#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam h GLU 2 N 0.00 -0.48 -4.83 0.03 4.39 -1.98 -3.25 114.58 108.46 2qam h GLU 2 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2qam h GLU 2 Cb 0.00 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2qam h GLU 2 CO 0.00 -0.20 -0.01 -2.37 -1.16 0.00 0.00 179.01 175.27 2qam n THR 3 N -5.12 -0.80 -4.33 1.13 5.66 -1.26 -4.16 114.28 105.41 2qam n THR 3 Ca -0.08 0.01 -0.25 0.00 -3.05 0.00 0.00 64.05 60.68 2qam n THR 3 Cb 0.25 -1.96 -0.09 0.00 -1.55 0.00 0.00 70.33 66.98 2qam n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qam s ILE 4 N -0.01 3.11 -0.14 1.09 -5.25 -1.26 -3.70 121.20 115.03 2qam s ILE 4 Ca 0.00 -1.90 -0.14 0.00 -0.99 0.00 0.00 60.65 57.62 2qam s ILE 4 Cb 0.00 -2.59 0.04 0.00 2.95 0.00 0.00 42.46 42.85 2qam s ILE 4 CO 0.00 -0.25 0.40 0.00 -1.79 0.00 0.00 174.94 173.30 2qam s ALA 5 N -2.05 -1.00 0.20 2.27 0.00 -0.92 -5.00 121.76 115.27 2qam s ALA 5 Ca 0.28 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 2qam s ALA 5 Cb -0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2qam s ALA 5 CO 0.16 -0.20 0.27 -1.59 0.00 0.00 0.00 175.76 174.40 2qam s LYS 6 N 0.12 1.28 -0.17 0.00 -2.85 -1.26 -1.33 119.74 115.53 2qam s LYS 6 Ca -0.01 -1.41 0.01 0.00 -1.00 0.00 0.00 55.97 53.56 2qam s LYS 6 Cb -0.03 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2qam s LYS 6 CO 0.01 -0.47 -0.14 -1.58 0.10 0.00 0.00 175.35 173.27 2qam s HIS 7 N -4.07 2.34 0.06 1.78 5.65 0.71 -4.99 115.29 116.76 2qam s HIS 7 Ca 0.28 -1.41 -0.00 0.00 0.25 0.00 0.00 55.06 54.19 2qam s HIS 7 Cb 0.04 -1.65 -0.04 0.00 -1.18 0.00 0.00 32.58 29.74 2qam s HIS 7 CO 0.08 -0.71 0.21 1.03 -0.65 0.00 0.00 174.74 174.70 2qam s ARG 8 N 1.43 3.44 -1.36 2.88 0.52 -1.26 -1.33 118.95 123.27 2qam s ARG 8 Ca 0.03 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 2qam s ARG 8 Cb -0.14 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.31 2qam s ARG 8 CO -0.10 0.61 1.14 0.72 0.02 0.00 0.00 175.30 177.68 2qam n HIS 9 N 0.29 -2.73 -1.86 -0.53 8.25 -0.68 -4.91 115.22 113.06 2qam n HIS 9 Ca -0.05 0.99 -0.42 0.00 -0.26 0.00 0.00 57.72 57.98 2qam n HIS 9 Cb 0.51 -4.91 -0.03 0.00 1.12 0.00 0.00 29.99 26.68 2qam n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qam s ALA 10 N -3.33 3.74 -1.32 -1.41 0.00 0.01 -4.75 121.76 114.69 2qam s ALA 10 Ca 0.52 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 2qam s ALA 10 Cb -0.24 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 2qam s ALA 10 CO 0.74 -1.07 2.43 0.54 0.00 0.00 0.00 175.76 178.40 2qam n ARG 11 N 5.26 2.83 0.00 0.00 5.12 -1.26 -2.54 116.66 126.07 2qam n ARG 11 Ca 0.16 -2.13 0.00 0.00 -1.93 0.00 0.00 57.85 53.95 2qam n ARG 11 Cb 0.39 -2.90 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 2qam n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qam n SER 12 N 5.03 0.00 0.00 0.55 2.88 -1.26 -5.08 113.62 115.73 2qam n SER 12 Ca 0.60 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2qam n SER 12 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2qam n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qam n SER 13 N -1.39 0.00 0.00 -3.46 3.41 -1.25 -4.86 113.62 106.07 2qam n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qam n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qam n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qam n ALA 14 N 0.00 0.00 0.27 7.33 0.00 -1.26 -2.48 120.51 124.37 2qam n ALA 14 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2qam n ALA 14 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.28 2qam n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2qam h GLN 15 N 0.00 0.00 0.00 0.00 -0.00 -1.97 0.81 115.11 113.95 2qam h GLN 15 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.41 