#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aet s PHE 4 N 0.00 3.23 -0.67 3.10 5.36 -1.26 -4.89 117.98 122.85 2aet s PHE 4 Ca 0.00 0.94 -0.05 0.00 -0.96 0.00 0.00 56.93 56.86 2aet s PHE 4 Cb 0.00 -3.68 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 2aet s PHE 4 CO 0.00 -2.40 1.82 -2.30 -1.46 0.00 0.00 175.22 170.88 2aet n PRO 5 N 4.00 1.52 -0.25 10.12 -0.02 -1.26 -4.74 135.00 144.38 2aet n PRO 5 Ca 0.12 -1.22 0.05 0.00 -2.02 0.00 0.00 63.50 60.43 2aet n PRO 5 Cb 0.42 -2.35 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 2aet n PRO 5 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2aet h THR 6 N 3.62 0.48 -0.03 3.45 2.02 -1.99 -0.06 112.91 120.40 2aet h THR 6 Ca 0.36 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 2aet h THR 6 Cb 0.13 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2aet h THR 6 CO 1.35 0.04 -0.39 1.05 0.37 0.00 0.00 175.52 177.94 2aet h GLU 7 N 0.23 0.32 -0.70 6.66 4.11 -2.00 -2.28 114.58 120.92 2aet h GLU 7 Ca 0.41 -0.30 0.11 0.00 0.07 0.00 0.00 59.36 59.64 2aet h GLU 7 Cb 0.70 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 2aet h GLU 7 CO -0.53 0.97 0.31 -0.92 0.07 0.00 0.00 179.01 178.91 2aet h TYR 8 N -0.22 0.55 0.23 2.06 3.20 -1.88 0.30 116.97 121.21 2aet h TYR 8 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2aet h TYR 8 Cb 1.08 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2aet h TYR 8 CO 0.15 0.16 -0.11 0.35 -1.64 0.00 0.00 178.16 177.06 2aet h PHE 9 N 0.52 -0.29 -0.47 -3.82 3.57 -1.03 -2.16 116.94 113.25 2aet h PHE 9 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.94 2aet h PHE 9 Cb 0.44 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 2aet h PHE 9 CO -0.14 -0.16 0.01 -0.07 -2.23 0.00 0.00 178.31 175.73 2aet h LEU 10 N -0.35 -0.18 -0.32 0.59 3.38 -0.73 0.24 115.31 117.95 2aet h LEU 10 Ca -0.03 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2aet h LEU 10 Cb 0.27 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2aet h LEU 10 CO 0.05 -0.05 0.11 -1.13 0.09 0.00 0.00 178.44 177.51 2aet h ASN 11 N 0.13 0.11 -0.65 -0.43 -1.24 -0.82 -0.98 115.58 111.70 2aet h ASN 11 Ca 0.24 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.23 2aet h ASN 11 Cb 0.35 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 2aet h ASN 11 CO -0.38 0.10 0.18 0.74 -1.29 0.00 0.00 177.43 176.78 2aet h THR 12 N 0.24 1.25 -0.55 -3.57 2.02 -0.74 -1.96 112.91 109.61 2aet h THR 12 Ca 0.15 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 2aet h THR 12 Cb 0.12 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2aet h THR 12 CO -0.16 0.34 0.23 0.74 0.37 0.00 0.00 175.52 177.04 2aet h THR 13 N 0.95 1.22 -0.59 3.16 2.02 -0.59 -1.39 112.91 117.69 2aet h THR 13 Ca 0.21 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 2aet h THR 13 Cb 0.33 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2aet h THR 13 CO -0.00 0.26 0.05 0.58 0.37 0.00 0.00 175.52 176.78 2aet h VAL 14 N 0.75 1.26 0.86 3.16 2.07 -1.04 -2.24 116.25 121.08 2aet h VAL 14 Ca 0.19 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2aet h VAL 14 Cb 0.19 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2aet h VAL 14 CO -0.02 0.39 -0.49 0.03 0.02 0.00 0.00 177.57 177.50 2aet h ARG 15 N 0.90 -1.21 -0.92 1.57 3.08 -1.15 -0.78 114.38 115.87 2aet h ARG 15 Ca 0.17 0.08 0.26 0.00 0.07 0.00 0.00 59.98 60.56 2aet h ARG 15 Cb 0.48 0.27 -0.14 0.00 0.08 0.00 0.00 29.97 30.66 2aet h ARG 15 CO 0.02 -0.81 0.34 1.25 -1.07 0.00 0.00 179.97 179.70 2aet h LEU 16 N -1.25 0.16 -0.66 3.04 5.85 -1.24 0.12 115.31 121.33 2aet h LEU 16 Ca -0.12 0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2aet h LEU 16 Cb 0.99 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2aet h LEU 16 CO 0.14 -0.14 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.03 2aet h LEU 17 N 0.26 1.02 -0.13 2.25 3.38 -0.99 -1.91 115.31 119.18 2aet h LEU 17 Ca 0.60 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 2aet h LEU 17 Cb 1.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2aet h LEU 17 CO -0.63 1.07 -0.16 -0.33 0.09 0.00 0.00 178.44 178.47 2aet h GLU 18 N 0.95 0.34 -0.23 1.13 5.08 0.63 0.31 114.58 122.78 2aet h GLU 18 Ca 0.17 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2aet h GLU 18 Cb 0.55 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2aet h GLU 18 CO 0.03 0.75 -0.25 1.88 -1.00 0.00 0.00 179.01 180.42 2aet h TYR 19 N -0.06 -0.67 0.00 4.33 -1.99 -0.86 0.38 116.97 118.10 2aet h TYR 19 Ca 0.02 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2aet h TYR 19 Cb 0.71 0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.77 2aet h TYR 19 CO 0.09 -0.33 0.00 0.44 -0.00 0.00 0.00 178.16 178.36 2aet n ILE 20 N -5.38 0.14 -3.23 -2.88 -5.35 -0.72 -4.86 119.36 97.08 2aet n ILE 20 Ca -0.01 0.04 -0.16 0.00 -0.27 0.00 0.00 62.75 62.35 2aet n ILE 20 Cb 0.30 -0.72 0.07 0.00 -1.74 0.00 0.00 39.64 37.54 2aet n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2aet n ARG 21 N -1.09 -5.65 -1.68 6.28 1.74 0.12 -4.89 116.66 111.49 2aet n ARG 21 Ca 0.13 0.65 -0.45 0.00 -0.77 0.00 0.00 57.85 57.41 2aet n ARG 21 Cb 0.10 -5.11 -0.04 0.00 -1.02 0.00 0.00 32.46 26.39 2aet n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2aet n TYR 22 N -3.93 2.46 -2.10 -1.55 9.36 0.10 -4.89 117.16 116.62 2aet n TYR 22 Ca -0.11 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.03 2aet n TYR 22 Cb 0.59 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 2aet n TYR 22 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2aet n ARG 23 N 5.90 0.00 -3.52 2.98 1.85 -1.26 -4.94 116.66 117.68 2aet n ARG 23 Ca 0.20 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.71 2aet n ARG 23 Cb 0.34 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.70 2aet n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2aet s ASP 24 N 1.72 6.64 0.42 2.89 1.01 -1.26 -5.02 116.67 123.07 2aet s ASP 24 Ca 0.00 0.83 0.06 0.00 0.71 0.00 0.00 52.55 54.16 2aet s ASP 24 Cb 0.00 -2.19 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 2aet s ASP 24 CO 0.00 0.07 0.06 -0.94 0.21 0.00 0.00 175.17 174.57 2aet s SER 25 N -2.05 4.04 -0.13 0.27 1.04 -1.26 -5.01 113.70 110.60 2aet s SER 25 Ca 0.39 -1.33 0.06 0.00 0.48 0.00 0.00 55.95 55.55 2aet s SER 25 Cb -0.13 -0.31 0.40 0.00 0.10 0.00 0.00 66.02 66.09 2aet s SER 25 CO 0.20 -0.53 1.16 0.59 0.98 0.00 0.00 173.24 175.65 2aet n ASN 26 N -1.08 3.37 -4.43 7.02 3.02 -1.26 -4.77 115.26 117.13 2aet n ASN 26 Ca -0.06 -2.50 -0.44 0.00 -0.03 0.00 0.00 54.58 51.56 2aet n ASN 26 Cb 0.66 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 2aet n ASN 26 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2aet s TYR 27 N -1.85 2.85 0.32 3.10 6.14 -1.26 -5.03 117.35 121.61 2aet s TYR 27 Ca 0.27 -0.82 -0.27 0.00 0.64 0.00 0.00 57.07 56.88 2aet s TYR 27 Cb 0.21 -4.22 -0.09 0.00 0.42 0.00 0.00 41.96 38.28 2aet s TYR 27 CO 0.08 -1.53 1.05 0.95 0.64 0.00 0.00 175.55 176.74 2aet s THR 28 N 3.43 3.68 0.49 4.34 -4.23 -1.26 -4.88 115.64 117.21 2aet s THR 28 Ca 0.21 1.53 0.29 0.00 -1.18 0.00 0.00 61.69 62.55 2aet s THR 28 Cb -0.16 -3.91 0.48 0.00 1.34 0.00 0.00 72.50 70.25 2aet s THR 28 CO 0.05 0.24 1.82 -0.09 -0.54 0.00 0.00 174.62 176.10 2aet h ARG 29 N 3.37 0.13 -0.08 3.99 2.43 -1.93 0.64 114.38 122.93 2aet h ARG 29 Ca -0.47 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.57 2aet h ARG 29 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2aet h ARG 29 CO 0.65 0.09 -0.49 0.93 -1.51 0.00 0.00 179.97 179.64 2aet h GLU 30 N 0.14 0.22 0.00 0.20 3.07 -1.96 -2.10 114.58 114.14 2aet h GLU 30 Ca 0.54 -0.12 -0.27 0.00 -0.50 0.00 0.00 59.36 59.01 2aet h GLU 30 Cb 1.86 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.80 2aet h GLU 30 CO -0.10 0.66 -1.05 0.93 -1.40 0.00 0.00 179.01 178.05 2aet h GLU 31 N 0.17 0.69 -0.29 2.33 5.08 -0.13 -2.36 114.58 120.08 2aet h GLU 31 Ca 0.01 -0.75 0.04 0.00 -1.00 0.00 0.00 59.36 57.66 2aet h GLU 31 Cb 0.93 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2aet h GLU 31 CO 0.07 1.32 0.06 0.00 -1.00 0.00 0.00 179.01 179.47 2aet h ARG 32 N 0.39 0.17 -0.12 2.33 3.08 -1.09 0.67 114.38 119.81 2aet h ARG 32 Ca -0.13 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2aet h ARG 32 Cb 1.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2aet h ARG 32 CO 0.20 0.11 -0.10 0.82 -1.07 0.00 0.00 179.97 179.94 2aet h ILE 33 N 0.17 1.14 -0.21 2.04 2.04 -1.40 0.42 117.51 121.71 2aet h ILE 33 Ca 0.13 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2aet h ILE 33 Cb 0.13 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2aet h ILE 33 CO -0.17 0.19 -0.03 -0.33 0.00 0.00 0.00 178.15 177.81 2aet h GLU 34 N 0.17 0.40 -0.09 2.37 5.08 -0.52 -2.28 114.58 119.70 2aet h GLU 34 Ca 0.04 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2aet h GLU 34 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2aet h GLU 34 CO 0.02 0.62 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.55 2aet h ASN 35 N 0.13 0.33 -0.44 1.42 2.35 -0.49 -2.31 115.58 116.56 2aet h ASN 35 Ca 0.06 -0.57 0.09 0.00 -0.55 0.00 0.00 56.30 55.33 2aet h ASN 35 Cb 0.47 -0.09 -0.09 0.00 0.05 0.00 0.00 38.32 38.65 2aet h ASN 35 CO 0.02 0.84 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.33 2aet h LEU 36 N -0.17 -0.78 -1.09 1.61 3.38 -0.21 0.18 115.31 118.22 2aet h LEU 36 Ca 0.00 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2aet h LEU 36 Cb 0.79 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2aet h LEU 36 CO 0.04 -0.25 -0.33 -0.74 0.09 0.00 0.00 178.44 177.25 2aet h HIS 37 N -0.14 0.25 -0.02 1.13 2.76 -1.46 -1.61 115.15 116.07 2aet h HIS 37 Ca 0.21 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2aet h HIS 37 Cb 0.47 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 2aet h HIS 37 CO -0.48 0.53 -0.01 -0.92 -1.30 0.00 0.00 177.93 175.75 2aet h TYR 38 N 0.20 0.05 0.58 5.26 3.20 -0.55 -0.83 116.97 124.87 2aet h TYR 38 Ca 0.03 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2aet h TYR 38 Cb 0.68 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.95 2aet h TYR 38 CO 0.01 0.47 -0.28 0.00 -1.64 0.00 0.00 178.16 176.72 2aet h ALA 39 N 0.57 -0.78 -0.96 1.82 0.00 -0.70 -2.45 119.26 116.76 2aet h ALA 39 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.87 2aet h ALA 39 Cb 0.46 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2aet h ALA 39 CO 0.00 -0.92 0.61 -0.92 0.00 0.00 0.00 179.25 178.02 2aet h TYR 40 N -0.82 1.02 -0.17 0.00 3.20 -1.37 -1.84 116.97 117.00 2aet h TYR 40 Ca -0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 2aet h TYR 40 Cb 0.61 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2aet h TYR 40 CO -0.03 0.38 -0.34 -0.97 -1.64 0.00 0.00 178.16 175.56 2aet h ASN 41 N 0.86 0.35 0.35 -2.11 -1.24 -0.89 0.51 115.58 113.41 2aet h ASN 41 Ca 0.48 -0.13 -0.30 0.00 0.71 0.00 0.00 56.30 57.06 2aet h ASN 41 Cb 0.61 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 39.58 2aet h ASN 41 CO -0.25 0.67 -1.32 0.50 -1.29 0.00 0.00 177.43 175.74 2aet h LYS 42 N 0.30 0.47 0.02 6.67 3.64 -0.95 -3.21 116.57 123.51 2aet h LYS 42 Ca 0.04 -0.74 -0.00 0.00 -1.27 0.00 0.00 60.65 58.68 2aet h LYS 42 Cb 0.74 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2aet h LYS 42 CO 0.06 1.34 -0.01 0.00 -2.27 0.00 0.00 179.45 178.57 2aet h ALA 43 N 0.36 -0.02 -0.87 5.00 0.00 -1.24 -2.12 119.26 120.37 2aet h ALA 43 Ca -0.19 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.61 2aet h ALA 43 Cb 2.