s ILE 171 Cb -0.01 -1.54 -0.05 0.00 0.13 0.00 0.00 42.46 41.00 3hrg s ILE 171 CO -0.11 0.49 0.15 -1.81 -1.91 0.00 0.00 174.94 171.74 3hrg s ASP 172 N 0.74 5.89 -0.12 4.50 1.01 -0.36 -1.17 116.67 127.16 3hrg s ASP 172 Ca -0.11 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.19 3hrg s ASP 172 Cb -0.16 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 3hrg s ASP 172 CO 0.02 0.03 -0.17 -0.63 0.21 0.00 0.00 175.17 174.62 3hrg s ILE 173 N 1.28 2.63 -0.14 0.77 1.01 0.61 -0.67 121.20 126.70 3hrg s ILE 173 Ca 0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3hrg s ILE 173 Cb -0.14 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hrg s ILE 173 CO 0.06 0.54 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 3hrg s TYR 174 N 0.41 1.42 -0.01 3.97 2.02 -0.02 -1.56 117.35 123.58 3hrg s TYR 174 Ca -0.13 -0.83 0.05 0.00 -0.37 0.00 0.00 57.07 55.79 3hrg s TYR 174 Cb -0.17 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 3hrg s TYR 174 CO 0.06 -0.54 -0.15 0.00 -1.57 0.00 0.00 175.55 173.35 3hrg s PHE 176 N -0.83 0.35 -0.17 0.00 0.40 0.42 -0.28 117.98 117.88 3hrg s PHE 176 Ca 0.13 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 55.71 3hrg s PHE 176 Cb -0.11 -0.26 0.05 0.00 0.51 0.00 0.00 43.02 43.22 3hrg s PHE 176 CO 0.03 -0.28 0.03 -2.00 0.70 0.00 0.00 175.22 173.69 3hrg s GLU 177 N -2.53 0.64 -1.36 0.44 2.12 -0.59 -1.20 118.70 116.22 3hrg s GLU 177 Ca -0.06 -0.30 -0.12 0.00 0.36 0.00 0.00 54.97 54.85 3hrg s GLU 177 Cb -0.02 -1.86 0.01 0.00 0.26 0.00 0.00 34.13 32.52 3hrg s GLU 177 CO -0.05 -0.57 0.41 2.89 -0.54 0.00 0.00 175.26 177.40 3hrg n ARG 178 N 5.07 -1.44 -0.13 4.30 -4.01 -1.26 -0.48 116.66 118.70 3hrg n ARG 178 Ca -0.09 0.22 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 3hrg n ARG 178 Cb 0.48 -3.64 0.00 0.00 -3.04 0.00 0.00 32.46 26.26 3hrg n ARG 178 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3hrg n GLY 179 N -2.16 2.72 3.69 2.89 0.00 -1.26 -4.89 105.19 106.17 3hrg n GLY 179 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3hrg n GLY 179 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hrg s GLN 180 N -0.01 4.26 -0.07 1.61 -0.44 0.37 -4.84 119.66 120.54 3hrg s GLN 180 Ca 0.00 0.37 -0.30 0.00 -2.50 0.00 0.00 55.36 52.93 3hrg s GLN 180 Cb 0.00 -3.50 -0.04 0.00 -1.64 0.00 0.00 33.01 27.84 3hrg s GLN 180 CO 0.00 0.02 1.31 -1.17 0.50 0.00 0.00 175.29 175.95 3hrg s LEU 181 N 1.08 4.27 -0.15 3.68 2.96 -1.26 -1.54 118.68 127.70 3hrg s LEU 181 Ca 0.23 1.90 0.15 0.00 -0.22 0.00 0.00 54.13 56.20 3hrg s LEU 181 Cb -0.15 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 3hrg s LEU 181 CO 0.09 -0.70 0.24 0.18 -1.32 0.00 0.00 176.35 174.85 3hrg n LEU 182 N 5.77 0.45 -3.62 -0.68 4.77 0.62 -4.97 117.00 119.34 3hrg n LEU 182 Ca 0.13 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3hrg n LEU 182 Cb 0.45 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3hrg n LEU 182 CO 0.57 0.49 0.62 -0.22 -1.33 0.00 0.00 177.39 177.52 3hrg s LEU 183 N -5.75 -0.55 -0.15 2.23 0.20 -1.20 -4.99 118.68 108.46 3hrg s LEU 183 Ca -0.10 0.99 -0.04 0.00 0.69 0.00 0.00 54.13 55.67 3hrg s LEU 183 Cb 0.07 2.12 0.06 0.00 -0.43 0.00 0.00 46.19 48.01 3hrg s