2qam h GLN 15 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 2qam h GLN 15 CO 0.00 0.00 -1.23 0.87 -0.00 0.00 0.00 178.83 178.47 2qam h LYS 16 N 0.00 0.00 0.07 0.06 1.57 -1.97 -3.26 116.57 113.05 2qam h LYS 16 Ca 0.00 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2qam h LYS 16 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2qam h LYS 16 CO 0.00 0.84 -0.66 0.28 -0.57 0.00 0.00 179.45 179.34 2qam h VAL 17 N 0.00 1.47 0.00 0.50 2.07 0.05 -3.23 116.25 117.12 2qam h VAL 17 Ca -0.10 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.01 2qam h VAL 17 Cb 1.85 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 34.71 2qam h VAL 17 CO 0.11 0.63 0.00 -2.11 0.02 0.00 0.00 177.57 176.23 2qam n ARG 18 N -4.30 0.76 -0.01 1.57 1.85 0.11 -1.38 116.66 115.27 2qam n ARG 18 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2qam n ARG 18 Cb 0.70 -1.15 -0.02 0.00 -1.05 0.00 0.00 32.46 30.94 2qam n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qam n LEU 19 N 0.56 0.00 -0.00 2.89 7.94 -1.22 -4.53 117.00 122.63 2qam n LEU 19 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2qam n LEU 19 Cb 0.36 0.03 -0.10 0.00 0.53 0.00 0.00 43.42 44.24 2qam n LEU 19 CO 0.00 0.03 -0.50 0.55 -1.11 0.00 0.00 177.39 176.36 2qam n VAL 20 N -1.88 0.00 0.03 1.96 3.14 -0.48 -4.43 118.33 116.67 2qam n VAL 20 Ca -0.02 -0.28 -0.11 0.00 -2.96 0.00 0.00 64.34 60.96 2qam n VAL 20 Cb 0.36 0.39 0.01 0.00 -1.06 0.00 0.00 33.84 33.55 2qam n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qam h ALA 21 N 1.47 0.55 -0.38 1.55 0.00 -1.63 -3.05 119.26 117.76 2qam h ALA 21 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2qam h ALA 21 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2qam h ALA 21 CO 0.00 0.74 0.26 -0.44 0.00 0.00 0.00 179.25 179.81 2qam h ASP 22 N 0.34 0.23 -0.77 0.00 5.19 -1.80 -1.45 116.42 118.16 2qam h ASP 22 Ca -0.03 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2qam h ASP 22 Cb 1.30 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.71 2qam h ASP 22 CO 0.13 0.15 0.49 -0.07 -3.12 0.00 0.00 179.24 176.82 2qam h LEU 23 N 0.26 0.80 0.00 1.55 3.38 -1.78 -3.31 115.31 116.21 2qam h LEU 23 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qam h LEU 23 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qam h LEU 23 CO -0.03 0.54 0.00 -0.38 0.09 0.00 0.00 178.44 178.66 2qam n ILE 24 N -4.62 0.00 -0.70 1.22 5.41 -0.60 -4.86 119.36 115.21 2qam n ILE 24 Ca 0.09 0.44 0.00 0.00 1.00 0.00 0.00 62.75 64.28 2qam n ILE 24 Cb 0.10 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 2qam n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qam n ARG 25 N -1.21 0.00 0.00 0.38 0.63 -0.89 -2.02 116.66 113.54 2qam n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qam n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qam n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qam n GLY 26 N 0.23 2.39 2.73 5.14 0.00 0.21 -4.98 105.19 110.91 2qam n GLY 26 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2qam n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 27 N 0.00 0.00 0.00 1.61 4.01 -0.86 -3.64 118.16 119.29 2qam n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2qam n LYS 27 Cb 0.00 -0.84 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 2qam n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2qam n LYS 28 N 4.19 0.00 0.00 1.97 4.76 -1.26 -3.30 118.16 124.52 2qam n LYS 28 Ca 0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2qam n LYS 28 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 2qam n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qam n VAL 29 N 0.00 0.00 0.32 -0.18 0.31 -1.24 -0.74 118.33 116.79 2qam n VAL 29 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2qam