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 2aet h ALA 43 CO 0.24 -0.34 0.53 0.00 0.00 0.00 0.00 179.25 179.68 2aet h ALA 44 N 0.61 1.21 -0.16 0.00 0.00 -1.03 0.11 119.26 119.99 2aet h ALA 44 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2aet h ALA 44 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2aet h ALA 44 CO 0.00 0.26 -0.18 0.45 0.00 0.00 0.00 179.25 179.78 2aet h HIS 45 N 0.96 0.28 0.37 0.00 -0.00 -1.54 0.04 115.15 115.25 2aet h HIS 45 Ca 0.39 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 2aet h HIS 45 Cb 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2aet h HIS 45 CO -0.03 0.44 -0.18 1.25 -0.00 0.00 0.00 177.93 179.41 2aet h HIS 46 N 0.25 -0.46 0.00 2.45 6.17 -0.34 -2.95 115.15 120.27 2aet h HIS 46 Ca 0.05 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2aet h HIS 46 Cb 0.47 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.55 2aet h HIS 46 CO 0.01 -0.19 0.00 0.74 0.71 0.00 0.00 177.93 179.20 2aet h PHE 47 N -1.06 0.00 -0.00 5.26 0.04 -0.85 0.06 116.94 120.39 2aet h PHE 47 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2aet h PHE 47 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2aet h PHE 47 CO 0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 178.31 177.41 2aet n ALA 48 N -1.83 3.13 -0.97 2.45 0.00 -0.00 -3.99 120.51 119.30 2aet n ALA 48 Ca -0.01 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 2aet n ALA 48 Cb 0.10 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.45 2aet n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aet s GLN 49 N -2.93 1.61 0.04 0.00 -0.21 0.01 -4.23 119.66 113.95 2aet s GLN 49 Ca 0.14 1.39 -0.25 0.00 0.02 0.00 0.00 55.36 56.66 2aet s GLN 49 Cb 0.18 -1.81 -0.14 0.00 1.00 0.00 0.00 33.01 32.24 2aet s GLN 49 CO 0.63 -2.16 1.34 -1.35 -2.12 0.00 0.00 175.29 171.62 2aet h PRO 50 N -1.48 -0.88 -0.95 2.91 0.11 -1.90 -1.04 132.00 128.77 2aet h PRO 50 Ca -0.43 0.06 0.23 0.00 0.11 0.00 0.00 66.00 65.97 2aet h PRO 50 Cb 1.25 0.20 -0.12 0.00 0.11 0.00 0.00 31.00 32.44 2aet h PRO 50 CO 0.46 -0.59 0.50 0.07 -0.21 0.00 0.00 178.00 178.23 2aet h ARG 51 N -0.95 0.48 -0.09 1.05 0.11 -1.96 0.19 114.38 113.21 2aet h ARG 51 Ca -0.09 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2aet h ARG 51 Cb 0.70 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2aet h ARG 51 CO 0.15 0.32 0.03 1.96 0.10 0.00 0.00 179.97 182.53 2aet h GLN 52 N 0.49 0.15 -0.24 0.08 1.08 -1.85 -1.31 115.11 113.52 2aet h GLN 52 Ca 0.60 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.84 2aet h GLN 52 Cb 1.15 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2aet h GLN 52 CO -0.50 0.31 0.18 1.96 -0.95 0.00 0.00 178.83 179.83 2aet h GLN 53 N -0.05 0.00 0.00 1.46 1.08 0.64 -1.81 115.11 116.43 2aet h GLN 53 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2aet h GLN 53 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2aet h GLN 53 CO -0.00 0.00 -1.48 0.00 -0.95 0.00 0.00 178.83 176.40 2aet n GLN 54 N -4.36 0.35 -0.01 1.46 10.64 0.18 -4.44 117.38 121.20 2aet n GLN 54 Ca 0.03 -0.09 0.09 0.00 -1.83 0.00 0.00 57.00 55.20 2aet n GLN 54 Cb 0.33 -1.52 -0.14 0.00 -0.86 0.00 0.00 30.24 28.04 2aet n GLN 54 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2aet n LEU 55 N -1.92 0.00 -4.34 2.61 4.77 -0.53 -4.78 117.00 112.81 2aet n LEU 55 Ca -0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 2aet n LEU 55 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2aet n LEU 55 CO 0.44 0.00 0.41 -0.22 -1.33 0.00 0.00 177.39 176.70 2aet s LEU 56 N -4.30 6.37 -0.54 2.23 2.96 -0.70 -4.60 118.68 120.10 2aet s LEU 56 Ca -0.07 -2.33 -0.28 0.00 -0.22 0.00 0.00 54.13 51.24 2aet s LEU 56 Cb 0.12 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2aet s LEU 56 CO 0.77 -0.73 1.56 -0.54 -1.32 0.00 0.00 176.35 176.09 2aet s LYS 57 N 0.92 3.17 -0.04 1.98 -0.14 -1.26 -4.87 119.74 119.50 2aet s LYS 57 Ca 0.15 0.61 -0.16 0.00 -1.36 0.00 0.00 55.97 55.22 2aet s LYS 57 Cb -0.15 -4.19 0.03 0.00 -1.68 0.00 0.00 37.83 31.84 2aet s LYS 57 CO -0.05 -2.09 0.36 0.08 -0.76 0.00 0.00 175.35 172.89 2aet s VAL 58 N 6.77 0.04 0.12 3.17 1.01 -1.26 -4.91 120.40 125.34 2aet s VAL 58 Ca 0.59 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 2aet s VAL 58 Cb -0.13 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 2aet s VAL 58 CO 0.25 -0.19 1.26 -0.62 0.00 0.00 0.00 175.10 175.80 2aet s ASP 59 N -1.08 6.99 0.26 3.32 2.15 -1.26 -4.89 116.67 122.15 2aet s ASP 59 Ca -0.11 2.20 -0.03 0.00 0.43 0.00 0.00 52.55 55.04 2aet s ASP 59 Cb -0.04 -2.59 0.54 0.00 -0.30 0.00 0.00 42.92 40.52 2aet s ASP 59 CO 0.04 -0.50 1.68 -0.65 -0.17 0.00 0.00 175.17 175.57 2aet h PRO 60 N 6.27 0.27 -0.26 4.34 0.11 -1.99 -0.41 132.00 140.33 2aet h PRO 60 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2aet h PRO 60 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2aet h PRO 60 CO 0.81 0.18 -0.14 0.87 -0.21 0.00 0.00 178.00 179.51 2aet h LYS 61 N 0.28 0.45 0.01 1.05 1.57 -2.00 -2.16 116.57 115.77 2aet h LYS 61 Ca 0.46 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.92 2aet h LYS 61 Cb 0.82 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2aet h LYS 61 CO -0.54 0.58 -0.91 0.00 -0.57 0.00 0.00 179.45 178.01 2aet h ARG 62 N 0.41 0.08 -0.13 3.15 3.08 -1.55 -2.30 114.38 117.13 2aet h ARG 62 Ca 0.08 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2aet h ARG 62 Cb 0.49 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2aet h ARG 62 CO 0.03 0.93 0.03 1.25 -1.07 0.00 0.00 179.97 181.14 2aet h LEU 63 N 0.04 0.19 -0.43 3.04 5.85 -0.88 0.30 115.31 123.42 2aet h LEU 63 Ca -0.03 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2aet h LEU 63 Cb 1.58 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 2aet h LEU 63 CO 0.13 0.38 0.18 -0.61 -0.34 0.00 0.00 178.44 178.18 2aet h GLN 64 N -0.00 0.35 -0.30 1.25 5.75 -1.42 0.30 115.11 121.04 2aet h GLN 64 Ca 0.04 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2aet h GLN 64 Cb 0.27 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2aet h GLN 64 CO 0.00 0.23 -0.00 0.00 -2.65 0.00 0.00 178.83 176.41 2aet h ALA 65 N 1.26 0.40 -0.19 3.38 0.00 -1.19 -1.81 119.26 121.11 2aet h ALA 65 Ca 0.19 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2aet h ALA 65 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2aet h ALA 65 CO -0.17 0.16 0.10 0.77 0.00 0.00 0.00 179.25 180.10 2aet h SER 66 N 0.32 0.15 -0.42 0.00 0.02 0.11 -0.16 113.55 113.57 2aet h SER 66 Ca 0.08 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2aet h SER 66 Cb 0.44 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2aet h SER 66 CO 0.02 0.12 0.18 0.25 -1.14 0.00 0.00 176.83 176.25 2aet h LEU 67 N 0.21 0.23 -0.92 5.07 5.85 -0.35 -0.01 115.31 125.38 2aet h LEU 67 Ca 0.08 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2aet h LEU 67 Cb 0.01 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2aet h LEU 67 CO -0.05 0.17 0.25 1.56 -0.34 0.00 0.00 178.44 180.03 2aet h GLN 68 N 0.37 1.04 -0.31 1.25 4.20 -1.00 -0.69 115.11 119.97 2aet h GLN 68 Ca 0.19 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2aet h GLN 68 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2aet h GLN 68 CO -0.16 0.86 0.03 1.15 -0.67 0.00 0.00 178.83 180.04 2aet h THR 69 N 1.01 1.24 -0.17 -0.54 2.02 -0.43 -2.40 112.91 113.65 2aet h THR 69 Ca 0.23 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2aet h THR 69 Cb 0.23 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2aet h THR 69 CO -0.02 0.28 0.01 0.40 0.37 0.00 0.00 175.52 176.56 2aet h ILE 70 N 0.34 1.25 -0.85 3.11 1.08 -0.72 -2.23 117.51 119.49 2aet h ILE 70 Ca 0.09 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.79 2aet h ILE 70 Cb 0.38 1.46 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 2aet h ILE 70 CO 0.01 0.24 0.55 0.58 -0.69 0.00 0.00 178.15 178.85 2aet h VAL 71 N 0.05 1.10 -0.44 1.67 2.07 -1.19 -0.10 116.25 119.42 2aet h VAL 71 Ca 0.05 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2aet h VAL 71 Cb 0.36 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2aet h VAL 71 CO 0.01 0.18 0.28 1.23 0.02 0.00 0.00 177.57 179.29 2aet h GLY 72 N 1.01 0.61 0.88 2.17 0.00 -1.14 -1.70 103.07 104.90 2aet h GLY 72 Ca 0.35 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 2aet h GLY 72 CO -0.11 0.20 -0.02 1.98 0.00 0.00 0.00 176.54 178.59 2aet h MET 73 N 0.56 0.54 0.28 4.80 -1.53 -0.72 -2.72 114.93 116.14 2aet h MET 73 Ca 0.17 -0.18 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 2aet h MET 73 Cb -0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 30.97 2aet h MET 73 CO -0.05 0.70 -0.13 0.28 0.14 0.00 0.00 176.91 177.84 2aet h VAL 74 N 0.33 0.00 -0.98 -5.77 2.07 -0.84 -1.86 116.25 109.20 2aet h VAL 74 Ca 0.08 -0.03 0.31 0.00 0.82 0.00 0.00 66.70 67.88 2aet h VAL 74 Cb 0.46 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 2aet h VAL 74 CO 0.02 0.00 0.49 0.58 0.02 0.00 0.00 177.57 178.68 2aet h VAL 75 N -0.41 0.29 0.00 2.57 2.07 -1.43 0.49 116.25 119.83 2aet h VAL 75 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2aet h VAL 75 Cb 0.28 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2aet h VAL 75 CO 0.06 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.49 2aet n TYR 76 N -5.10 0.62 -0.01 1.57 4.02 -1.02 -4.06 117.16 113.18 2aet n TYR 76 Ca 0.30 0.19 -0.01 0.00 -0.01 0.00 0.00 57.90 58.37 2aet n TYR 76 Cb 0.93 -0.82 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 2aet n TYR 76 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2aet n SER 77 N -2.02 4.35 -2.51 7.72 7.64 0.14 -3.84 113.62 125.10 2aet n SER 77 Ca 0.05 -0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 2aet n SER 77 Cb 0.36 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 2aet n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2aet n TRP 78 N -2.21 2.19 -0.34 1.43 8.01 0.53 -3.64 117.44 123.41 2aet n TRP 78 Ca -0.03 -2.19 0.20 0.00 -1.31 0.00 0.00 57.50 54.17 2aet n TRP 78 Cb 0.55 -1.27 0.44 0.00 -2.01 0.00 0.00 31.31 29.01 2aet n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2aet h ALA 79 N 2.66 1.96 0.00 6.99 0.00 -1.78 -2.58 119.26 126.51 2aet h ALA 79 Ca 0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2aet h ALA 79 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2aet h ALA 79 CO 1.11 -0.43 -0.35 1.63 0.00 0.00 0.00 179.25 181.21 2aet n LYS 80 N -4.82 0.05 -1.89 0.00 4.76 -1.26 -4.91 118.16 110.09 2aet n LYS 80 Ca 0.27 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 2aet n LYS 80 Cb 0.83 -1.54 0.12 0.00 -1.84 0.00 0.00 35.03 32.60 2aet n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2aet s VAL 81 N -3.03 2.00 0.92 -0.18 -7.23 -0.97 -5.05 120.40 106.86 2aet s VAL 81 Ca 0.11 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.14 2aet s VAL 81 Cb 0.17 -2.98 0.16 0.00 0.56 0.00 0.00 36.38 34.29 2aet s VAL 81 CO 0.65 0.00 1.24 -0.94 -0.31 0.00 0.00 175.10 175.74 2aet s SER 82 N -4.63 3.46 0.11 4.85 1.04 -1.26 -4.87 113.70 112.40 2aet s SER 82 Ca 0.65 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 2aet s SER 82 Cb -0.09 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2aet s SER 82 CO 0.50 -2.54 1.64 0.11 0.98 0.00 0.00 173.24 173.93 2aet h LYS 83 N -1.50 0.49 -0.96 4.02 1.57 -1.98 -1.67 116.57 116.54 2aet h LYS 83 Ca -0.46 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.24 2aet h LYS 83 Cb 1.28 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2aet h LYS 83 CO 0.50 0.51 0.63 0.93 -0.57 0.00 0.00 179.45 181.45 2aet h GLU 84 N 0.36 1.23 -0.59 3.15 4.39 -1.98 -0.38 114.58 120.77 2aet h GLU 84 Ca 0.10 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2aet h GLU 84 Cb 0.22 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2aet h GLU 84 CO -0.01 0.82 0.12 0.00 -1.16 0.00 0.00 179.01 178.79 2aet h MET 86 N 0.88 0.70 0.39 0.00 2.86 -0.68 -1.30 114.93 117.77 2aet h MET 86 Ca 0.19 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2aet h MET 86 Cb 0.34 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2aet h MET 86 CO 0.00 0.90 -0.26 0.00 1.06 0.00 0.00 176.91 178.61 2aet h ALA 87 N 0.78 -0.64 -0.19 6.32 0.00 -0.78 -0.34 119.26 124.41 2aet h ALA 87 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2aet h ALA 87 Cb 0.70 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2aet h ALA 87 CO 0.05 -0.88 -0.05 -0.44 0.00 0.00 0.00 179.25 177.93 2aet h ASP 88 N -0.64 0.26 1.21 0.00 3.32 -1.02 -1.33 116.42 118.23 2aet h ASP 88 Ca -0.04 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 2aet h ASP 88 Cb 0.54 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2aet h ASP 88 CO 0.03 0.36 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.41 2aet h LEU 89 N 0.28 0.00 -0.54 1.55 3.38 -1.05 -3.01 115.31 115.92 2aet h LEU 89 Ca 0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2aet h LEU 89 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2aet h LEU 89 CO 0.01 0.42 -0.16 0.28 0.09 0.00 0.00 178.44 179.08 2aet h SER 90 N 0.00 1.02 -0.07 -0.43 0.02 0.09 -1.29 113.55 112.90 2aet h SER 90 Ca -0.00 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2aet h SER 90 Cb 1.14 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2aet h SER 90 CO 0.05 1.16 -0.00 0.40 -1.14 0.00 