#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fb1 n GLU 56 N 0.00 0.00 -1.35 1.61 2.13 -1.26 -5.04 120.64 116.73 1fb1 n GLU 56 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1fb1 n GLU 56 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1fb1 n GLU 56 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1fb1 n ARG 57 N 11.57 0.00 -1.48 5.31 1.85 -1.26 -4.63 116.66 128.02 1fb1 n ARG 57 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.27 1fb1 n ARG 57 Cb 0.00 -0.34 -0.09 0.00 -1.05 0.00 0.00 32.46 30.97 1fb1 n ARG 57 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1fb1 n PRO 58 N 1.79 0.53 -2.56 2.89 -0.02 -1.26 -4.88 135.00 131.50 1fb1 n PRO 58 Ca 0.00 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1fb1 n PRO 58 Cb 0.00 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1fb1 n PRO 58 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1fb1 s ARG 59 N 5.04 3.53 0.91 -0.52 6.06 -1.26 -5.01 118.95 127.71 1fb1 s ARG 59 Ca 1.10 0.35 -0.11 0.00 -2.50 0.00 0.00 55.73 54.57 1fb1 s ARG 59 Cb -1.24 -4.01 0.20 0.00 0.06 0.00 0.00 34.95 29.96 1fb1 s ARG 59 CO 0.64 -1.65 1.24 -1.54 -2.50 0.00 0.00 175.30 171.49 1fb1 s SER 60 N 3.05 3.29 0.00 -2.12 1.04 -1.26 -4.36 113.70 113.33 1fb1 s SER 60 Ca 0.45 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1fb1 s SER 60 Cb -0.08 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1fb1 s SER 60 CO 0.27 -2.59 0.49 1.21 0.98 0.00 0.00 173.24 173.59 1fb1 n GLU 61 N -3.53 0.00 -0.06 4.02 2.13 -1.26 -2.06 120.64 119.87 1fb1 n GLU 61 Ca 0.17 0.11 -0.07 0.00 0.66 0.00 0.00 57.16 58.03 1fb1 n GLU 61 Cb 0.60 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 1fb1 n GLU 61 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fb1 h GLU 62 N 0.00 0.00 -0.64 5.31 4.81 -1.99 -2.36 114.58 119.71 1fb1 h GLU 62 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1fb1 h GLU 62 Cb 0.44 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 1fb1 h GLU 62 CO 0.00 0.46 0.22 -0.44 -0.73 0.00 0.00 179.01 178.52 1fb1 h ASP 63 N -1.00 0.18 -0.42 1.04 5.19 -1.76 -2.02 116.42 117.63 1fb1 h ASP 63 Ca -0.01 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1fb1 h ASP 63 Cb 0.48 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1fb1 h ASP 63 CO -0.01 0.10 0.26 0.78 -3.12 0.00 0.00 179.24 177.25 1fb1 h ASN 64 N 0.38 0.51 0.00 6.45 4.21 -1.68 -2.37 115.58 123.07 1fb1 h ASN 64 Ca 0.34 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1fb1 h ASN 64 Cb 0.46 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1fb1 h ASN 64 CO -0.35 0.41 0.05 1.21 -1.29 0.00 0.00 177.43 177.45 1fb1 n GLU 65 N -4.75 0.00 -0.04 0.81 2.13 -0.76 -1.68 120.64 116.35 1fb1 n GLU 65 Ca 0.01 0.34 -0.05 0.00 0.66 0.00 0.00 57.16 58.11 1fb1 n GLU 65 Cb 0.05 -1.55 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 1fb1 n GLU 65 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1fb1 n LEU 66 N -1.32 1.30 0.19 4.31 7.94 -0.94 -4.59 117.00 123.89 1fb1 n LEU 66 Ca 0.00 -0.02 0.13 0.00 -1.11 0.00 0.00 56.01 55.01 1fb1 n LEU 66 Cb 0.05 -0.04 0.39 0.00 0.53 0.00 0.00 43.42 44.35 1fb1 n LEU 66 CO 0.00 0.40 0.88 0.78 -1.11 0.00 0.00 177.39 178.34 1fb1 h ASN 67 N 0.00 0.00 0.24 1.96 2.35 -0.89 -3.31 115.58 115.92 1fb1 h ASN 67 Ca -0.22 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1fb1 h ASN 67 Cb 1.42 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.76 1fb1 h ASN 67 CO -0.01 0.00 -0.33 0.25 -1.65 0.00 0.00 177.43 175.69 1fb1 h LEU 68 N 0.00 -0.93 -0.74 1.61 5.85 -1.57 -0.36 115.31 119.17 1fb1 h LEU 68 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1fb1 h LEU 68 Cb 0.73 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1fb1 h LEU 68 CO 0.00 -0.45 0.00 -0.81 -0.34 0.00 0.00 178.44 176.84 1fb1 n PRO 69 N -5.44 0.07 -0.07 5.25 -0.04 -1.24 0.03 135.00 133.56 1fb1 n PRO 69 Ca -0.08 0.57 -0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1fb1 n PRO 69 Cb 0.34 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1fb1 n PRO 69 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1fb1 h ASN 70 N 0.00 0.00 -0.45 3.54 4.21 -1.31 -2.84 115.58 118.72 1fb1 h ASN 70 Ca 0.00 -0.44 0.09 0.00 1.21 0.00 0.00 56.30 57.16 1fb1 h ASN 70 Cb 0.00 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.13 1fb1 h ASN 70 CO 0.00 0.86 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.90 1fb1 h LEU 71 N -1.00 -0.25 -1.13 1.61 3.38 -0.18 0.56 115.31 118.30 1fb1 h LEU 71 Ca -0.05 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1fb1 h LEU 71 Cb 0.62 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 1fb1 h LEU 71 