n VAL 29 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2qam n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qam h SER 30 N 0.00 -0.70 0.63 4.52 0.02 -1.83 -2.81 113.55 113.38 2qam h SER 30 Ca 0.00 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2qam h SER 30 Cb 0.00 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2qam h SER 30 CO 0.00 -0.45 -0.53 1.56 -1.14 0.00 0.00 176.83 176.27 2qam h GLN 31 N -0.93 0.00 -0.26 3.45 1.08 -1.93 -2.63 115.11 113.90 2qam h GLN 31 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2qam h GLN 31 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2qam h GLN 31 CO 0.14 0.53 0.00 0.00 -0.95 0.00 0.00 178.83 178.55 2qam n ALA 32 N -2.40 1.75 0.00 3.87 0.00 -1.16 -0.71 120.51 121.87 2qam n ALA 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qam n ALA 32 Cb 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2qam n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qam n LEU 33 N -0.03 0.00 0.07 0.00 4.77 -1.00 -4.65 117.00 116.16 2qam n LEU 33 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 2qam n LEU 33 Cb 0.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2qam n LEU 33 CO 0.00 0.00 0.11 0.44 -1.33 0.00 0.00 177.39 176.61 2qam h ASP 34 N 0.00 0.64 -0.29 -1.43 3.45 -0.84 -2.22 116.42 115.73 2qam h ASP 34 Ca 0.00 -0.53 0.01 0.00 0.43 0.00 0.00 57.03 56.94 2qam h ASP 34 Cb 0.49 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 2qam h ASP 34 CO 0.00 1.34 0.16 0.40 -1.57 0.00 0.00 179.24 179.58 2qam h ILE 35 N 0.25 1.03 0.41 0.35 1.08 -1.41 -0.71 117.51 118.51 2qam h ILE 35 Ca -0.11 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2qam h ILE 35 Cb 1.68 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 2qam h ILE 35 CO 0.18 0.06 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.44 2qam h LEU 36 N 0.34 -0.47 -1.72 1.44 -0.00 -1.80 -1.99 115.31 111.11 2qam h LEU 36 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2qam h LEU 36 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2qam h LEU 36 CO -0.06 -0.27 0.09 0.71 -0.00 0.00 0.00 178.44 178.92 2qam h THR 37 N -0.64 0.00 -1.88 0.22 1.35 -1.24 -2.48 112.91 108.24 2qam h THR 37 Ca -0.06 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.25 2qam h THR 37 Cb 0.47 0.57 -0.42 0.00 -1.73 0.00 0.00 68.15 67.05 2qam h THR 37 CO 0.09 0.00 -0.81 -1.22 -0.25 0.00 0.00 175.52 173.34 2qam n TYR 38 N -2.46 3.00 -3.13 4.73 4.02 -0.29 -4.89 117.16 118.16 2qam n TYR 38 Ca -0.02 -3.58 -0.03 0.00 -0.01 0.00 0.00 57.90 54.26 2qam n TYR 38 Cb 0.13 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.09 2qam n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qam s THR 39 N -4.37 -0.89 -0.90 -0.72 -4.23 -0.94 -4.85 115.64 98.74 2qam s THR 39 Ca 0.45 -0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.28 2qam s THR 39 Cb 0.35 -0.11 -0.15 0.00 1.34 0.00 0.00 72.50 73.92 2qam s THR 39 CO -0.13 -0.10 2.26 0.20 -0.54 0.00 0.00 174.62 176.31 2qam s ASN 40 N 1.52 3.91 -0.30 3.99 -0.87 -1.26 -4.75 114.94 117.18 2qam s ASN 40 Ca 0.20 -0.39 -0.07 0.00 -1.57 0.00 0.00 52.86 51.03 2qam s ASN 40 Cb -0.04 -2.57 0.16 0.00 -0.02 0.00 0.00 41.25 38.79 2qam s ASN 40 CO -0.06 -4.01 0.70 -0.54 -2.57 0.00 0.00 177.10 170.61 2qam s LYS 41 N 8.49 0.51 0.09 -0.60 1.02 -1.26 -5.06 119.74 122.93 2qam s LYS 41 Ca 0.86 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.87 2qam s LYS 41 Cb -0.09 0.64 0.09 0.00 -0.52 0.00 0.00 37.83 37.94 2qam s LYS 41 CO 0.10 -0.37 0.61 1.17 -0.92 0.00 0.00 175.35 175.94 2qam n LYS 42 N 5.39 -0.10 -0.44 1.68 4.81 -1.26 0.19 118.16 128.43 2qam n LYS 42 Ca -0.07 0.61 0.38 0.00 -0.87 0.00 0.00 58.31 58.36 2qam n LYS 42 Cb 0.51 -0.90 0.71 0.00 0.02 0.00 0.00 35.03 35.36 2qam n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qam h ALA 43 N 0.52 3.07 -0.18 3.14 0.00 -1.95 -2.31 119.26 121.54 2qam h ALA 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qam h ALA 43 Cb 0.