0.00 176.83 177.30 2aet h ILE 91 N 0.89 1.26 -0.90 3.27 2.04 -1.42 -1.42 117.51 121.22 2aet h ILE 91 Ca 0.13 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2aet h ILE 91 Cb 0.73 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 2aet h ILE 91 CO 0.06 0.23 0.49 -0.74 0.00 0.00 0.00 178.15 178.18 2aet h HIS 92 N -0.18 1.24 0.00 1.37 2.76 -1.50 -0.90 115.15 117.94 2aet h HIS 92 Ca 0.02 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2aet h HIS 92 Cb 0.36 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2aet h HIS 92 CO 0.04 0.86 0.00 1.88 -1.30 0.00 0.00 177.93 179.41 2aet h TYR 93 N 1.26 0.00 0.03 5.26 0.05 -1.23 -2.67 116.97 119.67 2aet h TYR 93 Ca 0.32 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.88 2aet h TYR 93 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2aet h TYR 93 CO 0.01 0.00 -0.97 1.15 -1.05 0.00 0.00 178.16 177.30 2aet h THR 94 N 0.00 1.50 0.11 -2.88 2.02 -0.60 -2.12 112.91 110.95 2aet h THR 94 Ca 0.00 -2.76 -0.01 0.00 0.77 0.00 0.00 66.41 64.42 2aet h THR 94 Cb 0.94 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2aet h THR 94 CO 0.00 0.80 -0.05 1.88 0.37 0.00 0.00 175.52 178.52 2aet h TYR 95 N 0.11 -0.14 -0.63 3.16 0.05 -1.08 -0.60 116.97 117.83 2aet h TYR 95 Ca -0.06 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2aet h TYR 95 Cb 1.63 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 39.39 2aet h TYR 95 CO 0.04 0.05 0.39 1.79 -1.05 0.00 0.00 178.16 179.38 2aet h THR 96 N -0.32 1.17 -0.25 -2.88 1.35 -1.50 -1.84 112.91 108.64 2aet h THR 96 Ca -0.02 -0.37 -0.06 0.00 -0.55 0.00 0.00 66.41 65.41 2aet h THR 96 Cb 0.26 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 2aet h THR 96 CO 0.03 0.18 -0.08 0.25 -0.25 0.00 0.00 175.52 175.64 2aet h LEU 97 N 0.86 0.51 -1.59 3.87 5.85 -1.18 -2.98 115.31 120.65 2aet h LEU 97 Ca 0.23 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.68 2aet h LEU 97 Cb -0.05 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2aet h LEU 97 CO -0.04 0.78 0.44 0.58 -0.34 0.00 0.00 178.44 179.85 2aet h VAL 98 N 0.24 0.88 -0.22 1.05 2.07 -0.46 -2.44 116.25 117.38 2aet h VAL 98 Ca 0.06 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2aet h VAL 98 Cb 0.56 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2aet h VAL 98 CO 0.03 0.08 0.16 0.25 0.02 0.00 0.00 177.57 178.11 2aet h LEU 99 N 0.45 0.00 0.00 2.57 5.85 -1.19 -0.67 115.31 122.31 2aet h LEU 99 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2aet h LEU 99 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2aet h LEU 99 CO -0.09 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.48 2aet n ASP 100 N -4.42 0.00 -0.11 1.25 8.00 -0.92 -1.85 116.55 118.50 2aet n ASP 100 Ca 0.02 0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.72 2aet n ASP 100 Cb 0.31 -0.24 0.39 0.00 -0.02 0.00 0.00 41.12 41.56 2aet n ASP 100 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2aet n ASP 101 N -1.24 0.65 -4.76 -2.24 9.92 -0.26 -4.87 116.55 113.76 2aet n ASP 101 Ca 0.05 -0.48 -0.38 0.00 -0.53 0.00 0.00 54.79 53.44 2aet n ASP 101 Cb 0.07 0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 2aet n ASP 101 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2aet s SER 102 N -2.72 6.83 -0.14 -2.24 0.15 -0.77 -4.91 113.70 109.90 2aet s SER 102 Ca 0.19 0.99 0.18 0.00 0.70 0.00 0.00 55.95 58.01 2aet s SER 102 Cb 0.19 -2.32 -0.26 0.00 -1.71 0.00 0.00 66.02 61.92 2aet s SER 102 CO 0.58 0.09 0.24 1.17 1.20 0.00 0.00 173.24 176.51 2aet n LYS 103 N 3.01 0.68 -1.65 5.44 4.81 -1.26 -4.97 118.16 124.21 2aet n LYS 103 Ca -0.08 -0.01 -0.53 0.00 -0.87 0.00 0.00 58.31 56.82 2aet n LYS 103 Cb 0.51 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.94 2aet n LYS 103 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2aet n ASP 104 N -2.69 2.22 -4.70 3.14 8.00 -1.26 -4.90 116.55 116.36 2aet n ASP 104 Ca -0.25 1.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.92 2aet n ASP 104 Cb 1.02 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 2aet n ASP 104 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aet s ASP 105 N 2.08 6.61 0.31 -2.24 2.15 -1.26 -4.92 116.67 119.41 2aet s ASP 105 Ca 0.90 2.51 0.26 0.00 0.43 0.00 0.00 52.55 56.66 2aet s ASP 105 Cb -0.96 -2.57 0.84 0.00 -0.30 0.00 0.00 42.92 39.93 2aet s ASP 105 CO 0.54 -0.85 1.76 -0.65 -0.17 0.00 0.00 175.17 175.80 2aet h PRO 106 N 7.70 0.00 -0.42 4.34 0.11 -1.95 -3.40 132.00 138.37 2aet h PRO 106 Ca -0.42 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.72 2aet h PRO 106 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2aet h PRO 106 CO 0.92 0.00 -0.27 -0.92 -0.21 0.00 0.00 178.00 177.52 2aet h TYR 107 N 0.00 -0.87 -0.97 0.65 5.03 -1.97 -0.38 116.97 118.45 2aet h TYR 107 Ca 0.00 0.06 0.17 0.00 2.58 0.00 0.00 58.73 61.54 2aet h TYR 107 Cb 0.66 0.43 -0.09 0.00 1.55 0.00 0.00 36.73 39.28 2aet h TYR 107 CO 0.00 -0.18 0.61 -1.35 -1.32 0.00 0.00 178.16 175.92 2aet h PRO 108 N -0.03 0.72 -0.00 1.82 0.11 -2.02 -0.60 132.00 132.00 2aet h PRO 108 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2aet h PRO 108 Cb 0.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2aet h PRO 108 CO -0.41 0.47 -0.11 0.25 -0.21 0.00 0.00 178.00 178.00 2aet n THR 109 N -4.66 0.00 0.66 -1.15 -2.24 -0.56 -3.54 114.28 102.80 2aet n THR 109 Ca 0.21 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 2aet n THR 109 Cb 0.54 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2aet n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2aet n MET 110 N -0.81 1.74 -0.20 -0.78 2.81 -0.26 -4.03 117.12 115.58 2aet n MET 110 Ca 0.15 -0.78 0.13 0.00 -1.81 0.00 0.00 57.70 55.39 2aet n MET 110 Cb 0.28 -1.24 0.44 0.00 -0.71 0.00 0.00 33.22 31.99 2aet n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2aet h VAL 111 N 1.69 0.84 -0.13 2.03 2.07 -1.50 -1.73 116.25 119.51 2aet h VAL 111 Ca 0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2aet h VAL 111 Cb 0.51 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2aet h VAL 111 CO 0.00 0.10 -0.49 0.59 0.02 0.00 0.00 177.57 177.79 2aet n ASN 112 N -4.51 2.20 0.15 0.57 3.02 -1.26 -4.83 115.26 110.61 2aet n ASN 112 Ca 0.15 -3.88 -0.16 0.00 -0.03 0.00 0.00 54.58 50.66 2aet n ASN 112 Cb 0.47 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 2aet n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2aet h TYR 113 N 1.14 -1.31 -0.20 3.10 3.20 -1.56 -1.83 116.97 119.52 2aet h TYR 113 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2aet h TYR 113 Cb 1.13 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 2aet h TYR 113 CO 0.81 -0.57 0.06 0.35 -1.64 0.00 0.00 178.16 177.17 2aet h PHE 114 N -0.75 0.32 -0.68 -3.82 3.57 -1.88 -2.19 116.94 111.52 2aet h PHE 114 Ca -0.00 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2aet h PHE 114 Cb 0.74 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2aet h PHE 114 CO -0.36 0.41 0.44 -0.44 -2.23 0.00 0.00 178.31 176.13 2aet h ASP 115 N 0.15 0.74 -0.57 0.41 3.32 -1.91 -0.46 116.42 118.10 2aet h ASP 115 Ca 0.06 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2aet h ASP 115 Cb 0.24 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2aet h ASP 115 CO -0.00 0.53 0.19 0.44 -1.72 0.00 0.00 179.24 178.67 2aet h ASP 116 N 0.88 0.85 -0.05 6.45 3.32 -1.30 -1.52 116.42 125.05 2aet h ASP 116 Ca 0.26 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2aet h ASP 116 Cb -0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 2aet h ASP 116 CO -0.08 0.80 0.02 0.25 -1.72 0.00 0.00 179.24 178.51 2aet h LEU 117 N 0.89 0.07 -1.46 1.55 5.85 -0.72 -0.94 115.31 120.55 2aet h LEU 117 Ca 0.20 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2aet h LEU 117 Cb 0.26 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2aet h LEU 117 CO -0.01 0.23 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.44 2aet h GLN 118 N -0.08 0.00 -0.01 1.25 5.75 -0.96 -2.93 115.11 118.13 2aet h GLN 118 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2aet h GLN 118 Cb 0.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2aet h GLN 118 CO -0.00 0.27 -0.30 0.00 -2.65 0.00 0.00 178.83 176.14 2aet n ALA 119 N -2.41 3.18 -1.10 3.38 0.00 -0.59 -4.96 120.51 118.02 2aet n ALA 119 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 2aet n ALA 119 Cb 0.34 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 2aet n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aet n GLY 120 N 1.36 0.65 3.83 0.00 0.00 -0.66 -5.03 105.19 105.34 2aet n GLY 120 Ca 0.12 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2aet n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aet s ARG 121 N -2.16 4.03 0.38 1.61 0.52 -0.45 -5.03 118.95 117.86 2aet s ARG 121 Ca 0.00 0.55 -0.27 0.00 -0.52 0.00 0.00 55.73 55.49 2aet s ARG 121 Cb 0.00 -3.05 -0.11 0.00 0.52 0.00 0.00 34.95 32.31 2aet s ARG 121 CO 0.00 0.55 1.39 -1.91 0.02 0.00 0.00 175.30 175.35 2aet n GLU 122 N 1.18 2.36 -1.56 3.54 2.13 -1.26 -4.50 120.64 122.53 2aet n GLU 122 Ca -0.08 0.83 -0.34 0.00 0.66 0.00 0.00 57.16 58.24 2aet n GLU 122 Cb 0.52 -2.53 0.07 0.00 0.27 0.00 0.00 31.44 29.77 2aet n GLU 122 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2aet s GLN 123 N -2.10 2.40 0.06 5.31 -1.52 -1.26 -4.97 119.66 117.58 2aet s GLN 123 Ca 0.56 1.59 -0.14 0.00 -1.95 0.00 0.00 55.36 55.42 2aet s GLN 123 Cb -0.50 -1.88 -0.28 0.00 -0.22 0.00 0.00 33.01 30.12 2aet s GLN 123 CO 0.62 -1.60 1.11 0.00 -0.25 0.00 0.00 175.29 175.18 2aet h ALA 124 N -0.18 0.01 -1.86 6.09 0.00 -1.93 -3.43 119.26 117.97 2aet h ALA 124 Ca -0.47 -0.77 -0.57 0.00 0.00 0.00 0.00 54.91 53.10 2aet h ALA 124 Cb 1.27 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2aet h ALA 124 CO 0.51 0.70 1.08 -1.58 0.00 0.00 0.00 179.25 179.97 2aet s HIS 125 N -3.00 2.35 0.33 0.00 5.04 -1.26 -4.89 115.29 113.86 2aet s HIS 125 Ca -0.09 0.69 0.11 0.00 -1.54 0.00 0.00 55.06 54.23 2aet s HIS 125 Cb 0.06 -4.17 1.01 0.00 0.04 0.00 0.00 32.58 29.52 2aet s HIS 125 CO 0.93 -2.15 1.64 -1.00 -2.34 0.00 0.00 174.74 171.82 2aet h PRO 126 N 10.69 0.22 -0.01 2.88 0.13 -1.88 0.10 132.00 144.13 2aet h PRO 126 Ca -0.29 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.86 2aet h PRO 126 Cb 1.12 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2aet h PRO 126 CO 1.06 0.14 -0.21 2.35 -0.23 0.00 0.00 178.00 181.11 2aet h TRP 127 N 0.22 -0.56 -0.49 1.56 7.01 -1.90 -1.33 115.95 120.46 2aet h TRP 127 Ca 0.70 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.79 2aet h TRP 127 Cb 1.59 0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 28.87 2aet h TRP 127 CO -0.11 -0.30 0.33 -1.49 -2.79 0.00 0.00 178.44 174.08 2aet h TRP 128 N -0.33 0.37 -0.25 2.65 -0.00 -1.37 -1.14 115.95 115.87 2aet h TRP 128 Ca 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 2aet h TRP 128 Cb 0.42 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 2aet h TRP 128 CO -0.26 0.19 0.08 0.00 -0.00 0.00 0.00 178.44 178.46 2aet h ALA 129 N 1.74 0.33 0.04 1.49 0.00 -0.84 -1.10 119.26 120.92 2aet h ALA 129 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2aet h ALA 129 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2aet h ALA 129 CO -0.05 -0.04 -0.02 -0.07 0.00 0.00 0.00 179.25 179.07 2aet h LEU 130 N 0.24 -0.04 -0.82 0.00 3.38 -0.91 -2.78 115.31 114.38 2aet h LEU 130 Ca 0.08 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2aet h LEU 130 Cb 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2aet h LEU 130 CO -0.00 0.44 0.53 0.58 0.09 0.00 0.00 178.44 180.08 2aet h VAL 131 N -0.54 1.14 0.00 1.22 2.07 -1.23 -0.21 116.25 118.70 2aet h VAL 131 Ca -0.01 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 2aet h VAL 131 Cb 0.49 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2aet h VAL 131 CO 0.01 0.19 -0.63 0.78 0.02 0.00 0.00 177.57 177.93 2aet h ASN 132 N 1.04 0.00 -0.29 0.57 2.35 -1.29 -0.21 115.58 117.75 2aet h ASN 132 Ca 0.32 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.91 2aet h ASN 132 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2aet h ASN 132 CO -0.10 0.63 -0.44 -0.08 -1.65 0.00 0.00 177.43 175.79 2aet h GLU 133 N 0.00 0.85 0.00 0.81 4.81 -1.16 -3.23 114.58 116.66 2aet h GLU 133 Ca -0.01 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2aet h GLU 133 Cb 1.28 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2aet h GLU 133 CO 0.08 1.11 -0.69 1.25 -0.73 0.00 0.00 179.01 180.03 2aet h HIS 134 N 0.68 0.00 -0.86 0.92 2.76 -0.97 -3.39 115.15 114.30 2aet h HIS 134 Ca 0.04 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.43 2aet h HIS 134 Cb 1.02 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.85 2aet h HIS 134 CO 0.06 0.00 0.29 0.35 -1.30 0.00 0.00 177.93 177.33 2aet h PHE 135 N 0.00 0.46 -0.79 5.26 3.04 -1.05 -1.78 116.94 122.08 2aet h PHE 135 Ca 0.00 0.04 0.18 0.00 3.98 0.00 0.00 57.97 62.18 2aet h PHE 135 Cb 0.87 -0.07 -0.12 0.00 2.56 0.00 0.00 35.95 39.20 2aet h PHE 135 CO 0.00 -0.12 0.23 -1.35 -2.02 0.00 0.00 178.31 175.05 2aet h PRO 136 N 0.30 0.28 -0.93 6.41 0.11 -1.78 0.14 132.00 136.53 2aet h PRO 136 Ca 0.53 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.84 2aet h PRO 136 Cb 1.01 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.98 2aet h PRO 136 CO -0.57 0.18 0.62 -0.91 -0.21 0.00 0.00 178.00 177.11 2aet h ASN 137 N 0.29 0.37 0.13 -2.05 -0.26 -1.64 0.42 115.58 112.83 2aet h ASN 137 Ca 0.47 0.04 -0.26 0.00 -0.56 0.00 0.00 56.30 55.99 2aet h ASN 137 Cb 0.84 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2aet h ASN 137 CO -0.54 0.13 -1.29 0.58 -1.06 0.00 0.00 177.43 175.25 2aet h VAL 138 N 0.36 1.15 0.00 2.81 2.07 -0.97 -3.37 116.25 118.30 2aet h VAL 138 Ca 0.49 -2.45 -0.07 0.00 0.82 0.00 0.00 66.70 65.50 2aet h VAL 138 Cb 1.30 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.90 2aet h VAL 138 CO -0.18 0.71 -0.32 -0.07 0.02 0.00 0.00 177.57 177.74 2aet h LEU 139 N -0.29 0.00 -2.81 2.57 3.38 0.41 -2.96 115.31 115.61 2aet h LEU 139 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2aet h LEU 139 Cb 1.