LEU 183 CO 0.82 -0.24 0.11 0.00 -0.29 0.00 0.00 176.35 176.75 3hrg s ALA 184 N 0.03 0.26 0.07 5.97 0.00 -1.26 -1.07 121.76 125.77 3hrg s ALA 184 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 3hrg s ALA 184 Cb -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3hrg s ALA 184 CO -0.02 -1.06 0.23 -0.80 0.00 0.00 0.00 175.76 174.11 3hrg s ASN 185 N 2.18 0.03 0.02 0.00 -0.87 -0.60 -4.92 114.94 110.77 3hrg s ASN 185 Ca 0.03 -0.48 0.07 0.00 -1.57 0.00 0.00 52.86 50.90 3hrg s ASN 185 Cb -0.15 0.34 -0.02 0.00 -0.02 0.00 0.00 41.25 41.40 3hrg s ASN 185 CO -0.09 -0.68 -0.20 -0.55 -2.57 0.00 0.00 177.10 173.02 3hrg s SER 186 N -2.55 2.33 -0.04 -1.22 0.15 -1.26 -0.29 113.70 110.83 3hrg s SER 186 Ca 0.01 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3hrg s SER 186 Cb 0.02 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 3hrg s SER 186 CO -0.08 0.19 -0.12 -0.36 1.20 0.00 0.00 173.24 174.07 3hrg s PHE 187 N -0.64 1.28 0.01 3.44 0.40 -0.32 -4.98 117.98 117.17 3hrg s PHE 187 Ca 0.07 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 3hrg s PHE 187 Cb -0.08 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.49 3hrg s PHE 187 CO 0.01 -0.16 1.39 -2.00 0.70 0.00 0.00 175.22 175.16 3hrg s GLU 188 N 0.26 4.29 0.14 0.44 2.12 -1.26 -1.38 118.70 123.31 3hrg s GLU 188 Ca -0.06 1.96 -0.24 0.00 0.36 0.00 0.00 54.97 56.99 3hrg s GLU 188 Cb -0.11 -3.54 0.08 0.00 0.26 0.00 0.00 34.13 30.82 3hrg s GLU 188 CO 0.02 -0.55 1.05 0.00 -0.54 0.00 0.00 175.26 175.24 3hrg n GLN 191 N -0.62 0.00 -0.21 0.00 10.64 -1.26 -1.91 117.38 124.02 3hrg n GLN 191 Ca -0.04 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.14 3hrg n GLN 191 Cb 0.60 -0.20 0.11 0.00 -0.86 0.00 0.00 30.24 29.89 3hrg n GLN 191 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3hrg h THR 192 N -0.20 0.46 -0.93 -0.39 2.02 -1.95 -1.29 112.91 110.62 3hrg h THR 192 Ca -0.08 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3hrg h THR 192 Cb 0.28 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3hrg h THR 192 CO 0.04 0.02 0.59 1.05 0.37 0.00 0.00 175.52 177.60 3hrg h GLU 193 N 0.11 1.25 0.02 6.66 4.11 -1.99 -1.50 114.58 123.23 3hrg h GLU 193 Ca 0.34 -0.09 -0.22 0.00 0.07 0.00 0.00 59.36 59.46 3hrg h GLU 193 Cb 0.55 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hrg h GLU 193 CO -0.56 0.85 -0.96 -0.44 0.07 0.00 0.00 179.01 177.96 3hrg h ASP 194 N 1.28 0.33 -0.13 3.06 3.32 -1.78 -1.88 116.42 120.60 3hrg h ASP 194 Ca 0.34 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hrg h ASP 194 Cb -0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3hrg h ASP 194 CO -0.07 1.11 0.09 0.03 -1.72 0.00 0.00 179.24 178.68 3hrg h ARG 195 N 0.12 0.18 -0.74 3.56 3.08 -0.92 -2.03 114.38 117.64 3hrg h ARG 195 Ca -0.06 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hrg h ARG 195 Cb 1.62 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 3hrg h ARG 195 CO 0.15 0.14 0.38 0.82 -1.07 0.00 0.00 179.97 180.40 3hrg h ILE 196 N 0.17 1.23 -0.38 2.04 2.04 -1.30 -2.21 117.51 119.09 3hrg h ILE 196 Ca 0.05 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3hrg h ILE 196 Cb 0.00 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 