CO -0.03 -0.08 0.61 0.00 0.09 0.00 0.00 178.44 179.03 1fb1 h ALA 72 N 1.42 1.75 0.09 1.53 0.00 -0.52 0.25 119.26 123.78 1fb1 h ALA 72 Ca 0.23 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 1fb1 h ALA 72 Cb 0.34 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1fb1 h ALA 72 CO -0.40 -0.06 -1.18 0.00 0.00 0.00 0.00 179.25 177.61 1fb1 h ALA 73 N 1.61 0.06 -0.64 0.00 0.00 -0.66 -2.51 119.26 117.12 1fb1 h ALA 73 Ca 0.53 -0.76 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1fb1 h ALA 73 Cb 0.83 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1fb1 h ALA 73 CO -0.30 0.72 0.36 0.00 0.00 0.00 0.00 179.25 180.03 1fb1 h ALA 74 N 0.37 0.85 -0.24 0.00 0.00 0.22 -1.28 119.26 119.18 1fb1 h ALA 74 Ca -0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1fb1 h ALA 74 Cb 1.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1fb1 h ALA 74 CO 0.22 0.05 0.01 1.88 0.00 0.00 0.00 179.25 181.42 1fb1 h TYR 75 N 0.68 0.46 -0.90 0.00 -1.99 -0.66 -1.76 116.97 112.80 1fb1 h TYR 75 Ca 0.28 -0.08 0.24 0.00 2.00 0.00 0.00 58.73 61.17 1fb1 h TYR 75 Cb 0.14 -0.12 -0.14 0.00 2.00 0.00 0.00 36.73 38.61 1fb1 h TYR 75 CO -0.07 0.58 0.32 1.03 -0.00 0.00 0.00 178.16 180.02 1fb1 h SER 76 N 0.20 0.16 0.58 3.88 0.87 -0.89 0.77 113.55 119.11 1fb1 h SER 76 Ca 0.07 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1fb1 h SER 76 Cb 0.39 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1fb1 h SER 76 CO 0.01 -0.11 -0.48 -1.28 -0.53 0.00 0.00 176.83 174.44 1fb1 h SER 77 N 0.28 -1.29 -0.92 6.23 0.87 -0.52 -2.93 113.55 115.27 1fb1 h SER 77 Ca 0.58 0.10 0.16 0.00 -1.23 0.00 0.00 61.79 61.39 1fb1 h SER 77 Cb 1.17 0.41 -0.10 0.00 -0.44 0.00 0.00 62.40 63.44 1fb1 h SER 77 CO -0.61 -0.68 0.51 0.40 -0.53 0.00 0.00 176.83 175.93 1fb1 h ILE 78 N -1.04 0.75 -0.63 2.23 2.04 0.12 -1.18 117.51 119.79 1fb1 h ILE 78 Ca -0.07 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1fb1 h ILE 78 Cb 0.88 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1fb1 h ILE 78 CO -0.01 0.13 0.34 -0.07 0.00 0.00 0.00 178.15 178.54 1fb1 h LEU 79 N 0.71 0.50 -0.36 1.44 3.38 -0.49 0.32 115.31 120.82 1fb1 h LEU 79 Ca 0.50 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.32 1fb1 h LEU 79 Cb 0.71 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1fb1 h LEU 79 CO -0.36 0.33 -0.64 0.28 0.09 0.00 0.00 178.44 178.14 1fb1 h SER 80 N 0.64 0.76 0.44 -0.43 0.02 -1.31 -1.53 113.55 112.14 1fb1 h SER 80 Ca 0.28 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1fb1 h SER 80 Cb 0.18 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1fb1 h SER 80 CO -0.18 1.21 -0.13 0.28 -1.14 0.00 0.00 176.83 176.87 1fb1 h SER 81 N 0.49 0.00 1.01 3.07 0.02 -0.68 -0.39 113.55 117.06 1fb1 h SER 81 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1fb1 h SER 81 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1fb1 h SER 81 CO 0.13 0.13 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 1fb1 n LEU 82 N -3.59 0.11 0.00 5.07 4.77 0.05 -4.88 117.00 118.53 1fb1 n LEU 82 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1fb1 n LEU 82 Cb 0.26 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1fb1 n LEU 82 CO 0.30 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1fb1 n GLY 83 N 1.33 0.77 3.49 -0.72 0.00 -0.16 -5.07 105.19 104.83 1fb1 n GLY 83 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1fb1 n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fb1 n GLU 84 N -2.45 0.20 -3.97 1.61 4.07 -0.59 -5.01 120.64 114.51 1fb1 n GLU 84 Ca 0.00 -2.57 -0.34 0.00 -0.06 0.00 0.00 57.16 54.19 1fb1 n GLU 84 Cb 0.00 -0.46 -0.14 0.00 -0.06 0.00 0.00 31.44 30.77 1fb1 n GLU 84 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1fb1 s ASN 85 N -4.50 4.35 0.00 4.31 2.47 -1.26 -4.23 114.94 116.08 1fb1 s ASN 85 Ca 0.58 -0.97 0.09 0.00 0.42 0.00 0.00 52.86 52.98 1fb1 s ASN 85 Cb -0.04 -1.65 0.53 0.00 -1.45 0.00 0.00 41.25 38.65 1fb1 s ASN 85 CO 0.38 -0.15 1.05 -2.65 -3.72 0.00 0.00 177.10 172.01 1fb1 n PRO 86 N 4.64 0.62 -0.00 0.43 -0.02 -1.26 -2.70 135.00 136.70 1fb1 n PRO 86 Ca -0.16 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1fb1 n PRO 86 Cb 0.46 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.59 1fb1 n PRO 86 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1fb1 n GLN 87 N -0.73 0.41 -0.96 -0.52 -0.06 -1.26 -3.74 117.38 110.53 1fb1 n GLN 87 Ca 0.07 -0.03 -0.31 0.00 -2.00 0.00 0.00 57.00 54.73 1fb1 n GLN 87 Cb 0.03 -1.46 0.14 0.00 -4.06 0.00 0.00 30.24 24.90 1fb1 n GLN 87 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1fb1 s ARG 88 N -2.99 1.29 0.51 3.69 0.52 -1.10 -4.81 