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 2aet h LEU 139 CO 0.09 0.32 0.05 0.08 0.09 0.00 0.00 178.44 179.07 2aet h ARG 140 N 0.00 0.00 -0.10 1.13 0.11 -0.39 0.51 114.38 115.64 2aet h ARG 140 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2aet h ARG 140 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2aet h ARG 140 CO 0.04 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.83 2aet n HIS 141 N -3.14 0.12 -4.27 4.08 8.25 -1.12 -4.92 115.22 114.22 2aet n HIS 141 Ca -0.03 -0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 2aet n HIS 141 Cb 0.12 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 2aet n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2aet s PHE 142 N -1.88 1.38 0.72 4.41 0.40 0.17 -2.01 117.98 121.17 2aet s PHE 142 Ca 0.27 -1.20 -0.07 0.00 -0.60 0.00 0.00 56.93 55.34 2aet s PHE 142 Cb 0.14 -0.78 0.07 0.00 0.51 0.00 0.00 43.02 42.96 2aet s PHE 142 CO 0.21 -0.38 1.03 0.20 0.70 0.00 0.00 175.22 176.98 2aet s GLY 143 N -3.25 1.70 0.23 4.36 0.00 -1.26 -4.81 107.32 104.29 2aet s GLY 143 Ca 0.35 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 2aet s GLY 143 CO 0.11 -0.57 1.84 -0.56 0.00 0.00 0.00 173.10 173.92 2aet h PRO 144 N -0.65 0.85 0.90 2.90 0.13 -1.99 0.11 132.00 134.26 2aet h PRO 144 Ca -0.44 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2aet h PRO 144 Cb 1.31 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2aet h PRO 144 CO 0.57 0.56 -0.43 0.35 -0.23 0.00 0.00 178.00 178.82 2aet h PHE 145 N 0.87 -1.12 -0.84 1.56 3.57 -1.98 -1.90 116.94 117.11 2aet h PHE 145 Ca 0.34 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.91 2aet h PHE 145 Cb 0.15 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 2aet h PHE 145 CO -0.05 -0.70 0.48 0.00 -2.23 0.00 0.00 178.31 175.82 2aet h SER 147 N 0.81 0.38 -0.92 0.00 0.02 -0.85 -1.11 113.55 111.89 2aet h SER 147 Ca 0.40 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.49 2aet h SER 147 Cb 0.36 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 2aet h SER 147 CO -0.24 0.25 0.59 0.25 -1.14 0.00 0.00 176.83 176.54 2aet h LEU 148 N 0.53 0.84 -0.53 5.07 5.85 -0.42 -1.26 115.31 125.39 2aet h LEU 148 Ca 0.27 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 2aet h LEU 148 Cb 0.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2aet h LEU 148 CO -0.21 0.49 -0.03 0.78 -0.34 0.00 0.00 178.44 179.14 2aet h ASN 149 N 0.93 0.94 0.57 1.25 2.35 -0.87 -1.89 115.58 118.86 2aet h ASN 149 Ca 0.43 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2aet h ASN 149 Cb 0.40 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.52 2aet h ASN 149 CO -0.19 1.03 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.28 2aet h LEU 150 N 0.82 -0.65 -0.67 1.61 4.07 -0.68 -1.24 115.31 118.57 2aet h LEU 150 Ca 0.15 0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.25 2aet h LEU 150 Cb 0.57 0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.38 2aet h LEU 150 CO 0.03 -0.44 0.15 0.40 -1.08 0.00 0.00 178.44 177.50 2aet h ILE 151 N -0.80 0.58 0.45 1.22 2.04 -1.22 -0.56 117.51 119.22 2aet h ILE 151 Ca -0.08 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2aet h ILE 151 Cb 0.60 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2aet h ILE 151 CO 0.13 0.05 -0.21 0.03 0.00 0.00 0.00 178.15 178.14 2aet h ARG 152 N 0.27 -0.58 -0.84 2.37 3.08 -1.23 -2.42 114.38 115.03 2aet h ARG 152 Ca 0.36 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.57 2aet h ARG 152 Cb 0.58 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2aet h ARG 152 CO -0.46 -0.30 0.47 1.03 -1.07 0.00 0.00 179.97 179.64 2aet h SER 153 N -0.77 0.63 -0.52 7.04 0.87 -0.79 0.11 113.55 120.12 2aet h SER 153 Ca -0.06 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2aet h SER 153 Cb 0.54 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2aet h SER 153 CO 0.10 0.32 0.13 0.74 -0.53 0.00 0.00 176.83 177.60 2aet h THR 154 N 0.73 1.23 -0.51 2.23 2.02 -1.08 0.21 112.91 117.75 2aet h THR 154 Ca 0.43 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 2aet h THR 154 Cb 0.49 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2aet h THR 154 CO -0.29 0.32 -0.06 0.25 0.37 0.00 0.00 175.52 176.11 2aet h LEU 155 N 0.84 0.93 -0.67 2.58 5.85 -0.58 -1.53 115.31 122.73 2aet h LEU 155 Ca 0.18 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2aet h LEU 155 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2aet h LEU 155 CO -0.00 1.04 0.41 0.44 -0.34 0.00 0.00 178.44 179.99 2aet h ASP 156 N 0.79 0.79 -0.58 1.25 3.32 -0.20 -2.35 116.42 119.45 2aet h ASP 156 Ca 0.14 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2aet h ASP 156 Cb 0.60 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2aet h ASP 156 CO 0.04 0.61 0.25 0.15 -1.72 0.00 0.00 179.24 178.57 2aet h PHE 157 N 0.91 0.44 -0.48 4.55 3.57 -0.06 0.19 116.94 126.05 2aet h PHE 157 Ca 0.24 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.82 2aet h PHE 157 Cb -0.04 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 2aet h PHE 157 CO -0.02 0.16 0.20 0.35 -2.23 0.00 0.00 178.31 176.77 2aet h PHE 158 N 0.46 0.36 -0.34 0.41 3.57 -0.78 0.41 116.94 121.03 2aet h PHE 158 Ca 0.28 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 2aet h PHE 158 Cb 0.29 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2aet h PHE 158 CO -0.14 0.15 -0.22 1.49 -2.23 0.00 0.00 178.31 177.36 2aet h GLU 159 N 0.40 0.67 -0.30 1.11 4.81 -1.01 -1.92 114.58 118.34 2aet h GLU 159 Ca 0.22 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2aet h GLU 159 Cb 0.19 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2aet h GLU 159 CO -0.20 0.84 0.11 0.78 -0.73 0.00 0.00 179.01 179.81 2aet h GLY 160 N 0.99 0.38 1.22 1.92 0.00 0.53 0.18 103.07 108.29 2aet h GLY 160 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2aet h GLY 160 CO 0.05 0.04 0.29 0.00 0.00 0.00 0.00 176.54 176.93 2aet h TRP 162 N 0.99 -0.21 -0.93 0.00 2.91 -0.65 -2.41 115.95 115.65 2aet h TRP 162 Ca 0.24 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.28 2aet h TRP 162 Cb 0.16 0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 28.83 2aet h TRP 162 CO 0.01 -0.13 0.61 0.82 -1.03 0.00 0.00 178.44 178.72 2aet h ILE 163 N -0.22 1.17 0.00 2.65 2.04 -0.74 -2.42 117.51 119.99 2aet h ILE 163 Ca -0.02 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2aet h ILE 163 Cb 0.18 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2aet h ILE 163 CO 0.03 0.22 0.00 -0.33 0.00 0.00 0.00 178.15 178.06 2aet h GLU 164 N 1.19 0.00 0.00 2.37 5.08 -0.78 -1.96 114.58 120.48 2aet h GLU 164 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2aet h GLU 164 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2aet h GLU 164 CO -0.11 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.86 2aet h GLN 165 N 0.00 0.00 -0.00 2.33 4.20 -1.11 -0.33 115.11 120.20 2aet h GLN 165 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aet h GLN 165 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2aet h GLN 165 CO 0.00 0.00 -0.18 0.66 -0.67 0.00 0.00 178.83 178.64 2aet n TYR 166 N -2.32 0.00 -3.88 2.96 4.02 -0.74 -4.94 117.16 112.26 2aet n TYR 166 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 2aet n TYR 166 Cb 0.14 -0.22 0.01 0.00 -0.02 0.00 0.00 39.34 39.24 2aet n TYR 166 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2aet n ASN 167 N -1.05 -2.00 -4.35 7.72 5.15 -0.14 -4.92 115.26 115.66 2aet n ASN 167 Ca 0.12 -0.88 -0.38 0.00 -0.60 0.00 0.00 54.58 52.83 2aet n ASN 167 Cb 0.31 -3.59 -0.12 0.00 -0.53 0.00 0.00 39.78 35.84 2aet n ASN 167 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2aet s PHE 168 N -3.63 3.19 -2.29 1.20 5.36 -1.26 -4.96 117.98 115.59 2aet s PHE 168 Ca 0.24 -0.98 0.26 0.00 -0.96 0.00 0.00 56.93 55.48 2aet s PHE 168 Cb -0.12 -2.31 1.12 0.00 -0.34 0.00 0.00 43.02 41.37 2aet s PHE 168 CO 0.85 -0.60 1.77 0.41 -1.46 0.00 0.00 175.22 176.19 2aet n GLY 169 N 4.90 -0.21 0.00 13.12 0.00 -1.26 -5.02 105.19 116.72 2aet n GLY 169 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2aet n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aet n GLY 170 N 1.09 2.37 3.74 -0.02 0.00 -1.26 -4.16 105.19 106.94 2aet n GLY 170 Ca 0.18 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2aet n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aet s PHE 171 N -2.64 3.84 0.08 1.61 0.08 -1.26 -4.54 117.98 115.14 2aet s PHE 171 Ca 0.00 1.78 -0.35 0.00 0.12 0.00 0.00 56.93 58.48 2aet s PHE 171 Cb 0.00 -3.00 -0.14 0.00 -0.57 0.00 0.00 43.02 39.30 2aet s PHE 171 CO 0.00 0.27 1.59 -2.30 -0.10 0.00 0.00 175.22 174.68 2aet n PRO 172 N 2.50 1.88 0.00 0.24 -0.02 -1.26 -0.55 135.00 137.79 2aet n PRO 172 Ca 0.01 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2aet n PRO 172 Cb 0.49 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2aet n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aet n GLY 173 N 3.44 2.23 3.02 -1.23 0.00 0.90 -4.99 105.19 108.55 2aet n GLY 173 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2aet n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aet n SER 174 N 0.00 4.85 0.24 1.61 2.88 0.28 -4.82 113.62 118.67 2aet n SER 174 Ca 0.00 -3.01 0.18 0.00 -1.33 0.00 0.00 58.87 54.71 2aet n SER 174 Cb 0.00 -1.56 0.88 0.00 -0.75 0.00 0.00 64.21 62.78 2aet n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2aet h HIS 175 N 6.23 0.00 0.00 0.66 3.86 -1.85 -2.06 115.15 121.99 2aet h HIS 175 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2aet h HIS 175 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2aet h HIS 175 CO 1.28 0.00 -0.19 -0.25 0.86 0.00 0.00 177.93 179.63 2aet n ASP 176 N -3.58 0.75 -0.12 2.45 8.00 -1.26 -4.30 116.55 118.48 2aet n ASP 176 Ca 0.01 0.43 -0.07 0.00 0.71 0.00 0.00 54.79 55.86 2aet n ASP 176 Cb 0.30 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2aet n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2aet h TYR 177 N 0.00 0.40 -0.02 1.24 3.20 -1.78 -3.06 116.97 116.96 2aet h TYR 177 Ca 0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2aet h TYR 177 Cb 0.73 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 2aet h TYR 177 CO 0.00 0.23 -0.27 -1.35 -1.64 0.00 0.00 178.16 175.13 2aet h PRO 178 N 0.44 -0.39 0.00 1.82 0.11 -1.79 -1.23 132.00 130.97 2aet h PRO 178 Ca 0.16 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 2aet h PRO 178 Cb 0.03 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 2aet h PRO 178 CO -0.09 -0.26 -0.01 1.96 -0.21 0.00 0.00 178.00 179.40 2aet h GLN 179 N -0.40 0.00 -0.13 1.05 4.20 -1.85 -1.08 115.11 116.90 2aet h GLN 179 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2aet h GLN 179 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2aet