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qam h ALA 43 CO -0.39 -1.53 0.00 0.00 0.00 0.00 0.00 179.25 177.33 2qam n ALA 44 N -2.70 -0.42 0.27 0.00 0.00 0.49 -1.46 120.51 116.69 2qam n ALA 44 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.89 2qam n ALA 44 Cb 1.40 0.05 0.56 0.00 0.00 0.00 0.00 19.45 21.46 2qam n ALA 44 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qam h VAL 45 N 0.00 0.04 0.06 0.00 -1.51 -1.56 1.47 116.25 114.75 2qam h VAL 45 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2qam h VAL 45 Cb 0.00 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 2qam h VAL 45 CO 0.00 0.00 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.24 2qam h LEU 46 N 0.00 -0.07 0.03 4.19 3.38 -1.23 -2.63 115.31 118.98 2qam h LEU 46 Ca 0.05 -0.57 -0.27 0.00 0.09 0.00 0.00 57.88 57.18 2qam h LEU 46 Cb 1.22 0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.01 2qam h LEU 46 CO -0.00 0.61 -1.14 -0.37 0.09 0.00 0.00 178.44 177.63 2qam h VAL 47 N -0.81 1.33 -0.89 1.22 -1.51 0.50 -2.93 116.25 113.16 2qam h VAL 47 Ca -0.01 -2.47 0.24 0.00 -1.23 0.00 0.00 66.70 63.23 2qam h VAL 47 Cb 0.63 2.59 -0.05 0.00 -2.13 0.00 0.00 31.29 32.34 2qam h VAL 47 CO 0.01 0.75 0.62 0.50 -1.23 0.00 0.00 177.57 178.22 2qam h LYS 48 N 0.27 0.12 0.06 5.19 1.63 0.18 0.38 116.57 124.40 2qam h LYS 48 Ca -0.15 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.48 2qam h LYS 48 Cb 1.80 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 33.42 2qam h LYS 48 CO 0.21 0.08 -0.69 -0.22 -3.45 0.00 0.00 179.45 175.38 2qam h LYS 49 N 0.13 0.37 0.05 1.90 3.64 -1.36 -2.96 116.57 118.34 2qam h LYS 49 Ca 0.44 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qam h LYS 49 Cb 1.52 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2qam h LYS 49 CO -0.07 1.16 -0.03 0.28 -2.27 0.00 0.00 179.45 178.53 2qam h VAL 50 N -0.20 0.95 -0.03 2.00 2.07 -0.54 -2.77 116.25 117.72 2qam h VAL 50 Ca -0.10 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2qam h VAL 50 Cb 1.45 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2qam h VAL 50 CO 0.13 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 177.80 2qam h LEU 51 N -0.07 -0.56 -3.76 2.57 5.85 -0.50 0.82 115.31 119.65 2qam h LEU 51 Ca -0.01 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2qam h LEU 51 Cb 0.06 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2qam h LEU 51 CO 0.01 -0.16 -0.08 -1.84 -0.34 0.00 0.00 178.44 176.03 2qam n GLU 52 N -3.49 1.10 0.00 1.25 0.28 -1.12 0.62 120.64 119.28 2qam n GLU 52 Ca -0.02 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 2qam n GLU 52 Cb 0.13 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2qam n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2qam n SER 53 N 2.13 0.00 -0.00 -1.84 2.88 0.10 -4.72 113.62 112.16 2qam n SER 53 Ca 0.16 -0.75 -0.01 0.00 -1.33 0.00 0.00 58.87 56.94 2qam n SER 53 Cb 0.52 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2qam n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qam n ALA 54 N 0.00 2.23 0.02 -1.46 0.00 0.20 -3.95 120.51 117.56 2qam n ALA 54 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2qam n ALA 54 Cb 0.19 0.48 0.41 0.00 0.00 0.00 0.00 19.45 20.53 2qam n ALA 54 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2qam h ILE 55 N -0.01 1.13 0.00 0.00 6.09 -0.80 0.49 117.51 124.40 2qam h ILE 55 Ca -0.02 -0.36 -0.05 0.00 -1.37 0.00 0.00 64.86 63.06 2qam h ILE 55 Cb 1.03 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 2qam h ILE 55 CO -0.01 0.14 -0.46 0.00 -3.07 0.00 0.00 178.15 