118.95 116.07 1fb1 s ARG 88 Ca 0.05 1.23 0.18 0.00 -0.52 0.00 0.00 55.73 56.67 1fb1 s ARG 88 Cb 0.15 -1.78 1.28 0.00 0.52 0.00 0.00 34.95 35.11 1fb1 s ARG 88 CO 0.83 -2.34 2.12 0.37 0.02 0.00 0.00 175.30 176.30 1fb1 h GLN 89 N -1.64 0.00 0.00 3.54 4.15 -1.93 -1.90 115.11 117.33 1fb1 h GLN 89 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1fb1 h GLN 89 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1fb1 h GLN 89 CO 0.48 0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.85 1fb1 n GLY 90 N -1.32 -1.64 0.14 2.39 0.00 -1.26 -3.60 105.19 99.89 1fb1 n GLY 90 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fb1 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fb1 n LEU 91 N -1.46 0.20 0.08 0.99 4.32 -1.23 -3.57 117.00 116.32 1fb1 n LEU 91 Ca 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 56.01 55.88 1fb1 n LEU 91 Cb 0.00 -0.10 0.25 0.00 -1.62 0.00 0.00 43.42 41.95 1fb1 n LEU 91 CO 0.00 0.05 0.71 0.25 -1.22 0.00 0.00 177.39 177.17 1fb1 h LEU 92 N 0.08 0.29 -0.50 2.23 5.85 -1.40 -3.21 115.31 118.64 1fb1 h LEU 92 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1fb1 h LEU 92 Cb 0.10 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1fb1 h LEU 92 CO 0.00 0.61 0.00 0.29 -0.34 0.00 0.00 178.44 179.00 1fb1 n LYS 93 N -4.09 2.15 -0.37 1.25 5.02 -1.23 -4.82 118.16 116.06 1fb1 n LYS 93 Ca -0.01 -0.25 0.01 0.00 -2.02 0.00 0.00 58.31 56.04 1fb1 n LYS 93 Cb 0.43 -0.72 0.07 0.00 -0.02 0.00 0.00 35.03 34.78 1fb1 n LYS 93 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fb1 h THR 94 N 0.07 0.01 -0.92 -0.18 2.02 -1.64 -0.74 112.91 111.52 1fb1 h THR 94 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 1fb1 h THR 94 Cb 0.03 0.01 -0.13 0.00 -1.74 0.00 0.00 68.15 66.32 1fb1 h THR 94 CO 0.00 0.00 0.44 1.55 0.37 0.00 0.00 175.52 177.88 1fb1 h PRO 95 N -0.00 0.41 0.00 6.66 0.13 -1.85 0.90 132.00 138.24 1fb1 h PRO 95 Ca 0.38 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.44 1fb1 h PRO 95 Cb 0.64 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1fb1 h PRO 95 CO -1.00 0.27 -0.26 -1.49 -0.23 0.00 0.00 178.00 175.29 1fb1 h TRP 96 N 0.42 0.00 0.02 1.56 4.06 -1.41 0.28 115.95 120.88 1fb1 h TRP 96 Ca 0.59 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.51 1fb1 h TRP 96 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1fb1 h TRP 96 CO -0.11 0.26 -0.10 0.00 -3.56 0.00 0.00 178.44 174.93 1fb1 h ARG 97 N 0.00 0.04 -0.12 0.49 3.08 -0.08 -1.96 114.38 115.83 1fb1 h ARG 97 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1fb1 h ARG 97 Cb 0.90 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1fb1 h ARG 97 CO 0.03 1.01 0.04 0.00 -1.07 0.00 0.00 179.97 179.98 1fb1 h ALA 98 N 0.03 0.13 0.29 0.04 0.00 0.60 0.75 119.26 121.10 1fb1 h ALA 98 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1fb1 h ALA 98 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1fb1 h ALA 98 CO 0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 179.25 178.67 1fb1 h ALA 99 N 1.07 -0.45 -0.84 0.00 0.00 -0.55 0.08 119.26 118.57 1fb1 h ALA 99 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1fb1 h ALA 99 Cb 0.03 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1fb1 h ALA 99 CO -0.05 -0.77 0.51 1.03 0.00 0.00 0.00 179.25 179.97 1fb1 h SER 100 N -0.46 0.77 -0.54 0.00 0.87 -1.10 -1.72 113.55 111.37 1fb1 h SER 100 Ca -0.03 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1fb1 h SER 100 Cb 0.39 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1fb1 h SER 100 CO 0.02 0.47 0.28 0.00 -0.53 0.00 0.00 176.83 177.08 1fb1 h ALA 101 N 1.42 0.69 -0.03 6.23 0.00 0.11 -2.38 119.26 125.31 1fb1 h ALA 101 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1fb1 h ALA 101 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fb1 h ALA 101 CO -0.20 0.23 -0.04 1.98 0.00 0.00 0.00 179.25 181.22 1fb1 h MET 102 N 0.72 0.05 0.00 0.00 4.05 -0.12 -1.30 114.93 118.33 1fb1 h MET 102 Ca 0.19 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1fb1 h MET 102 Cb 0.07 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1fb1 h MET 102 CO -0.03 0.09 -0.40 1.96 0.23 0.00 0.00 176.91 178.76 1fb1 h GLN 103 N 0.05 0.00 0.05 0.39 4.20 -0.88 -3.16 115.11 115.76 1fb1 h GLN 103 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1fb1 h GLN 103 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1fb1 h GLN 103 CO 0.01 0.40 -0.02 0.35 -0.67 0.00 0.00 178.83 178.89 1fb1 h PHE 104 N 0.00 -0.06 0.00 2.96 3.57 -1.10 -3.20 116.94 119.11 1fb1 h PHE 104 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1fb1 h PHE 104 Cb 0.81 