h GLN 179 CO -0.25 0.01 -0.03 0.35 -0.67 0.00 0.00 178.83 178.24 2aet h PHE 180 N 0.00 0.28 -0.27 2.96 3.57 -1.38 -1.56 116.94 120.54 2aet h PHE 180 Ca -0.00 -0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 2aet h PHE 180 Cb 0.73 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2aet h PHE 180 CO 0.00 0.55 -0.53 1.25 -2.23 0.00 0.00 178.31 177.35 2aet h LEU 181 N -0.07 0.93 -1.38 0.59 5.85 -1.04 -2.63 115.31 117.56 2aet h LEU 181 Ca 0.03 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 2aet h LEU 181 Cb 0.46 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2aet h LEU 181 CO 0.01 1.29 -0.29 -0.09 -0.34 0.00 0.00 178.44 179.02 2aet h ARG 182 N 0.59 0.03 0.00 1.25 9.65 -1.20 -2.26 114.38 122.45 2aet h ARG 182 Ca 0.01 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 2aet h ARG 182 Cb 1.14 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 2aet h ARG 182 CO 0.12 0.32 -0.86 0.00 2.80 0.00 0.00 179.97 182.35 2aet h ARG 183 N 0.03 0.00 -0.08 0.20 3.08 -1.26 -2.17 114.38 114.17 2aet h ARG 183 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2aet h ARG 183 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2aet h ARG 183 CO 0.04 0.86 -0.06 0.52 -1.07 0.00 0.00 179.97 180.26 2aet h MET 184 N 0.00 0.19 -0.16 0.04 2.86 -1.04 -3.23 114.93 113.59 2aet h MET 184 Ca -0.01 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2aet h MET 184 Cb 1.64 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.30 2aet h MET 184 CO 0.11 0.58 0.00 0.27 1.06 0.00 0.00 176.91 178.93 2aet n ASN 185 N -4.72 2.00 0.07 1.22 0.23 -0.90 -2.58 115.26 110.58 2aet n ASN 185 Ca -0.07 -1.73 -0.09 0.00 -0.53 0.00 0.00 54.58 52.17 2aet n ASN 185 Cb 0.28 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 37.92 2aet n ASN 185 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2aet h GLY 186 N 4.89 0.31 -0.92 4.83 0.00 -1.41 -3.48 103.07 107.30 2aet h GLY 186 Ca 0.00 -0.48 -0.25 0.00 0.00 0.00 0.00 47.33 46.60 2aet h GLY 186 CO 0.00 0.43 -0.25 1.04 0.00 0.00 0.00 176.54 177.76 2aet n LEU 187 N -3.77 -1.08 -0.21 3.11 4.77 -1.26 -4.92 117.00 113.64 2aet n LEU 187 Ca -0.04 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2aet n LEU 187 Cb 0.74 -1.89 0.12 0.00 -2.33 0.00 0.00 43.42 40.05 2aet n LEU 187 CO 0.47 -0.49 1.00 1.23 -1.33 0.00 0.00 177.39 178.27 2aet h GLY 188 N 0.00 0.90 2.00 -0.72 0.00 -1.87 0.11 103.07 103.49 2aet h GLY 188 Ca -0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2aet h GLY 188 CO 0.36 -0.01 -0.05 0.45 0.00 0.00 0.00 176.54 177.29 2aet h HIS 189 N 0.44 0.00 0.12 5.60 3.86 -1.88 -0.67 115.15 122.63 2aet h HIS 189 Ca 0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2aet h HIS 189 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2aet h HIS 189 CO -0.16 0.05 -0.06 0.00 0.86 0.00 0.00 177.93 178.62 2aet h VAL 191 N -0.90 0.25 -0.94 0.00 2.07 -0.84 -1.40 116.25 114.49 2aet h VAL 191 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2aet h VAL 191 Cb 0.53 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2aet h VAL 191 CO 0.03 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.46 2aet h GLY 192 N -0.76 1.40 1.54 2.17 0.00 -1.23 -2.45 103.07 103.74 2aet h GLY 192 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2aet h GLY 192 CO -0.06 0.32 -0.30 0.00 0.00 0.00 0.00 176.54 176.49 2aet n ALA 193 N -2.38 2.72 1.52 3.60 0.00 -0.62 -3.52 120.51 121.82 2aet n ALA 193 Ca 0.14 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2aet n ALA 193 Cb 0.19 -1.31 0.64 0.00 0.00 0.00 0.00 19.45 18.97 2aet n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2aet n SER 194 N -1.96 0.61 -0.12 0.00 3.41 -0.54 -3.46 113.62 111.57 2aet n SER 194 Ca 0.05 -0.84 0.15 0.00 -0.26 0.00 0.00 58.87 57.97 2aet n SER 194 Cb 0.40 -0.04 0.82 0.00 -0.26 0.00 0.00 64.21 65.14 2aet n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aet n LEU 195 N -0.73 0.38 -3.62 1.04 4.77 -1.21 -4.52 117.00 113.11 2aet n LEU 195 Ca 0.17 -0.10 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 2aet n LEU 195 Cb 0.27 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2aet n LEU 195 CO 0.21 0.06 -0.11 0.79 -1.33 0.00 0.00 177.39 177.02 2aet n TRP 196 N -0.74 1.91 -2.01 -1.77 7.02 -1.22 -4.99 117.44 115.63 2aet n TRP 196 Ca 0.22 -3.96 -0.42 0.00 -1.02 0.00 0.00 57.50 52.32 2aet n TRP 196 Cb 0.18 -0.36 -0.03 0.00 -2.42 0.00 0.00 31.31 28.69 2aet n TRP 196 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2aet s PRO 197 N -1.23 4.24 0.00 -0.99 0.02 -1.26 -4.74 135.00 131.04 2aet s PRO 197 Ca 0.31 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.59 2aet s PRO 197 Cb 0.03 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2aet s PRO 197 CO -0.14 -0.59 0.41 0.36 -0.33 0.00 0.00 177.00 176.70 2aet n LYS 198 N 4.37 0.00 0.02 5.54 2.85 -0.85 -0.01 118.16 130.07 2aet n LYS 198 Ca 0.14 0.02 0.02 0.00 -1.05 0.00 0.00 58.31 57.43 2aet n LYS 198 Cb 0.40 -1.51 -0.10 0.00 -0.65 0.00 0.00 35.03 33.18 2aet n LYS 198 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2aet n GLU 199 N -0.91 0.63 0.00 -1.58 2.13 -1.26 -4.32 120.64 115.33 2aet n GLU 199 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2aet n GLU 199 Cb 0.01 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 29.99 2aet n GLU 199 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2aet n GLN 200 N -2.75 0.16 -3.90 5.31 3.00 0.99 -5.05 117.38 115.15 2aet n GLN 200 Ca -0.11 -0.43 -0.10 0.00 -0.01 0.00 0.00 57.00 56.35 2aet n GLN 200 Cb 0.81 -0.93 -0.09 0.00 0.00 0.00 0.00 30.24 30.03 2aet n GLN 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2aet s PHE 201 N -0.15 0.13 -0.39 1.08 0.40 -0.41 -4.98 117.98 113.67 2aet s PHE 201 Ca 0.00 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 2aet s PHE 201 Cb 0.00 -0.10 0.09 0.00 0.51 0.00 0.00 43.02 43.52 2aet s PHE 201 CO 0.00 -0.37 0.17 1.21 0.70 0.00 0.00 175.22 176.93 2aet s ASN 202 N -1.98 5.27 0.33 1.36 3.84 -1.26 -4.21 114.94 118.29 2aet s ASN 202 Ca -0.07 -1.71 0.12 0.00 0.21 0.00 0.00 52.86 51.42 2aet s ASN 202 Cb -0.02 -1.84 1.02 0.00 -0.55 0.00 0.00 41.25 39.85 2aet s ASN 202 CO -0.03 -0.47 1.65 -0.08 -2.79 0.00 0.00 177.10 175.38 2aet h GLU 203 N 8.13 0.26 0.01 0.43 4.81 -1.93 0.16 114.58 126.46 2aet h GLU 203 Ca -0.18 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 2aet h GLU 203 Cb 1.06 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2aet h GLU 203 CO 0.67 0.17 -0.39 0.00 -0.73 0.00 0.00 179.01 178.73 2aet h ARG 204 N 0.27 0.25 0.00 1.92 3.08 -1.98 -0.71 114.38 117.21 2aet h ARG 204 Ca 0.70 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 60.39 2aet h ARG 204 Cb 1.58 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2aet h ARG 204 CO -0.64 1.01 -0.37 0.77 -1.07 0.00 0.00 179.97 179.67 2aet h SER 205 N -0.40 0.00 -0.33 7.04 0.02 -1.80 -3.07 113.55 115.01 2aet h SER 205 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2aet h SER 205 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2aet h SER 205 CO 0.08 0.37 0.00 0.18 -1.14 0.00 0.00 176.83 176.32 2aet n LEU 206 N -3.67 3.39 -0.31 5.07 4.77 0.49 -4.75 117.00 121.99 2aet n LEU 206 Ca -0.01 -2.40 0.06 0.00 -0.03 0.00 0.00 56.01 53.63 2aet n LEU 206 Cb 0.47 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.35 2aet n LEU 206 CO 0.37 0.72 0.73 0.15 -1.33 0.00 0.00 177.39 178.02 2aet h PHE 207 N 2.07 -0.33 -0.46 -1.77 3.57 -1.02 0.12 116.94 119.12 2aet h PHE 207 Ca 0.00 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2aet h PHE 207 Cb 1.04 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2aet h PHE 207 CO 0.36 -0.37 0.19 -0.07 -2.23 0.00 0.00 178.31 176.19 2aet h LEU 208 N 0.02 0.63 -0.27 0.59 3.38 -1.86 -0.57 115.31 117.23 2aet h LEU 208 Ca 0.46 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2aet h LEU 208 Cb 0.77 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2aet h LEU 208 CO -0.88 0.63 -0.41 1.05 0.09 0.00 0.00 178.44 178.91 2aet h GLU 209 N 0.60 0.76 0.15 1.13 9.09 -1.55 -1.54 114.58 123.22 2aet h GLU 209 Ca 0.15 -0.45 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 2aet h GLU 209 Cb 0.19 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2aet h GLU 209 CO -0.01 1.08 -0.07 0.82 0.05 0.00 0.00 179.01 180.88 2aet h ILE 210 N 0.50 0.86 -0.01 -1.06 2.04 -0.76 0.94 117.51 120.02 2aet h ILE 210 Ca 0.03 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2aet h ILE 210 Cb 1.01 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2aet h ILE 210 CO 0.10 0.01 -0.22 0.74 0.00 0.00 0.00 178.15 178.77 2aet h THR 211 N -0.21 0.49 -0.58 -0.27 2.02 -1.11 -1.17 112.91 112.08 2aet h THR 211 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 2aet h THR 211 Cb 0.16 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 2aet h THR 211 CO 0.03 0.00 0.24 0.28 0.37 0.00 0.00 175.52 176.44 2aet h SER 212 N -0.34 0.28 -0.31 4.18 0.02 -1.13 -1.65 113.55 114.60 2aet h SER 212 Ca 0.06 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2aet h SER 212 Cb 0.43 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 2aet h SER 212 CO -0.21 0.18 0.06 0.00 -1.14 0.00 0.00 176.83 175.72 2aet h ALA 213 N 1.37 0.33 -0.56 3.77 0.00 -0.25 -0.50 119.26 123.43 2aet h ALA 213 Ca 0.28 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2aet h ALA 213 Cb 0.30 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2aet h ALA 213 CO -0.26 -0.34 0.18 0.82 0.00 0.00 0.00 179.25 179.65 2aet h ILE 214 N 0.18 0.76 -0.07 0.00 2.04 -0.47 1.75 117.51 121.69 2aet h ILE 214 Ca 0.14 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 2aet h ILE 214 Cb 0.15 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2aet h ILE 214 CO -0.19 0.06 -0.42 0.00 0.00 0.00 0.00 178.15 177.60 2aet h ALA 215 N 1.40 1.16 0.11 1.87 0.00 -0.71 -1.29 119.26 121.80 2aet h ALA 215 Ca 0.28 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 2aet h ALA 215 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2aet h ALA 215 CO -0.30 0.58 -1.97 1.04 0.00 0.00 0.00 179.25 178.60 2aet n GLN 216 N -4.02 0.75 -0.04 0.00 6.02 -0.25 -4.19 117.38 115.65 2aet n GLN 216 Ca -0.02 0.27 -0.03 0.00 -0.01 0.00 0.00 57.00 57.21 2aet n GLN 216 Cb 0.47 -1.72 0.21 0.00 1.02 0.00 0.00 30.24 30.23 2aet n GLN 216 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2aet h MET 217 N 0.07 0.63 -0.65 -1.09 4.05 0.26 -2.52 114.93 115.67 2aet h MET 217 Ca -0.41 -0.18 0.13 0.00 -0.28 0.00 0.00 59.70 58.97 2aet h MET 217 Cb 2.03 -0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 32.67 2aet h MET 217 CO 0.09 0.70 0.12 1.49 0.23 0.00 0.00 176.91 179.54 2aet h GLU 218 N 0.59 0.23 0.00 0.39 4.81 -1.40 0.14 114.58 119.34 2aet h GLU 218 Ca 0.11 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 2aet h GLU 218 Cb 0.48 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2aet h GLU 218 CO 0.03 0.15 -0.65 -0.91 -0.73 0.00 0.00 179.01 176.90 2aet h ASN 219 N 0.24 0.00 0.05 1.04 2.35 -1.70 -3.03 115.58 114.54 2aet h ASN 219 Ca 0.35 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2aet h ASN 219 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2aet h ASN 219 CO -0.47 0.63 -0.03 -0.25 -1.65 0.00 0.00 177.43 175.66 2aet h TRP 220 N 0.00 -0.07 -0.21 1.19 7.01 -0.95 -2.81 115.95 120.11 2aet h TRP 220 Ca -0.01 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.04 2aet h TRP 220 Cb 1.49 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 28.50 2aet h TRP 220 CO 0.00 0.52 -0.23 1.98 -2.79 0.00 0.00 178.44 177.92 2aet h MET 221 N -0.73 -0.24 -0.34 2.65 4.05 -1.11 0.18 114.93 119.39 2aet h MET 221 Ca -0.01 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 2aet h MET 221 Cb 0.61 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2aet h MET 221 CO 0.01 -0.16 -0.15 -0.39 0.23 0.00 0.00 176.91 176.45 2aet h VAL 222 N -0.25 1.29 -0.17 -5.77 -1.51 -1.64 -2.64 116.25 105.56 2aet h VAL 222 Ca 0.13 -1.25 -0.11 0.00 -1.23 0.00 0.00 66.70 64.24 2aet h VAL 222 Cb 0.44 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 2aet h VAL 222 CO -0.36 0.41 -0.35 -0.50 -1.23 0.00 0.00 177.57 175.54 2aet h TRP 223 N 0.48 0.41 -0.43 5.19 6.55 -1.36 0.57 115.95 127.36 2aet h TRP 223 Ca 0.08 -0.10 -0.13 0.00 0.95 0.00 0.00 58.89 59.68 2aet h TRP 223 Cb 0.68 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.87 2aet h TRP 223 CO 0.06 