174.75 2qam h ALA 56 N 1.70 0.78 -0.01 0.18 0.00 -1.81 -3.16 119.26 116.94 2qam h ALA 56 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2qam h ALA 56 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qam h ALA 56 CO -0.02 0.29 -0.77 -0.97 0.00 0.00 0.00 179.25 177.78 2qam h ASN 57 N 0.00 0.11 0.00 0.00 -0.00 -0.68 -2.40 115.58 112.61 2qam h ASN 57 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.20 2qam h ASN 57 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 2qam h ASN 57 CO 0.03 0.84 0.00 0.00 -0.00 0.00 0.00 177.43 178.29 2qam n ALA 58 N -2.42 2.51 -1.15 1.57 0.00 0.14 -3.39 120.51 117.76 2qam n ALA 58 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qam n ALA 58 Cb 0.74 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2qam n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qam n GLU 59 N -0.79 0.00 -0.69 0.00 -0.58 -0.92 -2.62 120.64 115.04 2qam n GLU 59 Ca 0.13 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 2qam n GLU 59 Cb 0.06 -0.01 -0.10 0.00 -0.57 0.00 0.00 31.44 30.82 2qam n GLU 59 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2qam n HIS 60 N -1.25 0.22 0.00 -0.32 -0.00 -1.12 -4.60 115.22 108.15 2qam n HIS 60 Ca 0.00 -1.16 0.00 0.00 0.46 0.00 0.00 57.72 57.02 2qam n HIS 60 Cb 0.00 -1.28 0.00 0.00 -0.12 0.00 0.00 29.99 28.59 2qam n HIS 60 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2qam n ASN 61 N 2.86 0.00 -4.43 0.26 5.03 -1.22 -4.98 115.26 112.79 2qam n ASN 61 Ca 0.32 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 55.29 2qam n ASN 61 Cb 0.54 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.28 2qam n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qam n ASP 62 N 0.00 -0.92 0.00 6.41 8.00 -1.25 -4.61 116.55 124.18 2qam n ASP 62 Ca 0.00 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.63 2qam n ASP 62 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 2qam n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qam n GLY 63 N 1.89 0.80 3.79 0.44 0.00 -1.26 -3.95 105.19 106.90 2qam n GLY 63 Ca 0.17 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 2qam n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qam s ALA 64 N -1.29 -1.53 0.58 4.61 0.00 -1.08 -4.62 121.76 118.43 2qam s ALA 64 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2qam s ALA 64 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2qam s ALA 64 CO 0.00 -1.04 0.00 -3.47 0.00 0.00 0.00 175.76 171.25 2qam n ASP 65 N -0.54 -7.69 0.00 0.00 2.03 -1.26 -4.92 116.55 104.16 2qam n ASP 65 Ca -0.05 1.34 0.00 0.00 0.52 0.00 0.00 54.79 56.59 2qam n ASP 65 Cb 0.60 -4.74 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 2qam n ASP 65 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2qam n ILE 66 N -4.26 0.00 0.17 5.18 -0.00 -1.26 -4.72 119.36 114.47 2qam n ILE 66 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.72 2qam n ILE 66 Cb 0.66 -0.64 0.30 0.00 -0.00 0.00 0.00 39.64 39.96 2qam n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qam h ASP 67 N 0.00 0.00 -0.02 7.28 3.32 -1.99 0.45 116.42 125.46 2qam h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qam h ASP 67 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2qam h ASP 67 CO 0.00 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.62 2qam n ASP 68 N -2.02 1.43 -4.75 6.45 5.75 -1.26 -5.03 116.55 117.12 2qam n ASP 68 Ca -0.01 -1.32 -0.40 0.00 -0.01 0.00 0.00 54.79 53.05 2qam n ASP 68 Cb 0.40 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 2qam n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qam s LEU 69 N -0.39 4.49 -0.01 -2.12 1.02 0.16 -4.62 118.68 117.21 2qam s LEU 69 Ca 0.03 1.52 0.04 0.00 0.02 0.00 0.00 54.13 55.74 2qam s LEU 69 Cb 0.02 -3.27 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 