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1fb1 h PHE 104 CO 0.00 0.56 0.00 1.19 -2.23 0.00 0.00 178.31 177.83 1fb1 n PHE 105 N -4.80 0.00 -2.93 0.41 0.99 -0.97 -2.71 117.46 107.45 1fb1 n PHE 105 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.24 1fb1 n PHE 105 Cb 0.32 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.82 1fb1 n PHE 105 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1fb1 n THR 106 N -0.86 0.17 0.27 4.37 -2.24 -1.20 -3.03 114.28 111.76 1fb1 n THR 106 Ca 0.03 -3.34 0.07 0.00 -2.27 0.00 0.00 64.05 58.55 1fb1 n THR 106 Cb 0.02 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1fb1 n THR 106 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fb1 n LYS 107 N 0.12 1.26 0.25 -0.78 2.85 -0.98 -4.27 118.16 116.62 1fb1 n LYS 107 Ca 0.15 -0.08 0.17 0.00 -1.05 0.00 0.00 58.31 57.50 1fb1 n LYS 107 Cb 0.73 -1.26 0.79 0.00 -0.65 0.00 0.00 35.03 34.64 1fb1 n LYS 107 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1fb1 h GLY 108 N 2.90 0.00 0.91 2.58 0.00 -0.60 0.28 103.07 109.14 1fb1 h GLY 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1fb1 h GLY 108 CO 0.00 0.00 0.22 -0.97 0.00 0.00 0.00 176.54 175.79 1fb1 h TYR 109 N 0.00 0.41 -0.03 5.60 -1.99 -1.74 -2.56 116.97 116.66 1fb1 h TYR 109 Ca 0.07 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1fb1 h TYR 109 Cb 0.80 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.40 1fb1 h TYR 109 CO 0.00 0.24 0.01 0.00 -0.00 0.00 0.00 178.16 178.40 1fb1 n GLN 110 N -4.88 1.15 -4.49 4.88 10.64 0.99 -4.56 117.38 121.12 1fb1 n GLN 110 Ca 0.01 -0.14 -0.21 0.00 -1.83 0.00 0.00 57.00 54.82 1fb1 n GLN 110 Cb 0.06 -1.43 -0.15 0.00 -0.86 0.00 0.00 30.24 27.86 1fb1 n GLN 110 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1fb1 s GLU 111 N -0.87 1.00 -0.19 2.61 2.02 -0.96 -4.86 118.70 117.45 1fb1 s GLU 111 Ca 0.03 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 1fb1 s GLU 111 Cb 0.02 -0.94 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 1fb1 s GLU 111 CO 0.01 0.20 -0.01 0.99 0.02 0.00 0.00 175.26 176.46 1fb1 s THR 112 N -0.08 3.93 0.11 3.63 2.01 -1.26 -5.00 115.64 118.97 1fb1 s THR 112 Ca 0.01 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 1fb1 s THR 112 Cb -0.06 -2.76 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1fb1 s THR 112 CO 0.00 0.45 1.40 0.40 -0.69 0.00 0.00 174.62 176.18 1fb1 h ILE 113 N 5.30 0.00 -0.95 1.82 5.03 -1.98 0.15 117.51 126.87 1fb1 h ILE 113 Ca -0.34 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.50 1fb1 h ILE 113 Cb 1.18 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.84 1fb1 h ILE 113 CO 0.62 0.00 -0.50 -1.20 -0.68 0.00 0.00 178.15 176.39 1fb1 n SER 114 N -4.67 -0.87 -0.38 1.72 7.64 -1.26 -0.27 113.62 115.52 1fb1 n SER 114 Ca -0.01 1.68 -0.01 0.00 1.01 0.00 0.00 58.87 61.55 1fb1 n SER 114 Cb 0.22 -0.28 0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1fb1 n SER 114 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1fb1 n ASP 115 N -5.26 -0.65 0.22 6.43 2.03 -0.00 -0.92 116.55 118.39 1fb1 n ASP 115 Ca 0.05 1.74 0.09 0.00 0.52 0.00 0.00 54.79 57.20 1fb1 n ASP 115 Cb 0.29 -0.40 0.47 0.00 -0.72 0.00 0.00 41.12 40.77 1fb1 n ASP 115 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1fb1 h VAL 116 N 0.00 0.61 0.00 5.18 2.07 -0.15 -3.40 116.25 120.56 1fb1 h VAL 116 Ca 0.35 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1fb1 h VAL 116 Cb 0.60 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1fb1 h VAL 116 CO -0.99 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.01 1fb1 n LEU 117 N -3.45 0.00 -3.03 2.57 4.32 -0.09 -4.91 117.00 112.40 1fb1 n LEU 117 Ca -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1fb1 n LEU 117 Cb 0.42 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1fb1 n LEU 117 CO 0.33 0.00 -0.44 -3.20 -1.22 0.00 0.00 177.39 172.87 1fb1 n ASN 118 N 0.00 -6.69 0.00 -1.43 5.15 -1.26 -4.80 115.26 106.24 1fb1 n ASN 118 Ca 0.00 0.77 0.00 0.00 -0.60 0.00 0.00 54.58 54.75 1fb1 n ASN 118 Cb 0.00 -2.