3hrg h ILE 196 CO -0.01 0.26 0.00 0.22 0.00 0.00 0.00 178.15 178.62 3hrg h TYR 197 N 1.02 -0.02 -0.07 1.37 3.20 -1.06 -0.37 116.97 121.04 3hrg h TYR 197 Ca 0.26 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.97 3hrg h TYR 197 Cb 0.07 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3hrg h TYR 197 CO 0.00 -0.07 -0.72 1.88 -1.64 0.00 0.00 178.16 177.61 3hrg h TYR 198 N 0.10 0.51 -0.36 -3.82 0.05 -1.21 -0.93 116.97 111.32 3hrg h TYR 198 Ca 0.19 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3hrg h TYR 198 Cb 0.26 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3hrg h TYR 198 CO -0.26 0.97 0.14 -0.07 -1.05 0.00 0.00 178.16 177.89 3hrg h LEU 199 N 0.26 0.50 -0.69 3.88 3.38 -1.05 -1.61 115.31 119.98 3hrg h LEU 199 Ca -0.03 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 3hrg h LEU 199 Cb 1.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hrg h LEU 199 CO 0.12 0.54 -0.56 -0.07 0.09 0.00 0.00 178.44 178.56 3hrg h LEU 200 N 0.43 0.32 0.17 1.67 3.38 -1.04 -1.64 115.31 118.60 3hrg h LEU 200 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hrg h LEU 200 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hrg h LEU 200 CO -0.01 0.81 -0.08 0.22 0.09 0.00 0.00 178.44 179.47 3hrg h TYR 201 N 0.22 -0.21 -0.59 1.13 3.20 -0.92 -1.80 116.97 117.99 3hrg h TYR 201 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3hrg h TYR 201 Cb 1.05 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 3hrg h TYR 201 CO 0.02 -0.10 0.11 0.28 -1.64 0.00 0.00 178.16 176.83 3hrg h VAL 202 N -0.27 1.25 -0.46 1.81 2.07 -1.22 -0.32 116.25 119.10 3hrg h VAL 202 Ca -0.02 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.61 3hrg h VAL 202 Cb 0.21 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3hrg h VAL 202 CO 0.04 0.35 0.20 -0.25 0.02 0.00 0.00 177.57 177.93 3hrg h TRP 203 N 0.90 0.36 -0.35 1.57 2.91 -1.17 -1.65 115.95 118.53 3hrg h TRP 203 Ca 0.19 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.13 3hrg h TRP 203 Cb 0.37 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 3hrg h TRP 203 CO 0.02 0.16 -0.18 -0.22 -1.03 0.00 0.00 178.44 177.20 3hrg h LYS 204 N 0.40 0.73 -0.80 2.65 3.64 -1.05 -1.14 116.57 121.01 3hrg h LYS 204 Ca 0.21 -0.32 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3hrg h LYS 204 Cb 0.16 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 3hrg h LYS 204 CO -0.18 0.93 0.47 0.37 -2.27 0.00 0.00 179.45 178.78 3hrg h GLN 205 N 0.51 0.81 -0.16 1.90 4.15 -0.74 -2.15 115.11 119.43 3hrg h GLN 205 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3hrg h GLN 205 Cb 0.72 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3hrg h GLN 205 CO 0.05 0.54 0.00 1.28 -1.93 0.00 0.00 178.83 178.77 3hrg n LEU 206 N -4.71 1.83 -3.79 -2.39 4.77 -0.65 -4.94 117.00 107.13 3hrg n LEU 206 Ca 0.12 -0.75 -0.26 0.00 -0.03 0.00 0.00 56.01 55.09 3hrg n LEU 206 Cb 0.21 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hrg n LEU 206 CO 0.29 0.37 0.08 -0.62 -1.33 0.00 0.00 177.39 176.19 3hrg n GLU 207 N 0.43 -5.81 -2.03 3.23 1.02 -0.81 -4.95 120.64 111.72 3hrg n GLU 207 Ca 0.17 0.65 -0.37 0.00 -0.02 0.00 0.00 57.16 57.58 3hrg n GLU 207 Cb 0.36 -5.49 