0.67 -0.26 0.28 -1.05 0.00 0.00 178.44 178.13 2aet h VAL 224 N 0.30 1.27 -0.38 1.49 2.07 -0.96 0.75 116.25 120.80 2aet h VAL 224 Ca 0.03 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 2aet h VAL 224 Cb 0.77 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2aet h VAL 224 CO 0.06 0.48 -0.09 -1.13 0.02 0.00 0.00 177.57 176.91 2aet h ASN 225 N 0.77 0.74 -0.80 0.57 -0.73 -1.14 -0.91 115.58 114.08 2aet h ASN 225 Ca 0.09 -0.36 0.06 0.00 1.87 0.00 0.00 56.30 57.96 2aet h ASN 225 Cb 0.83 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 39.16 2aet h ASN 225 CO 0.07 0.93 0.49 0.44 -0.37 0.00 0.00 177.43 178.99 2aet h ASP 226 N 0.53 0.76 0.58 1.15 3.32 -0.61 -1.03 116.42 121.12 2aet h ASP 226 Ca 0.10 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2aet h ASP 226 Cb 0.61 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2aet h ASP 226 CO 0.04 0.49 -0.28 0.25 -1.72 0.00 0.00 179.24 178.01 2aet h LEU 227 N 0.89 -0.66 -1.73 1.55 5.85 -0.53 -2.29 115.31 118.39 2aet h LEU 227 Ca 0.35 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.06 2aet h LEU 227 Cb 0.17 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2aet h LEU 227 CO -0.17 -0.34 0.22 0.24 -0.34 0.00 0.00 178.44 178.05 2aet h MET 228 N -1.00 0.34 0.00 1.25 2.86 -1.10 -1.47 114.93 115.81 2aet h MET 228 Ca -0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2aet h MET 228 Cb 0.66 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2aet h MET 228 CO 0.13 0.23 0.00 0.77 1.06 0.00 0.00 176.91 179.10 2aet h SER 229 N 0.35 0.00 -0.52 1.22 0.02 -1.16 -3.32 113.55 110.14 2aet h SER 229 Ca 0.13 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.23 2aet h SER 229 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2aet h SER 229 CO -0.03 0.00 0.50 0.15 -1.14 0.00 0.00 176.83 176.31 2aet h PHE 230 N 0.00 0.00 0.00 3.45 3.57 -0.66 -2.06 116.94 121.25 2aet h PHE 230 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2aet h PHE 230 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2aet h PHE 230 CO 0.00 0.00 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.99 2aet h TYR 231 N 0.00 0.17 -0.33 0.41 3.20 -1.76 -2.52 116.97 116.13 2aet h TYR 231 Ca 0.25 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 2aet h TYR 231 Cb 1.24 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2aet h TYR 231 CO 0.00 0.90 -0.29 1.57 -1.64 0.00 0.00 178.16 178.70 2aet h LYS 232 N -0.62 0.69 0.00 1.82 2.10 -1.64 -3.02 116.57 115.90 2aet h LYS 232 Ca -0.02 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2aet h LYS 232 Cb 0.95 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2aet h LYS 232 CO 0.03 0.90 0.00 0.39 -2.00 0.00 0.00 179.45 178.77 2aet n GLU 233 N -4.08 0.25 -0.13 0.07 1.02 -0.82 -3.98 120.64 112.96 2aet n GLU 233 Ca -0.01 0.27 -0.07 0.00 -0.02 0.00 0.00 57.16 57.33 2aet n GLU 233 Cb 0.46 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2aet n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2aet h PHE 234 N 0.00 -0.95 -0.45 -0.32 3.57 -1.31 -2.37 116.94 115.10 2aet h PHE 234 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2aet h PHE 234 Cb 0.65 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2aet h PHE 234 CO 0.00 -0.39 0.00 -0.25 -2.23 0.00 0.00 178.31 175.44 2aet n ASP 235 N -5.42 3.49 -4.56 0.41 8.00 -1.26 -4.88 116.55 112.33 2aet n ASP 235 Ca 0.01 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.18 2aet n ASP 235 Cb 0.34 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 2aet n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aet s ASP 236 N -1.31 5.86 0.07 -2.24 2.15 -0.90 -4.78 116.67 115.53 2aet s ASP 236 Ca 0.39 -0.91 0.11 0.00 0.43 0.00 0.00 52.55 52.57 2aet s ASP 236 Cb 0.22 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.78 2aet s ASP 236 CO 0.30 -2.07 1.35 -0.62 -0.17 0.00 0.00 175.17 173.96 2aet n GLU 237 N 8.95 0.04 -0.02 4.34 1.02 -1.26 -1.71 120.64 132.01 2aet n GLU 237 Ca 0.32 0.42 -0.17 0.00 -0.02 0.00 0.00 57.16 57.71 2aet n GLU 237 Cb 0.49 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 2aet n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aet h ARG 238 N 0.00 0.14 -6.11 3.49 3.08 -1.97 -3.41 114.38 109.61 2aet h ARG 238 Ca 0.00 -0.24 -0.51 0.00 0.07 0.00 0.00 59.98 59.30 2aet h ARG 238 Cb 0.14 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2aet h ARG 238 CO 0.00 1.10 1.26 0.34 -1.07 0.00 0.00 179.97 181.60 2aet s ASP 239 N -6.55 5.57 -0.01 7.04 2.15 -0.69 -4.82 116.67 119.35 2aet s ASP 239 Ca -0.16 0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.04 2aet s ASP 239 Cb -0.01 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.87 2aet s ASP 239 CO 0.76 -2.20 0.41 0.00 -0.17 0.00 0.00 175.17 173.97 2aet n GLN 240 N 9.25 1.06 -2.23 4.34 6.02 -1.26 -4.75 117.38 129.81 2aet n GLN 240 Ca 0.15 -0.09 -0.26 0.00 -0.01 0.00 0.00 57.00 56.79 2aet n GLN 240 Cb 0.51 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.50 2aet n GLN 240 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2aet n ILE 241 N -1.79 2.48 -1.28 5.09 -5.35 -1.26 -4.80 119.36 112.45 2aet n ILE 241 Ca -0.01 -4.54 -0.31 0.00 -0.27 0.00 0.00 62.75 57.62 2aet n ILE 241 Cb 0.33 -1.20 0.10 0.00 -1.74 0.00 0.00 39.64 37.13 2aet n ILE 241 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2aet s SER 242 N -3.53 4.26 0.42 7.28 1.04 -1.26 -4.71 113.70 117.20 2aet s SER 242 Ca 0.50 1.68 0.18 0.00 0.48 0.00 0.00 55.95 58.79 2aet s SER 242 Cb 0.41 -2.39 1.09 0.00 0.10 0.00 0.00 66.02 65.23 2aet s SER 242 CO -0.07 -2.17 1.86 0.25 0.98 0.00 0.00 173.24 174.09 2aet h LEU 243 N -1.22 0.39 0.15 2.42 5.85 -1.98 0.18 115.31 121.10 2aet h LEU 243 Ca -0.45 0.04 -0.28 0.00 0.84 0.00 0.00 57.88 58.02 2aet h LEU 243 Cb 1.25 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 42.27 2aet h LEU 243 CO 0.53 0.16 -1.20 0.58 -0.34 0.00 0.00 178.44 178.17 2aet h VAL 244 N 0.39 1.32 0.00 1.05 2.07 -1.94 -2.62 116.25 116.53 2aet h VAL 244 Ca 0.46 -2.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 2aet h VAL 244 Cb 1.16 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2aet h VAL 244 CO -0.17 0.75 -0.29 0.11 0.02 0.00 0.00 177.57 177.99 2aet h LYS 245 N 0.13 0.00 -0.26 1.57 1.57 -1.54 -2.29 116.57 115.76 2aet h LYS 245 Ca -0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.40 2aet h LYS 245 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2aet h LYS 245 CO 0.23 0.29 -0.56 -0.91 -0.57 0.00 0.00 179.45 177.92 2aet h ASN 246 N 0.00 0.94 -0.86 0.86 2.35 -0.74 -2.46 115.58 115.67 2aet h ASN 246 Ca -0.00 -0.55 0.04 0.00 -0.55 0.00 0.00 56.30 55.24 2aet h ASN 246 Cb 0.51 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 2aet h ASN 246 CO 0.04 1.32 0.56 1.88 -1.65 0.00 0.00 177.43 179.58 2aet h TYR 247 N 0.60 1.02 -0.07 1.19 0.05 -1.05 0.80 116.97 119.51 2aet h TYR 247 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2aet h TYR 247 Cb 1.18 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 2aet h TYR 247 CO 0.08 0.57 0.05 0.28 -1.05 0.00 0.00 178.16 178.09 2aet h VAL 248 N 1.04 1.05 -0.02 -2.88 2.07 -1.23 -0.90 116.25 115.39 2aet h VAL 248 Ca 0.35 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 2aet h VAL 248 Cb 0.09 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2aet h VAL 248 CO -0.11 0.04 -0.21 0.58 0.02 0.00 0.00 177.57 177.89 2aet h VAL 249 N 0.07 1.52 -0.24 2.57 2.07 -0.91 -1.75 116.25 119.58 2aet h VAL 249 Ca 0.03 -1.82 -0.14 0.00 0.82 0.00 0.00 66.70 65.58 2aet h VAL 249 Cb 0.03 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2aet h VAL 249 CO -0.01 0.50 -0.41 0.28 0.02 0.00 0.00 177.57 177.95 2aet h SER 250 N -0.46 0.77 0.66 0.57 0.02 0.54 -3.32 113.55 112.33 2aet h SER 250 Ca -0.02 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2aet h SER 250 Cb 0.93 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2aet h SER 250 CO 0.04 1.15 -1.09 0.47 -1.14 0.00 0.00 176.83 176.26 2aet n ASP 251 N -4.20 0.64 -2.74 3.07 8.00 -0.35 -0.07 116.55 120.91 2aet n ASP 251 Ca -0.05 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 2aet n ASP 251 Cb 0.54 0.73 0.05 0.00 -0.02 0.00 0.00 41.12 42.43 2aet n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2aet n GLU 252 N -2.30 -1.89 -4.34 -1.24 1.02 -0.67 -4.86 120.64 106.36 2aet n GLU 252 Ca 0.01 0.62 -0.17 0.00 -0.02 0.00 0.00 57.16 57.59 2aet n GLU 252 Cb 0.50 -4.61 -0.10 0.00 -0.02 0.00 0.00 31.44 27.21 2aet n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2aet s ILE 253 N -3.27 0.81 0.54 -3.67 -4.36 -1.14 -5.06 121.20 105.05 2aet s ILE 253 Ca 0.30 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.51 2aet s ILE 253 Cb -0.04 -2.56 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 2aet s ILE 253 CO 0.52 -0.12 1.03 -0.94 0.24 0.00 0.00 174.94 175.68 2aet s SER 254 N -3.33 6.16 0.42 4.36 1.04 -1.26 -4.51 113.70 116.57 2aet s SER 254 Ca 0.34 1.77 0.19 0.00 0.48 0.00 0.00 55.95 58.73 2aet s SER 254 Cb 0.07 -2.53 1.11 0.00 0.10 0.00 0.00 66.02 64.77 2aet s SER 254 CO 0.12 -0.90 1.82 0.25 0.98 0.00 0.00 173.24 175.51 2aet h LEU 255 N 0.87 0.40 0.25 2.42 5.85 -1.96 0.82 115.31 123.96 2aet h LEU 255 Ca -0.47 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2aet h LEU 255 Cb 1.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2aet h LEU 255 CO 0.59 0.13 -0.12 -0.74 -0.34 0.00 0.00 178.44 177.96 2aet h HIS 256 N 0.38 -0.31 -0.84 1.25 2.76 -1.99 -0.22 115.15 116.19 2aet h HIS 256 Ca 0.52 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.72 2aet h HIS 256 Cb 1.35 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 30.35 2aet h HIS 256 CO -0.00 -0.10 0.54 0.93 -1.30 0.00 0.00 177.93 177.99 2aet h GLU 257 N -0.46 0.99 -0.37 5.26 5.08 -1.30 0.12 114.58 123.90 2aet h GLU 257 Ca -0.03 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2aet h GLU 257 Cb 0.35 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2aet h GLU 257 CO 0.06 0.66 0.15 0.00 -1.00 0.00 0.00 179.01 178.87 2aet h ALA 258 N 1.37 0.44 -0.03 3.43 0.00 -0.73 0.65 119.26 124.39 2aet h ALA 258 Ca 0.35 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2aet h ALA 258 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2aet h ALA 258 CO -0.13 -0.24 -0.15 1.25 0.00 0.00 0.00 179.25 179.98 2aet h LEU 259 N 0.31 0.04 -0.39 0.00 5.85 0.11 -2.04 115.31 119.19 2aet h LEU 259 Ca 0.17 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2aet h LEU 259 Cb 0.13 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2aet h LEU 259 CO -0.16 0.19 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.75 2aet h GLU 260 N 0.04 0.73 -0.21 1.25 5.08 0.14 -1.88 114.58 119.73 2aet h GLU 260 Ca 0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2aet h GLU 260 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2aet h GLU 260 CO 0.02 0.85 0.14 -0.22 -1.00 0.00 0.00 179.01 178.80 2aet h LYS 261 N 0.54 0.27 -0.28 2.33 3.64 -0.58 -1.28 116.57 121.21 2aet h LYS 261 Ca 0.10 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2aet h LYS 261 Cb 0.56 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2aet h LYS 261 CO 0.03 0.18 0.07 1.25 -2.27 0.00 0.00 179.45 178.71 2aet h LEU 262 N 0.28 0.05 -0.60 5.20 5.85 -1.23 -0.67 115.31 124.19 2aet h LEU 262 Ca 0.08 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2aet h LEU 262 Cb -0.03 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2aet h LEU 262 CO -0.02 0.06 0.20 0.71 -0.34 0.00 0.00 178.44 179.05 2aet h THR 263 N 0.18 1.24 -0.63 1.05 1.35 -1.20 0.68 112.91 115.58 2aet h THR 263 Ca 0.13 -0.81 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 2aet h THR 263 Cb 0.12 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 2aet h THR 263 CO -0.16 0.31 0.41 1.56 -0.25 0.00 0.00 175.52 177.40 2aet h GLN 264 N 0.85 0.82 -0.30 4.72 4.20 -0.92 0.13 115.11 124.61 2aet h GLN 264 Ca 0.19 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 2aet h GLN 264 Cb 0.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2aet h GLN 264 CO -0.01 0.54 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.11 2aet h ASP 265 N 0.85 0.65 0.22 1.46 3.32 -0.92 -2.31 116.42 119.68 2aet h ASP 265 Ca 0.23 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2aet h ASP 265 Cb -0.