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.62 1fb1 n ASN 118 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1fb1 n ASP 119 N 1.38 0.00 -3.63 1.20 4.64 -1.26 -5.05 116.55 113.82 1fb1 n ASP 119 Ca -0.03 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.97 1fb1 n ASP 119 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.41 1fb1 n ASP 119 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1fb1 n ALA 120 N 0.00 6.24 -0.51 -1.67 0.00 -1.26 -4.03 120.51 119.28 1fb1 n ALA 120 Ca 0.00 -4.33 -0.20 0.00 0.00 0.00 0.00 53.44 48.91 1fb1 n ALA 120 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 1fb1 n ALA 120 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1fb1 n ILE 121 N 1.45 0.00 -2.57 0.00 -0.00 -1.23 -4.54 119.36 112.47 1fb1 n ILE 121 Ca 0.51 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.85 1fb1 n ILE 121 Cb 0.28 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.64 39.83 1fb1 n ILE 121 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 1fb1 s PHE 122 N 0.34 2.56 -0.24 1.39 5.36 -1.26 -2.97 117.98 123.16 1fb1 s PHE 122 Ca 0.31 -0.94 -0.19 0.00 -0.96 0.00 0.00 56.93 55.15 1fb1 s PHE 122 Cb -0.43 -4.70 -0.16 0.00 -0.34 0.00 0.00 43.02 37.38 1fb1 s PHE 122 CO 0.21 -1.92 -0.00 -3.47 -1.46 0.00 0.00 175.22 168.58 1fb1 n ASP 123 N 8.81 1.90 0.00 6.13 2.03 -1.21 -4.91 116.55 129.30 1fb1 n ASP 123 Ca 0.35 0.39 0.00 0.00 0.52 0.00 0.00 54.79 56.05 1fb1 n ASP 123 Cb 0.50 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1fb1 n ASP 123 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1fb1 n GLU 124 N -4.36 0.00 -0.75 -0.67 2.13 0.56 -4.70 120.64 112.85 1fb1 n GLU 124 Ca -0.41 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.40 1fb1 n GLU 124 Cb 0.76 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.46 1fb1 n GLU 124 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fb1 n ASP 125 N 1.07 -1.40 0.09 4.31 4.64 -1.26 -3.75 116.55 120.25 1fb1 n ASP 125 Ca 0.00 -0.95 0.00 0.00 -1.38 0.00 0.00 54.79 52.46 1fb1 n ASP 125 Cb 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.65 1fb1 n ASP 125 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 1fb1 n HIS 126 N 3.30 -2.97 -4.03 -0.67 -0.00 -1.26 -5.04 115.22 104.55 1fb1 n HIS 126 Ca 0.05 0.60 -0.28 0.00 0.46 0.00 0.00 57.72 58.55 1fb1 n HIS 126 Cb 0.33 1.74 -0.04 0.00 -0.12 0.00 0.00 29.99 31.91 1fb1 n HIS 126 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1fb1 n ASP 127 N -2.77 -0.34 -3.39 0.26 5.68 -1.25 -4.95 116.55 109.78 1fb1 n ASP 127 Ca 0.00 -1.08 -0.03 0.00 -0.50 0.00 0.00 54.79 53.18 1fb1 n ASP 127 Cb 0.00 -2.67 -0.05 0.00 -1.14 0.00 0.00 41.12 37.26 1fb1 n ASP 127 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1fb1 s GLU 128 N -6.75 0.47 -0.25 0.11 0.41 -1.26 -5.05 118.70 106.38 1fb1 s GLU 128 Ca 0.04 0.98 -0.24 0.00 -0.41 0.00 0.00 54.97 55.34 1fb1 s GLU 128 Cb -0.02 0.32 -0.10 0.00 -1.78 0.00 0.00 34.13 32.55 1fb1 s GLU 128 CO 0.92 -0.48 0.82 -0.12 -0.49 0.00 0.00 175.26 175.91 1fb1 n MET 129 N 5.41 0.00 -4.59 1.61 0.00 -1.26 -4.79 117.12 113.50 1fb1 n MET 129 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.31 1fb1 n MET 129 Cb 0.50 -0.78 -0.12 0.00 0.00 0.00 0.00 33.22 32.82 1fb1 n MET 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fb1 s VAL 130 N 1.50 3.58 0.04 1.12 1.01 -0.88 -5.00 120.40 121.78 1fb1 s VAL 130 Ca 0.54 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1fb1 s VAL 130 Cb -0.77 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1fb1 s VAL 130 CO 0.42 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 175.31 1fb1 s ILE 131 N -0.02 0.85 -0.33 2.22 1.01 -1.26 -1.93 121.20 121.73 1fb1 s ILE 131 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1fb1 s ILE 131 Cb -0.14 -0.82 0.11 0.00 0.01 0.00 0.00 42.46 41.62 1fb1 s ILE 131 CO 0.03 -0.18 0.14 -0.69 0.00 0.00 0.00 174.94 174.25 1fb1 s VAL 132 N -1.07 0.65 0.52 2.92 1.01 0.13 -5.01 120.40 119.55 1fb1 s VAL 132 Ca -0.03 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1fb1 s VAL 132 Cb -0.09 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 34.92 1fb1 s VAL 132 CO 0.01 -0.77 0.71 2.29 0.00 0.00 0.00 175.10 177.34 1fb1 n LYS 133 N 4.60 -0.34 -4.04 2.72 2.85 -1.26 -2.24 118.16 120.45 1fb1 n LYS 133 Ca 0.01 -1.42 -0.31 0.00 -1.05 0.00 0.00 58.31 55.53 1fb1 n LYS 133 Cb 0.40 -0.63 -0.07 0.00 -0.65 0.00 0.00 35.03 34.08 1fb1 n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1fb1 n ASP 134 N -3.25 -0.45 -4.63 -5.58 8.00 -1.25 -4.90 116.55 104.48 1fb1 n ASP 134 Ca 0.10 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 1fb1 n ASP 134 Cb 0.35 -1.