0.02 0.00 -0.02 0.00 0.00 31.44 26.31 3hrg n GLU 207 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hrg s PHE 208 N -3.41 2.57 -0.26 -0.32 0.40 -0.45 -4.97 117.98 111.54 3hrg s PHE 208 Ca 0.44 1.47 -0.24 0.00 -0.60 0.00 0.00 56.93 58.00 3hrg s PHE 208 Cb -0.22 -3.56 -0.00 0.00 0.51 0.00 0.00 43.02 39.75 3hrg s PHE 208 CO 0.81 -2.16 0.81 1.21 0.70 0.00 0.00 175.22 176.58 3hrg s ASN 209 N -1.22 6.78 0.56 1.36 3.84 -1.26 -4.88 114.94 120.12 3hrg s ASN 209 Ca 0.68 0.94 0.24 0.00 0.21 0.00 0.00 52.86 54.94 3hrg s ASN 209 Cb -0.34 -2.42 1.55 0.00 -0.55 0.00 0.00 41.25 39.49 3hrg s ASN 209 CO 0.40 -0.53 2.16 1.56 -2.79 0.00 0.00 177.10 177.91 3hrg h GLN 210 N 7.78 0.00 0.06 0.43 4.20 -1.90 -1.86 115.11 123.81 3hrg h GLN 210 Ca -0.23 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.20 3hrg h GLN 210 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 3hrg h GLN 210 CO 0.87 0.00 -1.49 1.49 -0.67 0.00 0.00 178.83 179.03 3hrg h GLU 211 N 0.00 0.13 0.08 1.46 4.57 -1.93 -2.32 114.58 116.58 3hrg h GLU 211 Ca 0.04 -0.23 -0.27 0.00 -1.18 0.00 0.00 59.36 57.72 3hrg h GLU 211 Cb 0.19 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3hrg h GLU 211 CO -0.00 1.11 -1.43 -0.09 -1.18 0.00 0.00 179.01 177.42 3hrg h ARG 212 N -0.53 0.18 -7.33 1.92 9.65 -1.98 -3.43 114.38 112.86 3hrg h ARG 212 Ca -0.35 -0.31 -0.51 0.00 -1.10 0.00 0.00 59.98 57.71 3hrg h ARG 212 Cb 1.62 0.11 0.10 0.00 -1.39 0.00 0.00 29.97 30.41 3hrg h ARG 212 CO -0.06 1.15 0.36 -0.51 2.80 0.00 0.00 179.97 183.71 3hrg s ASP 213 N -6.96 5.21 0.03 -3.80 1.01 -0.71 -4.77 116.67 106.68 3hrg s ASP 213 Ca -0.22 1.66 0.08 0.00 0.71 0.00 0.00 52.55 54.77 3hrg s ASP 213 Cb 0.05 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 3hrg s ASP 213 CO 0.72 -1.56 -0.23 -1.61 0.21 0.00 0.00 175.17 172.70 3hrg s GLU 214 N -5.02 1.62 -0.17 8.23 2.02 -0.60 -4.38 118.70 120.40 3hrg s GLU 214 Ca 0.59 -0.95 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 3hrg s GLU 214 Cb -0.15 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 3hrg s GLU 214 CO 0.55 0.45 -0.08 -1.17 0.02 0.00 0.00 175.26 175.02 3hrg s LEU 215 N -1.01 2.84 -0.17 1.80 2.96 -0.53 -4.37 118.68 120.20 3hrg s LEU 215 Ca 0.09 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3hrg s LEU 215 Cb -0.09 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3hrg s LEU 215 CO 0.01 0.08 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.94 3hrg s HIS 216 N 0.87 2.76 -0.04 5.38 3.76 -1.26 -0.58 115.29 126.18 3hrg s HIS 216 Ca -0.02 -1.36 0.02 0.00 -0.15 0.00 0.00 55.06 53.55 3hrg s HIS 216 Cb -0.15 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 3hrg s HIS 216 CO 0.01 -0.66 -0.08 -0.51 -0.85 0.00 0.00 174.74 172.65 3hrg s LEU 217 N 1.06 3.08 0.12 0.89 1.43 -0.09 -0.86 118.68 124.31 3hrg s LEU 217 Ca -0.01 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 3hrg s LEU 217 Cb -0.14 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3hrg s LEU 217 CO -0.06 0.33 0.25 0.28 0.23 0.00 0.00 176.35 177.38 3hrg s THR 218 N -0.87 0.10 0.00 5.49 -1.32 -0.36 -4.45 115.64 114.24 3hrg s THR 218 Ca 0.14 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 3hrg s THR 218 