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2aet h ASP 265 CO -0.05 0.91 -0.10 0.74 -1.72 0.00 0.00 179.24 179.01 2aet h THR 266 N 0.39 0.82 -0.26 0.35 2.02 -0.51 0.61 112.91 116.32 2aet h THR 266 Ca 0.07 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.09 2aet h THR 266 Cb 0.66 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2aet h THR 266 CO 0.04 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 176.03 2aet h LEU 267 N -0.38 0.19 -0.16 2.58 3.38 -0.82 -0.97 115.31 119.14 2aet h LEU 267 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2aet h LEU 267 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2aet h LEU 267 CO 0.05 0.15 0.10 -0.74 0.09 0.00 0.00 178.44 178.09 2aet h HIS 268 N 0.27 0.21 -0.87 1.13 2.76 -1.37 -1.56 115.15 115.73 2aet h HIS 268 Ca 0.11 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.44 2aet h HIS 268 Cb 0.03 -0.07 -0.10 0.00 1.55 0.00 0.00 27.41 28.82 2aet h HIS 268 CO -0.09 0.17 0.44 1.03 -1.30 0.00 0.00 177.93 178.17 2aet h SER 269 N 0.19 0.50 0.68 3.26 0.87 -0.49 -1.61 113.55 116.95 2aet h SER 269 Ca 0.06 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2aet h SER 269 Cb 0.02 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2aet h SER 269 CO -0.01 0.18 -0.33 0.28 -0.53 0.00 0.00 176.83 176.42 2aet h SER 270 N 0.58 -0.77 -0.50 6.23 0.02 -0.58 -2.05 113.55 116.48 2aet h SER 270 Ca 0.49 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.54 2aet h SER 270 Cb 0.75 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.40 2aet h SER 270 CO -0.40 -0.51 -0.05 0.50 -1.14 0.00 0.00 176.83 175.23 2aet h LYS 271 N -0.98 0.06 -0.01 3.45 3.64 -0.56 -0.43 116.57 121.74 2aet h LYS 271 Ca -0.09 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2aet h LYS 271 Cb 0.72 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2aet h LYS 271 CO 0.15 0.04 -0.33 1.96 -2.27 0.00 0.00 179.45 179.00 2aet h GLN 272 N 0.06 0.02 0.26 1.90 1.08 -1.32 0.78 115.11 117.89 2aet h GLN 272 Ca 0.25 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 2aet h GLN 272 Cb 0.38 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2aet h GLN 272 CO -0.46 0.35 -0.13 1.98 -0.95 0.00 0.00 178.83 179.62 2aet h MET 273 N 0.02 -0.34 0.26 1.46 4.05 -0.34 -2.44 114.93 117.60 2aet h MET 273 Ca 0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2aet h MET 273 Cb 0.60 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2aet h MET 273 CO 0.04 -0.21 -0.13 0.28 0.23 0.00 0.00 176.91 177.13 2aet h VAL 274 N -0.38 0.78 0.00 -5.77 2.07 -1.20 -2.58 116.25 109.18 2aet h VAL 274 Ca -0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2aet h VAL 274 Cb 0.29 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2aet h VAL 274 CO 0.06 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.71 2aet n ALA 275 N -2.33 1.58 0.00 1.67 0.00 0.25 -2.25 120.51 119.43 2aet n ALA 275 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2aet n ALA 275 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2aet n ALA 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aet n VAL 276 N -0.54 0.00 0.78 0.00 0.31 -0.93 -4.86 118.33 113.09 2aet n VAL 276 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2aet n VAL 276 Cb 0.00 -0.46 -0.09 0.00 -0.91 0.00 0.00 33.84 32.38 2aet n VAL 276 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2aet n PHE 277 N -1.26 0.00 0.03 3.52 3.72 -0.96 -4.63 117.46 117.88 2aet n PHE 277 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2aet n PHE 277 Cb 0.24 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2aet n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2aet h SER 278 N 0.05 -0.27 0.00 4.37 0.02 -1.75 -2.35 113.55 113.62 2aet h SER 278 Ca 0.00 0.03 -0.45 0.00 -0.84 0.00 0.00 61.79 60.53 2aet h SER 278 Cb 0.39 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2aet h SER 278 CO 0.00 -0.10 2.27 -0.90 -1.14 0.00 0.00 176.83 176.96 2aet n ASP 279 N -2.94 6.63 -4.14 3.07 5.75 -1.26 -4.80 116.55 118.85 2aet n ASP 279 Ca -0.02 -2.45 -0.11 0.00 -0.01 0.00 0.00 54.79 52.21 2aet n ASP 279 Cb 0.07 -1.36 -0.10 0.00 -1.03 0.00 0.00 41.12 38.70 2aet n ASP 279 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2aet s LYS 280 N 2.13 0.76 -0.34 0.11 3.01 -0.88 -5.06 119.74 119.46 2aet s LYS 280 Ca 0.60 -1.23 -0.31 0.00 -1.01 0.00 0.00 55.97 54.02 2aet s LYS 280 Cb 0.20 -0.18 -0.13 0.00 -1.01 0.00 0.00 37.83 36.70 2aet s LYS 280 CO -0.04 -0.02 1.30 -3.47 0.51 0.00 0.00 175.35 173.64 2aet n ASP 281 N 0.22 0.66 -0.24 2.83 -0.08 -1.26 -4.57 116.55 114.11 2aet n ASP 281 Ca -0.14 0.63 -0.05 0.00 -1.51 0.00 0.00 54.79 53.72 2aet n ASP 281 Cb 0.60 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2aet n ASP 281 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2aet h PRO 282 N 4.91 -0.13 -0.96 -0.67 0.11 -1.92 0.79 132.00 134.12 2aet h PRO 282 Ca -0.18 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.17 2aet h PRO 282 Cb 0.96 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 2aet h PRO 282 CO 0.72 -0.09 0.63 0.37 -0.21 0.00 0.00 178.00 179.41 2aet h GLN 283 N -0.14 0.40 0.09 1.05 4.15 -1.99 0.33 115.11 119.00 2aet h GLN 283 Ca 0.24 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 2aet h GLN 283 Cb 0.56 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2aet h GLN 283 CO -0.75 0.27 -0.04 0.28 -1.93 0.00 0.00 178.83 176.65 2aet h VAL 284 N 0.41 1.14 0.00 2.39 2.07 -1.21 -2.65 116.25 118.40 2aet h VAL 284 Ca 0.52 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2aet h VAL 284 Cb 1.29 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2aet h VAL 284 CO -0.22 0.29 -0.02 -0.03 0.02 0.00 0.00 177.57 177.61 2aet h MET 285 N -0.75 0.00 0.11 1.57 1.85 -0.21 -1.11 114.93 116.39 2aet h MET 285 Ca -0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 2aet h MET 285 Cb 0.57 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.60 2aet h MET 285 CO 0.02 0.02 -0.05 0.22 -0.40 0.00 0.00 176.91 176.72 2aet h ASP 286 N 0.00 -0.13 -0.56 1.39 3.58 -0.39 0.35 116.42 120.67 2aet h ASP 286 Ca -0.00 -0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.22 2aet h ASP 286 Cb 0.04 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.06 2aet h ASP 286 CO 0.00 0.25 0.23 0.74 -2.88 0.00 0.00 179.24 177.58 2aet h THR 287 N -0.52 0.84 -0.04 2.25 2.02 -1.01 0.23 112.91 116.68 2aet h THR 287 Ca -0.02 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2aet h THR 287 Cb 0.42 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2aet h THR 287 CO 0.03 0.08 0.01 0.40 0.37 0.00 0.00 175.52 176.40 2aet h ILE 288 N 0.42 1.22 -0.60 3.11 2.04 -1.12 -1.22 117.51 121.36 2aet h ILE 288 Ca 0.27 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2aet h ILE 288 Cb 0.28 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2aet h ILE 288 CO -0.25 0.18 0.20 -0.08 0.00 0.00 0.00 178.15 178.21 2aet h GLU 289 N -0.19 0.90 -0.47 2.37 4.81 0.03 -2.50 114.58 119.53 2aet h GLU 289 Ca 0.01 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 2aet h GLU 289 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2aet h GLU 289 CO 0.00 0.76 -0.19 0.00 -0.73 0.00 0.00 179.01 178.86 2aet h PHE 291 N 0.79 -0.23 -0.35 0.00 3.57 -0.88 0.06 116.94 119.90 2aet h PHE 291 Ca 0.11 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2aet h PHE 291 Cb 0.76 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 2aet h PHE 291 CO 0.05 -0.15 -0.02 0.52 -2.23 0.00 0.00 178.31 176.48 2aet h MET 292 N -0.09 0.07 -0.01 1.11 2.86 -1.35 0.99 114.93 118.50 2aet h MET 292 Ca 0.09 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2aet h MET 292 Cb 0.23 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2aet h MET 292 CO -0.22 0.04 0.00 0.45 1.06 0.00 0.00 176.91 178.25 2aet h HIS 293 N 0.07 0.02 -0.56 -0.22 3.86 -1.13 -1.75 115.15 115.44 2aet h HIS 293 Ca 0.17 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2aet h HIS 293 Cb 0.24 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2aet h HIS 293 CO -0.27 0.29 0.33 0.78 0.86 0.00 0.00 177.93 179.92 2aet h GLY 294 N -0.25 0.81 0.51 2.45 0.00 -0.85 0.15 103.07 105.89 2aet h GLY 294 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.07 2aet h GLY 294 CO 0.00 0.33 0.29 -1.82 0.00 0.00 0.00 176.54 175.34 2aet h TYR 295 N 0.75 0.53 -0.40 5.60 3.20 -0.76 0.77 116.97 126.65 2aet h TYR 295 Ca 0.20 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 2aet h TYR 295 Cb -0.01 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2aet h TYR 295 CO -0.02 0.19 -0.34 0.28 -1.64 0.00 0.00 178.16 176.63 2aet h VAL 296 N 0.52 1.27 0.07 1.81 2.07 -0.75 -2.96 116.25 118.29 2aet h VAL 296 Ca 0.31 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2aet h VAL 296 Cb 0.31 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2aet h VAL 296 CO -0.25 0.51 -0.18 0.74 0.02 0.00 0.00 177.57 178.41 2aet h THR 297 N 0.78 0.59 -0.63 2.57 2.02 0.27 -2.21 112.91 116.29 2aet h THR 297 Ca 0.07 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.38 2aet h THR 297 Cb 0.94 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 67.83 2aet h THR 297 CO 0.09 0.00 0.04 -0.25 0.37 0.00 0.00 175.52 175.77 2aet h TRP 298 N -0.33 0.04 0.20 3.16 7.01 -0.88 0.59 115.95 125.74 2aet h TRP 298 Ca 0.03 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2aet h TRP 298 Cb 0.36 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 2aet h TRP 298 CO -0.19 -0.14 -0.16 0.45 -2.79 0.00 0.00 178.44 175.61 2aet h HIS 299 N 0.16 -0.41 0.00 2.65 3.86 -1.31 0.29 115.15 120.39 2aet h HIS 299 Ca 0.33 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 2aet h HIS 299 Cb 0.54 0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 2aet h HIS 299 CO -0.33 -0.24 -0.04 -0.07 0.86 0.00 0.00 177.93 178.10 2aet h LEU 300 N -0.36 0.00 0.11 2.43 3.38 -0.75 -3.25 115.31 116.87 2aet h LEU 300 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2aet h LEU 300 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2aet h LEU 300 CO -0.01 0.04 -1.88 0.00 0.09 0.00 0.00 178.44 176.68 2aet s ASP 302 N -7.04 6.59 0.09 0.00 -1.08 0.98 -4.85 116.67 111.37 2aet s ASP 302 Ca -0.23 2.53 0.09 0.00 -0.52 0.00 0.00 52.55 54.42 2aet s ASP 302 Cb 0.06 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.39 2aet s ASP 302 CO 0.75 -0.87 1.28 0.54 0.52 0.00 0.00 175.17 177.39 2aet n ARG 303 N 5.12 0.04 -0.28 4.34 1.74 -1.26 -2.29 116.66 124.08 2aet n ARG 303 Ca 0.15 0.48 -0.05 0.00 -0.77 0.00 0.00 57.85 57.66 2aet n ARG 303 Cb 0.40 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 2aet n ARG 303 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2aet h LYS 304 N 0.00 1.05 -0.00 5.56 3.64 -1.92 -2.49 116.57 122.41 2aet h LYS 304 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2aet h LYS 304 Cb 0.08 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2aet h LYS 304 CO 0.00 0.75 -0.17 0.66 -2.27 0.00 0.00 179.45 178.42 2aet n TYR 305 N -4.48 0.00 -2.76 1.91 4.01 -0.97 -4.94 117.16 109.93 2aet n TYR 305 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 2aet n TYR 305 Cb 0.07 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 2aet n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2aet n ARG 306 N -1.14 -2.66 0.23 -0.72 1.74 -0.94 -4.37 116.66 108.81 2aet n ARG 306 Ca 0.11 0.35 0.16 0.00 -0.77 0.00 0.00 57.85 57.70 2aet n ARG 306 Cb 0.30 -4.94 0.65 0.00 -1.02 0.00 0.00 32.46 27.45 2aet n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2aet h LEU 307 N -0.25 0.00 -2.29 0.55 3.38 -1.84 -2.31 115.31 112.55 2aet h LEU 307 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2aet h LEU 307 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2aet h LEU 307 CO 0.30 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.57 2aet h SER 308 N 0.00 0.00 -0.47 -0.43 4.64 -1.87 -1.02 113.55 114.40 2aet h SER 308 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2aet h SER 308 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2aet h SER 308 CO 0.00 0.03 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.57 2aet h GLU 309 N 0.00 0.89 -0.46 4.77 5.08 -1.80 -0.69 114.58 122.37 2aet h GLU 309 Ca -0.00 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 2aet h GLU 309 Cb 0.22 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2aet h GLU 309 CO 0.00 0.97 -0.18 0.82 -1.00 0.00 0.00 179.01 179.63 2aet h ILE 310 N 0.73 1.27 0.27 3.13 2.04 -1.37 -2.57 117.51 121.01 2aet h ILE 310 Ca 0.12 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 2aet