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.07 1fb1 n ASP 134 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fb1 s ILE 135 N -3.47 4.82 0.59 0.53 1.01 -0.49 -4.87 121.20 119.32 1fb1 s ILE 135 Ca 0.38 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 1fb1 s ILE 135 Cb -0.22 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1fb1 s ILE 135 CO 0.85 -0.16 1.14 -1.81 0.00 0.00 0.00 174.94 174.97 1fb1 s ASP 136 N 1.50 5.40 -0.21 3.58 1.01 -1.26 0.19 116.67 126.87 1fb1 s ASP 136 Ca 0.33 2.19 -0.14 0.00 0.71 0.00 0.00 52.55 55.64 1fb1 s ASP 136 Cb -0.15 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.27 1fb1 s ASP 136 CO 0.10 -1.44 0.52 -0.32 0.21 0.00 0.00 175.17 174.25 1fb1 s MET 137 N -3.51 0.55 0.09 8.23 -2.45 -0.31 -4.82 119.30 117.09 1fb1 s MET 137 Ca 0.72 0.89 0.10 0.00 -1.25 0.00 0.00 55.69 56.15 1fb1 s MET 137 Cb -0.25 0.12 -0.03 0.00 1.25 0.00 0.00 34.83 35.92 1fb1 s MET 137 CO 0.32 -0.13 -0.26 -0.59 1.05 0.00 0.00 175.02 175.41 1fb1 s PHE 138 N 1.11 2.27 0.28 4.11 -0.12 -1.26 -1.37 117.98 122.99 1fb1 s PHE 138 Ca -0.07 -0.40 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 1fb1 s PHE 138 Cb -0.06 -1.30 0.05 0.00 -0.63 0.00 0.00 43.02 41.09 1fb1 s PHE 138 CO -0.10 0.23 0.85 0.45 -0.05 0.00 0.00 175.22 176.60 1fb1 s SER 139 N -1.65 -0.10 0.08 1.98 0.15 -0.25 -4.50 113.70 109.41 1fb1 s SER 139 Ca 0.12 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 56.04 1fb1 s SER 139 Cb -0.10 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1fb1 s SER 139 CO 0.04 -1.32 0.02 -0.04 1.20 0.00 0.00 173.24 173.14 1fb1 s MET 140 N -2.88 2.66 -0.27 5.44 -1.94 -1.25 -0.12 119.30 120.95 1fb1 s MET 140 Ca 0.15 -0.78 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 1fb1 s MET 140 Cb -0.04 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1fb1 s MET 140 CO 0.07 0.55 0.40 0.00 -0.01 0.00 0.00 175.02 176.03 1fb1 n GLU 142 N 5.33 0.00 0.00 0.00 0.28 -0.93 0.11 120.64 125.43 1fb1 n GLU 142 Ca -0.08 0.24 -0.11 0.00 -0.16 0.00 0.00 57.16 57.06 1fb1 n GLU 142 Cb 0.51 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.73 1fb1 n GLU 142 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1fb1 h HIS 143 N 0.00 0.10 0.00 -1.84 3.86 -1.92 -3.41 115.15 111.94 1fb1 h HIS 143 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1fb1 h HIS 143 Cb 0.26 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1fb1 h HIS 143 CO 0.00 1.13 0.00 0.72 0.86 0.00 0.00 177.93 180.64 1fb1 n HIS 144 N -3.18 0.00 -3.18 2.45 8.25 -1.16 -5.04 115.22 113.37 1fb1 n HIS 144 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1fb1 n HIS 144 Cb 1.04 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.22 1fb1 n HIS 144 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1fb1 n LEU 145 N -0.11 -4.80 -4.04 2.41 4.77 0.30 -5.00 117.00 110.54 1fb1 n LEU 145 Ca 0.00 -0.62 -0.23 0.00 -0.03 0.00 0.00 56.01 55.13 1fb1 n LEU 145 Cb 0.10 -2.96 -0.16 0.00 -2.33 0.00 0.00 43.42 38.07 1fb1 n LEU 145 CO 0.00 0.19 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.10 1fb1 s VAL 146 N -3.35 1.03 0.74 4.08 1.01 -1.25 -4.84 120.40 117.82 1fb1 s VAL 146 Ca 0.26 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1fb1 s VAL 146 Cb -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1fb1 s VAL 146 CO 0.67 0.31 0.27 -2.65 0.00 0.00 0.00 175.10 173.70 1fb1 n PRO 147 N 3.34 0.18 -3.70 2.72 -0.02 -1.26 -1.97 135.00 134.29 1fb1 n PRO 147 Ca -0.19 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.26 1fb1 n PRO 147 Cb 0.53 -1.61 -0.13 0.00 -0.02 0.00 0.00 33.50 32.28 1fb1 n PRO 147 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1fb1 s PHE 148 N -1.97 -0.42 0.08 6.00 -0.12 0.83 -2.43 117.98 119.96 1fb1 s PHE 148 Ca 0.61 0.95 0.03 0.00 -0.05 0.00 0.00 56.93 58.46 1fb1 s PHE 148 Cb -0.34 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1fb1 s PHE 148 CO 0.63 -0.30 -0.08 0.08 -0.05 0.00 0.00 175.22 175.50 1fb1 s VAL 149 N 1.73 0.74 -1.27 -2.49 1.01 -1.06 -1.09 120.40 117.97 1fb1 s VAL 149 Ca -0.06 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1fb1 s VAL 149 Cb -0.11 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1fb1 s VAL 149 CO -0.09 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 174.98 1fb1 n GLY 150 N 0.54 -0.71 3.45 4.51 0.00 -0.47 -0.41 105.19 112.09 1fb1 n GLY 150 Ca -0.16 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1fb1 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fb1 s LYS 151 N -0.51 1.63 -0.07 1.61 1.02 -0.24 -1.16 119.74 122.03 1fb1 s LYS 151 Ca 0.00 -1.73 0.01 0.00 0.02 0.00 0.00 55.97 54.27 1fb1 s LYS 151 Cb 0.00 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 1fb1 s LYS 151 CO 0.00 0.32 -0.09 0.08 -0.92 0.00 0.00 175.35 174.74 1fb1 s VAL 152 N -2.48 0.96 -0.13 3.17 1.01 0.13 -1.98 120.40 121.07 1fb1 s VAL 152 Ca 0.28 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1fb1 s VAL 152 Cb -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1fb1 s VAL 152 CO 0.14 0.33 -0.19 -1.00 0.00 0.00 0.00 175.10 174.37 1fb1 s HIS 153 N 0.97 2.42 0.12 5.22 0.09 -0.09 -1.39 115.29 122.62 1fb1 s HIS 153 Ca -0.09 -1.24 0.08 0.00 -0.00 0.00 0.00 55.06 53.81 1fb1 s HIS 153 