Cb -0.11 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 3hrg s THR 218 CO 0.04 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.58 3hrg n GLY 219 N -0.14 2.32 3.63 6.08 0.00 -0.75 -0.44 105.19 115.89 3hrg n GLY 219 Ca -0.12 -1.83 -0.49 0.00 0.00 0.00 0.00 46.02 43.58 3hrg n GLY 219 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hrg n THR 220 N 1.72 0.46 -3.35 2.61 -1.04 -1.25 -4.79 114.28 108.64 3hrg n THR 220 Ca 0.00 -0.17 -0.46 0.00 -2.04 0.00 0.00 64.05 61.39 3hrg n THR 220 Cb 0.00 -1.85 -0.05 0.00 -1.82 0.00 0.00 70.33 66.61 3hrg n THR 220 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hrg s LEU 221 N 5.13 6.26 0.51 -4.42 1.43 -1.26 -4.85 118.68 121.49 3hrg s LEU 221 Ca 0.97 -2.05 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 3hrg s LEU 221 Cb -0.72 -2.18 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 3hrg s LEU 221 CO 0.51 -0.76 1.04 -0.94 0.23 0.00 0.00 176.35 176.43 3hrg s SER 222 N 3.09 6.22 -1.44 2.29 1.04 -1.26 -3.40 113.70 120.24 3hrg s SER 222 Ca 0.07 1.90 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 3hrg s SER 222 Cb -0.25 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.37 3hrg s SER 222 CO -0.00 -0.87 0.97 -0.67 0.98 0.00 0.00 173.24 173.65 3hrg n ASP 223 N -1.22 -4.25 -0.17 7.02 2.03 -1.26 -4.86 116.55 113.83 3hrg n ASP 223 Ca 0.09 -0.73 -0.04 0.00 0.52 0.00 0.00 54.79 54.63 3hrg n ASP 223 Cb 0.53 -4.22 0.05 0.00 -0.72 0.00 0.00 41.12 36.76 3hrg n ASP 223 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3hrg h LYS 224 N -2.17 0.49 -0.42 -0.67 3.64 -1.99 -1.81 116.57 113.65 3hrg h LYS 224 Ca -0.59 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.81 3hrg h LYS 224 Cb 1.37 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3hrg h LYS 224 CO 0.62 0.32 0.18 1.49 -2.27 0.00 0.00 179.45 179.80 3hrg h GLU 225 N 0.50 0.36 -0.24 1.90 4.81 -1.91 -2.56 114.58 117.45 3hrg h GLU 225 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3hrg h GLU 225 Cb 0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3hrg h GLU 225 CO -0.16 0.24 0.02 1.15 -0.73 0.00 0.00 179.01 179.53 3hrg h THR 226 N 0.37 1.24 0.00 0.32 2.02 -1.90 -0.90 112.91 114.06 3hrg h THR 226 Ca 0.19 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3hrg h THR 226 Cb 0.13 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3hrg h THR 226 CO -0.16 0.26 0.00 -0.11 0.37 0.00 0.00 175.52 175.88 3hrg n LEU 227 N -4.68 0.00 0.00 2.58 7.94 -0.70 -2.02 117.00 120.13 3hrg n LEU 227 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3hrg n LEU 227 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3hrg n LEU 227 CO 0.37 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 177.24 3hrg n ASN 229 N -0.13 0.00 -0.03 1.96 3.02 -0.34 -1.36 115.26 118.38 3hrg n ASN 229 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3hrg n ASN 229 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3hrg n ASN 229 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hrg h GLU 230 N 0.00 0.15 -0.94 3.52 4.39 -1.66 -3.25 114.58 116.79 3hrg h GLU 230 Ca 0.00 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3hrg h GLU 230 Cb 0.00 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 