2qam s LEU 69 CO 0.03 0.06 -0.13 -1.59 0.02 0.00 0.00 176.35 174.74 2qam s LYS 70 N -0.33 1.06 -1.05 1.70 -2.85 0.18 -3.71 119.74 114.75 2qam s LYS 70 Ca 0.38 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 54.63 2qam s LYS 70 Cb -0.21 -1.03 -0.05 0.00 -2.06 0.00 0.00 37.83 34.47 2qam s LYS 70 CO 0.24 0.28 1.90 0.54 0.10 0.00 0.00 175.35 178.41 2qam s VAL 71 N -0.34 3.55 0.24 1.79 0.11 0.08 0.99 120.40 126.82 2qam s VAL 71 Ca 0.05 -0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2qam s VAL 71 Cb -0.05 -4.37 0.20 0.00 -1.53 0.00 0.00 36.38 30.62 2qam s VAL 71 CO -0.00 -1.09 1.79 0.71 -3.33 0.00 0.00 175.10 173.18 2qam h THR 72 N 6.70 0.87 -4.01 5.04 1.35 -1.32 0.63 112.91 122.16 2qam h THR 72 Ca 0.17 -0.24 -0.15 0.00 -0.55 0.00 0.00 66.41 65.65 2qam h THR 72 Cb 0.97 0.12 -0.19 0.00 -1.73 0.00 0.00 68.15 67.33 2qam h THR 72 CO 1.24 0.13 -0.66 -0.54 -0.25 0.00 0.00 175.52 175.44 2qam s LYS 73 N -6.04 0.45 -0.10 4.72 -0.14 -0.89 -4.57 119.74 113.17 2qam s LYS 73 Ca -0.12 -0.81 -0.15 0.00 -1.36 0.00 0.00 55.97 53.53 2qam s LYS 73 Cb 0.19 0.16 0.03 0.00 -1.68 0.00 0.00 37.83 36.53 2qam s LYS 73 CO 0.77 -0.08 0.38 -1.50 -0.76 0.00 0.00 175.35 174.16 2qam s ILE 74 N -2.36 0.02 -0.30 2.17 1.10 -1.26 -1.05 121.20 119.52 2qam s ILE 74 Ca -0.07 -0.16 -0.28 0.00 -0.51 0.00 0.00 60.65 59.62 2qam s ILE 74 Cb -0.03 -0.60 0.20 0.00 0.15 0.00 0.00 42.46 42.17 2qam s ILE 74 CO -0.04 -0.09 1.41 0.72 -2.11 0.00 0.00 174.94 174.83 2qam s PHE 75 N -0.40 -0.01 0.05 3.50 -0.71 -0.87 -5.02 117.98 114.50 2qam s PHE 75 Ca -0.05 0.03 0.07 0.00 -1.04 0.00 0.00 56.93 55.93 2qam s PHE 75 Cb -0.03 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 2qam s PHE 75 CO 0.02 -0.01 -0.19 0.14 -1.34 0.00 0.00 175.22 173.84 2qam s VAL 76 N -0.74 1.54 0.20 -2.49 -7.23 -1.26 -0.66 120.40 109.76 2qam s VAL 76 Ca 0.09 -1.17 0.10 0.00 -1.81 0.00 0.00 61.98 59.19 2qam s VAL 76 Cb -0.02 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 2qam s VAL 76 CO -0.11 0.15 -0.19 -1.81 -0.31 0.00 0.00 175.10 172.83 2qam s ASP 77 N -1.20 2.97 0.18 4.85 1.11 -1.15 -4.88 116.67 118.55 2qam s ASP 77 Ca 0.06 -0.94 -0.32 0.00 0.18 0.00 0.00 52.55 51.54 2qam s ASP 77 Cb -0.09 -0.20 -0.11 0.00 1.07 0.00 0.00 42.92 43.59 2qam s ASP 77 CO 0.02 -0.03 1.72 -1.61 1.18 0.00 0.00 175.17 176.45 2qam s GLU 78 N -3.14 4.14 0.36 8.23 2.02 -1.26 -0.77 118.70 128.28 2qam s GLU 78 Ca 0.21 2.56 0.08 0.00 0.02 0.00 0.00 54.97 57.84 2qam s GLU 78 Cb -0.05 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 2qam s GLU 78 CO 0.09 -0.75 0.28 0.20 0.02 0.00 0.00 175.26 175.10 2qam s GLY 79 N 1.59 1.91 -0.87 -1.39 0.00 0.06 -4.80 107.32 103.82 2qam s GLY 79 Ca 0.76 -1.75 -0.19 0.00 0.00 0.00 0.00 44.72 43.53 2qam s GLY 79 CO 0.33 -1.65 2.33 -1.05 0.00 0.00 0.00 173.10 173.06 2qam n PRO 80 N -1.37 0.33 -2.01 2.90 -0.02 -1.26 -3.93 135.00 129.64 2qam n PRO 80 Ca -0.01 -0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 2qam n PRO 80 Cb 0.61 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2qam n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qam s SER 81 N 6.39 6.66 0.20 2.55 1.04 -1.26 -4.45 113.70 124.83 2qam s SER 81 Ca 1.12 2.52 -0.30 0.00 0.48 0.00 0.00 55.95 59.77 2qam s SER 81 Cb -0.50 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 62.94 2qam s SER 81 CO 0.32 -0.77 1.21 -0.04 0.98 0.00 0.00 173.24 174.94 2qam s MET 82 N 1.14 4.48 0.17 4.02 -1.94 0.17 -4.79 119.30 122.55 2qam s MET 82 Ca 0.68 1.90 -0.14 0.00 -1.71 0.00 0.00 55.69 56.43 2qam s MET 82 Cb -0.41 -3.23 -0.07 0.00 2.01 0.00 0.00 34.83 33.13 2qam s MET 82 CO 0.31 -0.09 0.56 0.15 -0.01 0.00 0.00 175.02 175.94 2qam s LYS 83 N -0.35 3.95 0.00 2.03 -0.14 -1.26 0.34 119.74 124.30 2qam s LYS 83 