Cb -0.15 -1.68 -0.04 0.00 -0.00 0.00 0.00 32.58 30.71 1fb1 s HIS 153 CO 0.00 -0.60 -0.14 0.42 -0.00 0.00 0.00 174.74 174.43 1fb1 s ILE 154 N 0.98 3.11 -0.05 0.60 1.01 -0.95 -1.64 121.20 124.26 1fb1 s ILE 154 Ca -0.05 -1.41 -0.09 0.00 0.00 0.00 0.00 60.65 59.10 1fb1 s ILE 154 Cb -0.15 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1fb1 s ILE 154 CO -0.04 0.09 0.22 -0.83 0.00 0.00 0.00 174.94 174.38 1fb1 s GLY 155 N -2.23 -0.10 0.18 6.18 0.00 0.19 -0.70 107.32 110.84 1fb1 s GLY 155 Ca 0.20 0.35 -0.18 0.00 0.00 0.00 0.00 44.72 45.09 1fb1 s GLY 155 CO 0.12 0.22 0.52 -2.52 0.00 0.00 0.00 173.10 171.45 1fb1 s TYR 156 N -0.62 -0.17 -0.62 1.90 -0.85 -0.82 0.31 117.35 116.49 1fb1 s TYR 156 Ca -0.07 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1fb1 s TYR 156 Cb -0.04 0.40 0.16 0.00 0.38 0.00 0.00 41.96 42.86 1fb1 s TYR 156 CO 0.01 -0.89 0.43 -0.51 -1.52 0.00 0.00 175.55 173.07 1fb1 s LEU 157 N -2.85 5.16 0.19 -3.49 1.43 0.02 -2.08 118.68 117.07 1fb1 s LEU 157 Ca 0.08 -2.88 -0.30 0.00 -1.03 0.00 0.00 54.13 50.00 1fb1 s LEU 157 Cb -0.01 -1.84 -0.17 0.00 0.03 0.00 0.00 46.19 44.21 1fb1 s LEU 157 CO -0.05 -0.35 0.70 -2.65 0.23 0.00 0.00 176.35 174.23 1fb1 n PRO 158 N 3.44 0.29 0.00 1.29 -0.02 -1.26 -1.17 135.00 137.57 1fb1 n PRO 158 Ca 0.08 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1fb1 n PRO 158 Cb 0.37 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1fb1 n PRO 158 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fb1 n ASN 159 N 1.82 0.00 -0.06 2.55 5.15 -1.26 -4.33 115.26 119.13 1fb1 n ASN 159 Ca 0.17 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.12 1fb1 n ASN 159 Cb 0.24 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.35 1fb1 n ASN 159 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1fb1 n LYS 160 N 0.00 0.99 -4.76 1.20 5.02 -1.26 -4.44 118.16 114.91 1fb1 n LYS 160 Ca 0.00 -0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1fb1 n LYS 160 Cb 0.00 -1.44 -0.13 0.00 -0.02 0.00 0.00 35.03 33.45 1fb1 n LYS 160 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1fb1 s GLN 161 N -2.70 2.39 -0.07 1.97 1.11 -1.26 0.21 119.66 121.31 1fb1 s GLN 161 Ca -0.08 -0.78 0.05 0.00 0.01 0.00 0.00 55.36 54.56 1fb1 s GLN 161 Cb 0.07 -2.35 -0.00 0.00 -1.01 0.00 0.00 33.01 29.72 1fb1 s GLN 161 CO 0.72 0.60 -0.22 0.08 0.01 0.00 0.00 175.29 176.48 1fb1 s VAL 162 N -0.83 1.85 -0.09 1.09 1.01 -1.16 -4.72 120.40 117.56 1fb1 s VAL 162 Ca 0.13 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1fb1 s VAL 162 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1fb1 s VAL 162 CO 0.03 0.52 0.50 -0.22 0.00 0.00 0.00 175.10 175.93 1fb1 s LEU 163 N 0.15 4.32 -0.03 3.92 2.96 -1.26 -3.49 118.68 125.25 1fb1 s LEU 163 Ca -0.11 0.91 -0.36 0.00 -0.22 0.00 0.00 54.13 54.35 1fb1 s LEU 163 Cb -0.15 -2.75 -0.15 0.00 0.50 0.00 0.00 46.19 43.64 1fb1 s LEU 163 CO 0.05 0.04 1.63 0.61 -1.32 0.00 0.00 176.35 177.36 1fb1 n GLY 164 N 3.00 0.96 0.51 7.98 0.00 -1.26 -4.81 105.19 111.58 1fb1 n GLY 164 Ca -0.07 0.79 0.32 0.00 0.00 0.00 0.00 46.02 47.06 1fb1 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fb1 h LEU 165 N 6.68 0.00 -0.70 0.99 4.07 -1.96 -1.09 115.31 123.30 1fb1 h LEU 165 Ca -0.47 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.46 1fb1 h LEU 165 Cb 1.30 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.00 1fb1 h LEU 165 CO 0.89 0.00 0.34 0.28 -1.08 0.00 0.00 178.44 178.87 1fb1 h SER 166 N 0.00 0.92 0.91 -0.43 0.02 -2.01 -2.79 113.55 110.17 1fb1 h SER 166 Ca 0.50 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 61.17 1fb1 h SER 166 Cb 2.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.34 1fb1 h SER 166 CO -0.01 0.80 -0.69 0.11 -1.14 0.00 0.00 176.83 175.90 1fb1 h LYS 167 N 0.98 0.00 0.00 3.45 1.79 -1.56 -3.00 116.57 118.24 1fb1 h LYS 167 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1fb1 h LYS 167 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1fb1 h LYS 167 CO -0.03 0.69 0.17 -0.07 -1.08 0.00 0.00 179.45 179.13 1fb1 h LEU 168 N 0.00 0.00 0.00 2.94 3.38 -1.35 0.19 115.31 120.47 1fb1 h LEU 168 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fb1 h LEU 168 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1fb1 h LEU 168 CO 0.09 0.00 -1.17 0.00 0.09 0.00 0.00 178.44 177.44 1fb1 n ALA 169 N -1.88 4.37 0.05 1.53 0.00 -1.13 -4.24 120.51 119.20 1fb1 n ALA 169 Ca -0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 1fb1 n ALA 169 Cb 0.22 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1fb1 n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1fb1 h ARG 170 N 0.00 0.22 -0.55 