h ILE 310 Cb 0.63 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2aet h ILE 310 CO 0.04 0.45 -0.13 0.22 0.00 0.00 0.00 178.15 178.73 2aet h TYR 311 N 0.78 -0.34 0.00 1.37 3.20 -1.21 -2.23 116.97 118.55 2aet h TYR 311 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2aet h TYR 311 Cb 0.72 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2aet h TYR 311 CO 0.04 -0.18 0.00 1.49 -1.64 0.00 0.00 178.16 177.88 2aet h GLU 312 N -0.41 0.00 -0.01 1.82 4.57 -1.02 -0.27 114.58 119.26 2aet h GLU 312 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2aet h GLU 312 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2aet h GLU 312 CO 0.06 0.00 -0.54 1.63 -1.18 0.00 0.00 179.01 178.98 2aet n LYS 313 N -2.31 1.49 -0.03 1.92 5.02 -0.88 -4.47 118.16 118.89 2aet n LYS 313 Ca -0.01 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 2aet n LYS 313 Cb 0.04 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2aet n LYS 313 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2aet n VAL 314 N -0.60 0.26 -0.02 -0.18 0.24 -0.75 -4.83 118.33 112.45 2aet n VAL 314 Ca 0.06 -0.26 0.09 0.00 -2.04 0.00 0.00 64.34 62.19 2aet n VAL 314 Cb 0.33 0.84 0.50 0.00 -1.47 0.00 0.00 33.84 34.04 2aet n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2aet h LYS 315 N 0.00 0.39 -3.47 7.34 3.64 -1.30 -3.32 116.57 119.85 2aet h LYS 315 Ca 0.00 -0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.66 2aet h LYS 315 Cb 0.91 -0.09 -0.35 0.00 -0.41 0.00 0.00 32.23 32.29 2aet h LYS 315 CO 0.00 0.26 -0.29 -1.21 -2.27 0.00 0.00 179.45 175.94 2aet s GLU 316 N -5.38 2.79 -0.27 1.90 2.02 -1.26 -4.96 118.70 113.54 2aet s GLU 316 Ca -0.07 -2.79 -0.18 0.00 0.02 0.00 0.00 54.97 51.95 2aet s GLU 316 Cb 0.19 -3.80 0.08 0.00 0.10 0.00 0.00 34.13 30.69 2aet s GLU 316 CO 0.73 -1.21 0.68 -1.21 0.02 0.00 0.00 175.26 174.28 2aet s GLU 317 N -0.51 0.73 0.00 1.61 2.02 -1.25 -5.02 118.70 116.28 2aet s GLU 317 Ca 0.20 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.35 2aet s GLU 317 Cb -0.16 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2aet s GLU 317 CO -0.07 -0.14 0.74 1.63 0.02 0.00 0.00 175.26 177.45 2aet n LYS 318 N 3.95 0.79 -2.15 1.61 5.02 -1.26 -4.39 118.16 121.73 2aet n LYS 318 Ca -0.19 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.74 2aet n LYS 318 Cb 0.58 -1.05 0.01 0.00 -0.02 0.00 0.00 35.03 34.55 2aet n LYS 318 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aet s THR 319 N -1.88 2.91 -0.01 -0.18 2.01 -1.26 -4.96 115.64 112.28 2aet s THR 319 Ca 0.00 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 2aet s THR 319 Cb 0.00 -3.25 -0.19 0.00 0.01 0.00 0.00 72.50 69.07 2aet s THR 319 CO 0.00 -0.10 1.27 -0.08 -0.69 0.00 0.00 174.62 175.03 2aet h GLU 320 N 1.26 -0.09 0.72 4.92 4.81 -2.00 -2.93 114.58 121.27 2aet h GLU 320 Ca -0.50 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2aet h GLU 320 Cb 1.27 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.68 2aet h GLU 320 CO 0.57 0.32 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.38 2aet h ASP 321 N -0.52 -0.81 -0.99 1.04 3.32 -1.96 -0.81 116.42 115.68 2aet h ASP 321 Ca -0.01 0.01 0.35 0.00 0.02 0.00 0.00 57.03 57.40 2aet h ASP 321 Cb 0.45 0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.03 2aet h ASP 321 CO 0.02 -0.53 0.32 0.00 -1.72 0.00 0.00 179.24 177.33 2aet h ALA 322 N -0.80 1.72 0.16 3.45 0.00 -1.90 0.62 119.26 122.52 2aet h ALA 322 Ca -0.10 0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 2aet h ALA 322 Cb 0.76 0.43 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2aet h ALA 322 CO 0.16 -0.76 -1.30 1.96 0.00 0.00 0.00 179.25 179.30 2aet h GLN 323 N 0.03 0.46 -0.21 0.00 4.20 -1.39 -2.81 115.11 115.39 2aet h GLN 323 Ca 0.73 -0.71 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2aet h GLN 323 Cb 1.77 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 29.79 2aet h GLN 323 CO -0.82 1.33 -0.12 0.87 -0.67 0.00 0.00 178.83 179.41 2aet h LYS 324 N 0.16 0.34 0.33 1.46 1.57 0.13 0.23 116.57 120.79 2aet h LYS 324 Ca -0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2aet h LYS 324 Cb 2.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2aet h LYS 324 CO 0.23 0.47 -0.16 0.35 -0.57 0.00 0.00 179.45 179.77 2aet h PHE 325 N 0.32 -0.42 -0.70 -1.35 3.57 -0.03 -1.80 116.94 116.54 2aet h PHE 325 Ca 0.06 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2aet h PHE 325 Cb 0.42 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2aet h PHE 325 CO 0.01 -0.10 0.40 0.00 -2.23 0.00 0.00 178.31 176.39 2aet h LYS 327 N 0.75 0.25 0.14 0.00 1.57 -0.50 0.60 116.57 119.38 2aet h LYS 327 Ca 0.31 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2aet h LYS 327 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2aet h LYS 327 CO -0.17 0.16 -0.07 0.74 -0.57 0.00 0.00 179.45 179.55 2aet h PHE 328 N 0.26 -0.17 -0.47 -1.35 0.04 -0.37 -2.31 116.94 112.57 2aet h PHE 328 Ca 0.22 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.09 2aet h PHE 328 Cb 0.27 0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.39 2aet h PHE 328 CO -0.20 -0.01 -0.15 -0.92 -0.60 0.00 0.00 178.31 176.43 2aet h TYR 329 N -0.30 -0.35 0.00 -0.55 5.03 0.44 0.24 116.97 121.48 2aet h TYR 329 Ca -0.02 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 2aet h TYR 329 Cb 0.24 0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 2aet h TYR 329 CO -0.03 -0.24 -0.08 0.93 -1.32 0.00 0.00 178.16 177.41 2aet h GLU 330 N -0.04 0.00 0.19 1.82 5.08 -0.81 0.88 114.58 121.69 2aet h GLU 330 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2aet h GLU 330 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2aet h GLU 330 CO -0.50 0.08 -0.09 1.96 -1.00 0.00 0.00 179.01 179.46 2aet h GLN 331 N 0.00 -0.25 -0.58 2.33 4.20 0.03 -1.74 115.11 119.10 2aet h GLN 331 Ca -0.00 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2aet h GLN 331 Cb 0.29 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2aet h GLN 331 CO 0.01 0.08 0.20 0.00 -0.67 0.00 0.00 178.83 178.45 2aet h ALA 332 N 0.11 0.75 -0.39 3.87 0.00 -0.95 -2.95 119.26 119.71 2aet h ALA 332 Ca -0.03 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2aet h ALA 332 Cb 0.44 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2aet h ALA 332 CO 0.04 0.40 0.03 0.00 0.00 0.00 0.00 179.25 179.72 2aet h ALA 333 N 1.06 0.39 -0.86 0.00 0.00 -0.81 1.33 119.26 120.37 2aet h ALA 333 Ca 0.19 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.30 2aet h ALA 333 Cb 0.25 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2aet h ALA 333 CO -0.01 -0.36 0.56 -0.97 0.00 0.00 0.00 179.25 178.46 2aet h ASN 334 N 0.15 0.74 0.00 0.00 -1.24 -1.13 -0.39 115.58 113.71 2aet h ASN 334 Ca 0.19 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.09 2aet h ASN 334 Cb 0.25 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2aet h ASN 334 CO -0.29 0.44 -2.00 0.52 -1.29 0.00 0.00 177.43 174.81 2aet n VAL 335 N -4.52 0.49 -0.02 2.57 0.31 -0.86 -4.72 118.33 111.58 2aet n VAL 335 Ca 0.15 -0.56 0.06 0.00 -0.01 0.00 0.00 64.34 63.98 2aet n VAL 335 Cb 0.32 -0.18 -0.13 0.00 -0.91 0.00 0.00 33.84 32.94 2aet n VAL 335 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aet n GLY 336 N 1.63 -0.78 3.58 2.92 0.00 0.45 -4.74 105.19 108.25 2aet n GLY 336 Ca -0.14 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2aet n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aet s ALA 337 N -3.06 2.51 -0.10 4.61 0.00 -0.17 -4.93 121.76 120.62 2aet s ALA 337 Ca -0.07 -2.50 -0.01 0.00 0.00 0.00 0.00 51.96 49.38 2aet s ALA 337 Cb 0.10 -4.66 -0.03 0.00 0.00 0.00 0.00 23.12 18.53 2aet s ALA 337 CO 0.70 -4.31 -0.04 0.08 0.00 0.00 0.00 175.76 172.20 2aet s VAL 338 N 7.78 3.95 0.17 0.00 1.01 -1.26 -5.00 120.40 127.05 2aet s VAL 338 Ca 0.61 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2aet s VAL 338 Cb 0.01 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 2aet s VAL 338 CO 0.10 0.57 1.31 -0.55 0.00 0.00 0.00 175.10 176.52 2aet s SER 339 N -0.44 6.92 0.64 3.32 0.15 -1.26 -4.89 113.70 118.13 2aet s SER 339 Ca 0.07 2.33 0.38 0.00 0.70 0.00 0.00 55.95 59.44 2aet s SER 339 Cb -0.12 -2.60 2.17 0.00 -1.71 0.00 0.00 66.02 63.76 2aet s SER 339 CO 0.02 -0.53 2.32 -0.65 1.20 0.00 0.00 173.24 175.59 2aet h PRO 340 N 5.79 0.00 0.00 5.44 0.11 -1.98 -0.71 132.00 140.65 2aet h PRO 340 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2aet h PRO 340 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2aet h PRO 340 CO 0.79 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 179.24 2aet h SER 341 N 0.00 0.00 1.06 -2.05 4.64 -1.90 -0.08 113.55 115.22 2aet h SER 341 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aet h SER 341 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2aet h SER 341 CO -0.00 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.29 2aet n GLU 342 N -3.09 0.06 0.02 4.77 1.02 -0.27 -4.70 120.64 118.46 2aet n GLU 342 Ca -0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2aet n GLU 342 Cb 0.17 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2aet n GLU 342 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2aet n TRP 343 N -1.67 -1.04 -1.82 -0.32 4.27 -0.86 -4.88 117.44 111.13 2aet n TRP 343 Ca 0.06 0.10 -0.34 0.00 -3.89 0.00 0.00 57.50 53.43 2aet n TRP 343 Cb 0.36 0.64 -0.05 0.00 -1.36 0.00 0.00 31.31 30.90 2aet n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aet n ALA 344 N -2.62 2.47 -3.46 -1.67 0.00 -0.10 -4.59 120.51 110.55 2aet n ALA 344 Ca 0.00 -3.19 -0.17 0.00 0.00 0.00 0.00 53.44 50.09 2aet n ALA 344 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 19.45 15.84 2aet n ALA 344 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2aet s TYR 345 N 8.54 -0.56 0.92 0.00 -0.85 -1.26 -4.69 117.35 119.44 2aet s TYR 345 Ca 0.64 1.00 -0.14 0.00 -0.52 0.00 0.00 57.07 58.04 2aet s TYR 345 Cb 0.05 0.32 0.18 0.00 0.38 0.00 0.00 41.96 42.89 2aet s TYR 345 CO 0.12 -0.53 1.27 -1.25 -1.52 0.00 0.00 175.55 173.64 2aet s PRO 346 N -1.06 0.92 0.50 -3.49 0.04 -1.26 -4.87 135.00 125.78 2aet s PRO 346 Ca -0.10 -0.42 -0.22 0.00 0.04 0.00 0.00 61.00 60.29 2aet s PRO 346 Cb -0.02 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2aet s PRO 346 CO 0.08 -2.20 1.22 -1.25 0.04 0.00 0.00 177.00 174.89 2aet s PRO 347 N -5.77 3.48 0.27 0.56 0.04 -1.26 -4.89 135.00 127.42 2aet s PRO 347 Ca 0.72 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 2aet s PRO 347 Cb -0.05 -2.29 0.54 0.00 0.04 0.00 0.00 34.50 32.73 2aet s PRO 347 CO 0.51 -0.82 1.78 0.28 0.04 0.00 0.00 177.00 178.79 2aet h VAL 348 N 1.61 0.77 -0.79 -0.36 2.07 -1.96 -1.38 116.25 116.22 2aet h VAL 348 Ca -0.50 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 66.89 2aet h VAL 348 Cb 1.27 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2aet h VAL 348 CO 0.59 0.13 0.42 0.00 0.02 0.00 0.00 177.57 178.72 2aet h ALA 349 N 1.55 1.13 -0.35 1.67 0.00 -1.91 -0.10 119.26 121.24 2aet h ALA 349 Ca 0.47 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 2aet h ALA 349 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2aet h ALA 349 CO -0.34 -0.01 -0.23 0.37 0.00 0.00 0.00 179.25 179.04 2aet h GLN 350 N 0.67 0.69 -0.47 0.00 4.15 -1.62 -0.97 115.11 117.57 2aet h GLN 350 Ca 0.40 -0.28 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 2aet h GLN 350 Cb 0.44 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2aet h GLN 350 CO -0.29 0.86 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.25 2aet h LEU 351 N 0.60 0.90 -0.93 -2.39 3.38 -0.98 -2.48 115.31 113.42 2aet h LEU 351 Ca 0.08 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2aet h LEU 351 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2aet h LEU 351 CO 0.06 1.05 -0.51 0.00 0.09 0.00 0.00 178.44 179.13 2aet h ALA 352 N 1.02 1.11 0.03 1.53 0.00 -0.69 -3.11 119.26 119.15 2aet h ALA 352 Ca 0.12 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 2aet h ALA 352 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2aet h ALA 352 CO 0.05 0.64 -0.96 -0.97 0.00 0.00 0.00 179.25 178.01 2aet h ASN 353 N 0.05 0.27 0.00 0.00 -0.00 -1.04 -3.48 115.58 111.38 2aet h ASN 353 Ca -0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 56.30 56.06 2aet h ASN 353 Cb 0.92 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.15 2aet h ASN 353 CO 0.07 1.08 0.00 0.52 -0.00 0.00 0.00 177.43 179.10