Ca 0.53 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.60 2qam s LYS 83 Cb -0.33 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 2qam s LYS 83 CO 0.38 0.44 0.00 -2.13 -0.76 0.00 0.00 175.35 173.28 2qam n ARG 84 N 0.60 0.00 -3.79 1.68 3.00 -1.02 -4.91 116.66 112.23 2qam n ARG 84 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.68 2qam n ARG 84 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.86 2qam n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qam s ILE 85 N -2.49 -0.01 -0.22 5.15 1.01 -1.25 -4.46 121.20 118.95 2qam s ILE 85 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2qam s ILE 85 Cb 0.00 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.21 2qam s ILE 85 CO 0.00 0.01 -0.08 -0.04 0.00 0.00 0.00 174.94 174.83 2qam s MET 86 N 0.33 1.86 0.15 2.79 -1.94 -0.07 -4.91 119.30 117.51 2qam s MET 86 Ca -0.02 -0.93 -0.31 0.00 -1.71 0.00 0.00 55.69 52.72 2qam s MET 86 Cb -0.03 -2.51 -0.11 0.00 2.01 0.00 0.00 34.83 34.19 2qam s MET 86 CO -0.01 -0.51 1.80 -2.14 -0.01 0.00 0.00 175.02 174.15 2qam s PRO 87 N 1.38 4.13 0.38 2.03 0.02 -1.26 -0.92 135.00 140.76 2qam s PRO 87 Ca -0.04 2.60 0.08 0.00 0.02 0.00 0.00 61.00 63.66 2qam s PRO 87 Cb -0.18 -3.45 -0.06 0.00 0.02 0.00 0.00 34.50 30.83 2qam s PRO 87 CO -0.07 -0.82 0.04 1.03 -0.33 0.00 0.00 177.00 176.85 2qam s ARG 88 N 2.31 2.03 0.59 5.54 3.00 0.28 -4.94 118.95 127.76 2qam s ARG 88 Ca 0.79 -1.93 -0.20 0.00 0.00 0.00 0.00 55.73 54.39 2qam s ARG 88 Cb -0.47 -1.80 -0.03 0.00 0.00 0.00 0.00 34.95 32.64 2qam s ARG 88 CO 0.35 0.01 1.33 0.00 0.00 0.00 0.00 175.30 176.99 2qam s ALA 89 N -2.62 2.64 -1.50 2.13 0.00 -1.26 -2.76 121.76 118.38 2qam s ALA 89 Ca 0.36 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2qam s ALA 89 Cb 0.05 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2qam s ALA 89 CO 0.19 -1.47 0.00 1.63 0.00 0.00 0.00 175.76 176.11 2qam n LYS 90 N -1.40 -1.00 0.00 0.00 5.02 -1.26 -3.10 118.16 116.42 2qam n LYS 90 Ca 0.13 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 2qam n LYS 90 Cb 0.46 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 2qam n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qam n GLY 91 N -1.21 3.24 3.61 0.72 0.00 -1.11 -5.04 105.19 105.39 2qam n GLY 91 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2qam n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam n ARG 92 N -1.71 0.75 -4.34 1.61 1.74 -1.18 -4.67 116.66 108.86 2qam n ARG 92 Ca 0.00 0.30 -0.22 0.00 -0.77 0.00 0.00 57.85 57.16 2qam n ARG 92 Cb 0.00 -2.19 -0.11 0.00 -1.02 0.00 0.00 32.46 29.14 2qam n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qam s ALA 93 N -1.62 2.05 0.09 7.54 0.00 -1.26 0.10 121.76 128.66 2qam s ALA 93 Ca 0.76 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 51.30 2qam s ALA 93 Cb -0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2qam s ALA 93 CO 0.48 0.26 -0.21 -0.51 0.00 0.00 0.00 175.76 175.78 2qam s ASP 94 N -2.63 2.52 0.11 0.00 1.01 -0.10 -4.91 116.67 112.67 2qam s ASP 94 Ca 0.16 -0.65 -0.26 0.00 0.71 0.00 0.00 52.55 52.51 2qam s ASP 94 Cb -0.06 -0.15 -0.08 0.00 1.01 0.00 0.00 42.92 43.64 2qam s ASP 94 CO 0.07 0.08 1.66 -0.09 0.21 0.00 0.00 175.17 177.09 2qam h ARG 95 N 4.23 -0.36 -5.60 8.23 9.65 -1.89 -0.16 114.38 128.47 2qam h ARG 95 Ca -0.45 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2qam h ARG 95 Cb 1.18 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 2qam h ARG 95 CO 0.40 -0.24 -0.25 1.51 2.80 0.00 0.00 179.97 184.19 2qam n ILE 96 N -5.34 -2.88 -4.11 1.20 3.06 -1.26 -3.21 119.36 106.82 2qam n ILE 96 Ca -0.06 0.49 -0.35 0.00 -2.50 0.00 0.00 62.75 60.33 2qam n ILE 96 Cb 0.25 -3.01 -0.10 0.00 0.54 0.00 0.00 39.64 37.32 2qam n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qam