3hrg h GLU 230 CO 0.00 0.68 0.62 -0.07 -1.16 0.00 0.00 179.01 179.08 3hrg h LEU 231 N -0.37 1.01 -0.59 1.33 3.38 -1.47 -2.68 115.31 115.91 3hrg h LEU 231 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hrg h LEU 231 Cb 0.68 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hrg h LEU 231 CO 0.02 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3hrg n LYS 232 N -4.45 0.14 0.19 1.13 5.02 -1.23 -0.66 118.16 118.29 3hrg n LYS 232 Ca 0.13 0.41 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 3hrg n LYS 232 Cb 0.12 -1.78 0.37 0.00 -0.02 0.00 0.00 35.03 33.71 3hrg n LYS 232 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3hrg h LYS 233 N 0.00 0.00 0.00 1.97 1.57 -1.51 -3.36 116.57 115.25 3hrg h LYS 233 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3hrg h LYS 233 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3hrg h LYS 233 CO 0.00 0.38 -1.64 1.19 -0.57 0.00 0.00 179.45 178.80 3hrg n PHE 234 N -3.97 0.00 -3.83 -1.35 3.72 -0.71 -4.94 117.46 106.39 3hrg n PHE 234 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3hrg n PHE 234 Cb 0.42 -0.45 -0.13 0.00 -0.94 0.00 0.00 39.48 38.39 3hrg n PHE 234 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hrg s ILE 235 N -2.23 3.44 -0.19 4.37 1.01 0.16 -4.75 121.20 123.02 3hrg s ILE 235 Ca -0.11 -1.13 0.28 0.00 0.00 0.00 0.00 60.65 59.69 3hrg s ILE 235 Cb 0.03 -2.91 0.36 0.00 0.01 0.00 0.00 42.46 39.96 3hrg s ILE 235 CO 0.32 -0.07 1.78 -0.07 0.00 0.00 0.00 174.94 176.90 3hrg h LEU 236 N 8.13 0.00 -7.40 2.97 3.38 -1.65 -3.38 115.31 117.36 3hrg h LEU 236 Ca -0.25 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.07 3hrg h LEU 236 Cb 1.09 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.43 3hrg h LEU 236 CO 0.58 0.00 -0.60 -1.10 0.09 0.00 0.00 178.44 177.41 3hrg s GLN 237 N -3.42 2.06 -0.09 1.13 -1.52 -1.26 -5.07 119.66 111.49 3hrg s GLN 237 Ca 0.04 -2.64 0.04 0.00 -1.95 0.00 0.00 55.36 50.86 3hrg s GLN 237 Cb 0.07 -3.37 -0.00 0.00 -0.22 0.00 0.00 33.01 29.48 3hrg s GLN 237 CO 0.61 -1.12 -0.24 0.08 -0.25 0.00 0.00 175.29 174.37 3hrg s VAL 238 N -0.30 2.07 0.08 1.09 1.01 -1.26 -1.46 120.40 121.63 3hrg s VAL 238 Ca 0.17 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.17 3hrg s VAL 238 Cb -0.25 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hrg s VAL 238 CO -0.01 0.56 -0.12 -0.36 0.00 0.00 0.00 175.10 175.18 3hrg s PHE 239 N 0.25 1.10 0.37 5.22 0.08 0.25 -4.99 117.98 120.26 3hrg s PHE 239 Ca -0.16 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.41 3hrg s PHE 239 Cb -0.17 -0.61 0.06 0.00 -0.57 0.00 0.00 43.02 41.72 3hrg s PHE 239 CO 0.08 0.03 0.46 -0.89 -0.10 0.00 0.00 175.22 174.80 3hrg n ILE 240 N 1.02 0.00 -3.53 0.64 2.08 -1.26 -0.92 119.36 117.39 3hrg n ILE 240 Ca -0.19 -1.27 -0.06 0.00 0.56 0.00 0.00 62.75 61.78 3hrg n ILE 240 Cb 0.56 -0.59 -0.07 0.00 -0.75 0.00 0.00 39.64 38.78 3hrg n ILE 240 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3hrg s ASN 242 N -3.25 -0.39 0.57 4.38 2.47 -1.26 -4.92 114.94 112.54 3hrg s ASN 242 Ca 0.35 0.89 -0.16 0.00 0.42 0.00 0.00 52.86 54.36 3hrg s ASN 242 Cb -0.03 1.52 -0.05 0.00 -1.45 0.00 0.00 41.25 41.25 3hrg s ASN 