s LEU 97 N -0.11 3.75 -0.97 9.51 1.02 -1.26 -2.42 118.68 128.20 2qam s LEU 97 Ca -0.04 0.10 -0.07 0.00 0.02 0.00 0.00 54.13 54.14 2qam s LEU 97 Cb 0.00 -1.92 0.24 0.00 0.02 0.00 0.00 46.19 44.53 2qam s LEU 97 CO 0.11 0.23 0.91 -0.54 0.02 0.00 0.00 176.35 177.08 2qam s LYS 98 N 0.02 3.71 0.60 1.70 1.02 0.15 -4.92 119.74 122.03 2qam s LYS 98 Ca 0.05 -3.07 -0.18 0.00 0.02 0.00 0.00 55.97 52.79 2qam s LYS 98 Cb -0.12 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 32.86 2qam s LYS 98 CO 0.01 -1.25 1.15 -0.98 -0.92 0.00 0.00 175.35 173.36 2qam s ARG 99 N -0.98 3.03 0.37 1.68 1.70 -1.26 0.41 118.95 123.90 2qam s ARG 99 Ca 0.27 1.61 0.04 0.00 -0.47 0.00 0.00 55.73 57.19 2qam s ARG 99 Cb -0.10 -1.96 -0.06 0.00 -0.57 0.00 0.00 34.95 32.26 2qam s ARG 99 CO -0.09 -1.11 0.05 0.95 -1.08 0.00 0.00 175.30 174.02 2qam s THR 100 N -1.89 1.32 0.22 4.99 -4.23 -1.25 -3.86 115.64 110.94 2qam s THR 100 Ca 0.72 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2qam s THR 100 Cb -0.25 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2qam s THR 100 CO 0.33 0.00 0.08 -0.94 -0.54 0.00 0.00 174.62 173.56 2qam s SER 101 N -3.58 0.89 -0.61 3.99 1.04 -1.04 -0.76 113.70 113.63 2qam s SER 101 Ca 0.33 -1.33 0.05 0.00 0.48 0.00 0.00 55.95 55.48 2qam s SER 101 Cb 0.08 0.21 0.20 0.00 0.10 0.00 0.00 66.02 66.61 2qam s SER 101 CO 0.15 -0.72 0.54 1.41 0.98 0.00 0.00 173.24 175.59 2qam n HIS 102 N -0.35 2.30 -1.84 5.02 8.25 0.05 -0.81 115.22 127.84 2qam n HIS 102 Ca -0.01 -4.03 -0.42 0.00 -0.26 0.00 0.00 57.72 53.00 2qam n HIS 102 Cb 0.65 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 2qam n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qam s ILE 103 N -1.44 2.25 -0.12 1.59 1.01 -0.44 -2.92 121.20 121.12 2qam s ILE 103 Ca 0.31 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 2qam s ILE 103 Cb 0.04 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.43 2qam s ILE 103 CO -0.13 0.03 0.04 -0.89 0.00 0.00 0.00 174.94 173.99 2qam s THR 104 N 0.23 0.25 -0.02 2.92 2.01 0.17 -0.21 115.64 121.00 2qam s THR 104 Ca 0.64 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2qam s THR 104 Cb -0.46 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2qam s THR 104 CO 0.44 -0.00 0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 2qam s VAL 105 N 2.00 4.44 -0.34 3.82 1.01 -0.44 -2.06 120.40 128.83 2qam s VAL 105 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2qam s VAL 105 Cb -0.14 -2.98 0.13 0.00 0.00 0.00 0.00 36.38 33.39 2qam s VAL 105 CO -0.07 0.40 0.19 -0.69 0.00 0.00 0.00 175.10 174.94 2qam s VAL 106 N -1.10 0.15 0.08 2.92 1.01 -0.22 -2.16 120.40 121.09 2qam s VAL 106 Ca 0.20 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 2qam s VAL 106 Cb -0.12 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 2qam s VAL 106 CO 0.10 -0.93 0.63 0.54 0.00 0.00 0.00 175.10 175.44 2qam s VAL 107 N 1.25 4.68 0.33 2.92 0.11 -1.24 -0.95 120.40 127.49 2qam s VAL 107 Ca 0.16 1.36 0.07 0.00 -2.93 0.00 0.00 61.98 60.64 2qam s VAL 107 Cb -0.22 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.63 2qam s VAL 107 CO -0.06 0.52 0.28 -0.55 -3.33 0.00 0.00 175.10 171.96 2qam s SER 108 N -0.92 1.63 0.00 3.54 0.15 0.28 -4.35 113.70 114.03 2qam s SER 108 Ca 0.31 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 55.22 2qam s SER 108 Cb -0.20 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2qam s SER 108 CO 0.21 -1.07 0.00 0.47 1.20 0.00 0.00 173.24 174.05 2qam n ASP 109 N -1.53 0.00 0.00 5.45 9.92 -1.23 0.52 116.55 129.68 2qam n ASP 109 Ca 0.07 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2qam n ASP 109 Cb 0.62 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2qam n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19