242 CO 0.22 -0.25 1.04 -2.16 -3.72 0.00 0.00 177.10 172.23 3hrg s PRO 243 N 2.67 3.50 0.00 0.43 0.04 -1.26 -5.08 135.00 135.29 3hrg s PRO 243 Ca 0.03 1.17 0.31 0.00 0.04 0.00 0.00 61.00 62.55 3hrg s PRO 243 Cb -0.13 -2.06 1.61 0.00 0.04 0.00 0.00 34.50 33.96 3hrg s PRO 243 CO -0.15 -0.66 2.09 0.00 0.04 0.00 0.00 177.00 178.31 3hrg n ALA 244 N -1.83 2.59 -3.42 8.56 0.00 -1.26 -4.78 120.51 120.36 3hrg n ALA 244 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3hrg n ALA 244 Cb 0.53 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3hrg n ALA 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hrg s ASN 245 N -2.35 -0.27 -1.36 0.00 4.22 -1.26 -1.81 114.94 112.10 3hrg s ASN 245 Ca 0.35 -0.51 -0.11 0.00 -2.14 0.00 0.00 52.86 50.46 3hrg s ASN 245 Cb 0.21 0.61 0.08 0.00 1.28 0.00 0.00 41.25 43.44 3hrg s ASN 245 CO 0.43 -1.12 0.56 0.59 -2.04 0.00 0.00 177.10 175.52 3hrg n ASN 246 N -0.37 -3.78 0.24 3.54 3.02 -1.26 -4.86 115.26 111.79 3hrg n ASN 246 Ca -0.08 -0.49 0.09 0.00 -0.03 0.00 0.00 54.58 54.07 3hrg n ASN 246 Cb 0.62 -3.11 0.59 0.00 -0.61 0.00 0.00 39.78 37.27 3hrg n ASN 246 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hrg h ILE 247 N -1.12 0.78 0.00 2.41 2.10 -1.94 -3.32 117.51 116.43 3hrg h ILE 247 Ca -0.46 -0.77 0.00 0.00 1.08 0.00 0.00 64.86 64.71 3hrg h ILE 247 Cb 1.31 1.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3hrg h ILE 247 CO 0.57 0.19 0.00 -0.90 -1.08 0.00 0.00 178.15 176.93 3hrg n ASP 248 N -3.79 0.00 0.00 2.19 5.75 -1.26 0.91 116.55 120.34 3hrg n ASP 248 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3hrg n ASP 248 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3hrg n ASP 248 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hrg n GLN 250 N -0.12 0.00 0.17 0.11 10.64 -1.25 0.13 117.38 127.06 3hrg n GLN 250 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 3hrg n GLN 250 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 3hrg n GLN 250 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hrg h ALA 251 N 0.00 -0.38 -0.09 2.61 0.00 0.20 -2.26 119.26 119.34 3hrg h ALA 251 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hrg h ALA 251 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hrg h ALA 251 CO 0.00 -0.68 0.06 1.25 0.00 0.00 0.00 179.25 179.88 3hrg h LEU 252 N -0.45 0.10 -0.47 0.00 5.85 -0.55 -2.18 115.31 117.62 3hrg h LEU 252 Ca -0.04 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 3hrg h LEU 252 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3hrg h LEU 252 CO 0.06 0.07 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.40 3hrg h LEU 253 N 0.12 0.08 -0.97 2.25 4.07 -1.76 -3.26 115.31 115.83 3hrg h LEU 253 Ca 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hrg h LEU 253 Cb -0.01 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3hrg h LEU 253 CO -0.01 0.81 0.00 0.00 -1.08 0.00 0.00 178.44 178.17 3hrg h THR 254 N 0.04 0.00 -0.86 0.22 1.03 -0.79 -3.47 112.91 109.09 3hrg h THR 254 Ca -0.02 -0.52 -0.59 0.00 -0.01 0.00 0.00 66.41 65.28 3hrg h THR 254 Cb 1.34 1.46 -0.07 0.00 -1.07 0.00 0.00 68.15 69.81 3hrg h THR 254 CO 0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 175.52 175.22