0.00 9.65 -0.67 -3.27 114.38 119.76 1fb1 h ARG 170 Ca 0.00 -0.37 0.09 0.00 -1.10 0.00 0.00 59.98 58.60 1fb1 h ARG 170 Cb 0.60 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 1fb1 h ARG 170 CO 0.00 1.06 0.37 0.82 2.80 0.00 0.00 179.97 185.02 1fb1 h ILE 171 N 0.06 0.91 -0.19 1.20 2.04 -1.65 -0.48 117.51 119.40 1fb1 h ILE 171 Ca -0.24 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 1fb1 h ILE 171 Cb 2.00 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1fb1 h ILE 171 CO 0.15 0.07 -0.43 0.58 0.00 0.00 0.00 178.15 178.52 1fb1 h VAL 172 N 0.38 1.31 0.00 1.67 2.07 -1.75 -3.16 116.25 116.77 1fb1 h VAL 172 Ca 0.25 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1fb1 h VAL 172 Cb 0.48 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1fb1 h VAL 172 CO -0.06 0.50 -0.07 1.05 0.02 0.00 0.00 177.57 179.00 1fb1 h GLU 173 N 0.38 0.00 0.00 1.57 4.11 -1.18 -0.55 114.58 118.91 1fb1 h GLU 173 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1fb1 h GLU 173 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1fb1 h GLU 173 CO 0.08 0.00 -0.14 0.82 0.07 0.00 0.00 179.01 179.84 1fb1 h ILE 174 N 0.00 0.26 0.00 -1.06 2.04 -1.41 -3.01 117.51 114.34 1fb1 h ILE 174 Ca 0.00 -1.16 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 1fb1 h ILE 174 Cb 0.91 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1fb1 h ILE 174 CO 0.00 0.13 -1.73 -1.22 0.00 0.00 0.00 178.15 175.33 1fb1 n TYR 175 N -3.17 0.00 0.14 1.37 4.02 -1.17 -4.28 117.16 114.08 1fb1 n TYR 175 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1fb1 n TYR 175 Cb 0.51 -0.45 0.16 0.00 -0.02 0.00 0.00 39.34 39.54 1fb1 n TYR 175 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1fb1 h SER 176 N 0.00 0.00 -0.42 7.72 4.64 -1.18 -3.32 113.55 120.99 1fb1 h SER 176 Ca -0.15 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.49 1fb1 h SER 176 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1fb1 h SER 176 CO 0.01 0.57 3.20 0.54 -0.87 0.00 0.00 176.83 180.28 1fb1 n ARG 177 N -3.53 3.95 -3.76 4.77 3.00 -1.14 -4.17 116.66 115.79 1fb1 n ARG 177 Ca -0.00 -2.61 -0.07 0.00 -0.01 0.00 0.00 57.85 55.16 1fb1 n ARG 177 Cb 0.65 -2.71 -0.02 0.00 0.00 0.00 0.00 32.46 30.38 1fb1 n ARG 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1fb1 s ARG 178 N 0.92 1.56 -0.44 5.56 0.52 -1.17 0.01 118.95 125.90 1fb1 s ARG 178 Ca 0.64 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 1fb1 s ARG 178 Cb 0.19 0.56 0.02 0.00 0.52 0.00 0.00 34.95 36.23 1fb1 s ARG 178 CO -0.07 -0.71 1.31 -0.51 0.02 0.00 0.00 175.30 175.33 1fb1 s LEU 179 N -2.88 3.60 0.49 2.53 1.43 -1.26 -3.83 118.68 118.75 1fb1 s LEU 179 Ca 0.10 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1fb1 s LEU 179 Cb -0.04 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1fb1 s LEU 179 CO 0.03 -1.38 0.03 -1.10 0.23 0.00 0.00 176.35 174.16 1fb1 s GLN 180 N 4.78 2.13 -0.04 1.70 -1.52 -1.08 -4.77 119.66 120.86 1fb1 s GLN 180 Ca 0.56 -2.34 -0.02 0.00 -1.95 0.00 0.00 55.36 51.61 1fb1 s GLN 180 Cb -0.11 -1.34 0.03 0.00 -0.22 0.00 0.00 33.01 31.37 1fb1 s GLN 180 CO 0.32 -0.37 0.07 0.08 -0.25 0.00 0.00 175.29 175.14 1fb1 s VAL 181 N -2.94 -0.11 0.04 1.09 1.01 -1.26 -2.19 120.40 116.03 1fb1 s VAL 181 Ca 0.11 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1fb1 s VAL 181 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1fb1 s VAL 181 CO 0.06 0.16 0.70 1.67 0.00 0.00 0.00 175.10 177.69 1fb1 n GLN 182 N 5.12 -0.11 -0.21 2.72 7.27 -1.26 0.54 117.38 131.44 1fb1 n GLN 182 Ca -0.07 0.69 -0.06 0.00 0.07 0.00 0.00 57.00 57.63 1fb1 n GLN 182 Cb 0.50 -1.02 -0.05 0.00 2.41 0.00 0.00 30.24 32.08 1fb1 n GLN 182 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1fb1 n GLU 183 N -3.47 -0.22 0.28 3.69 4.71 -1.26 -0.23 120.64 124.13 1fb1 n GLU 183 Ca 0.00 0.97 -0.16 0.00 -0.01 0.00 0.00 57.16 57.96 1fb1 n GLU 183 Cb 0.06 -1.43 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 1fb1 n GLU 183 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1fb1 h ARG 184 N 0.00 -0.68 -1.02 3.49 2.43 -0.33 -1.88 114.38 116.39 1fb1 h ARG 184 Ca 0.08 0.05 0.39 0.00 -0.81 0.00 0.00 59.98 59.69 1fb1 h ARG 184 Cb 0.21 0.15 -0.17 0.00 -0.42 0.00 0.00 29.97 29.74 1fb1 h ARG 184 CO -0.48 -0.45 0.56 1.25 -1.51 0.00 0.00 179.97 179.34 1fb1 h LEU 185 N -0.71 0.37 0.00 3.80 6.46 0.15 -1.54 115.31 123.85 1fb1 h LEU 185 Ca -0.06 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1fb1 h LEU 185 Cb 0.57 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1fb1 h LEU 185 CO 0.07 -0.34 0.00 0.41 -0.62 0.00 0.00 178.44 177.96 1fb1 n THR 186 N -5.18 0.00 -0.22 1.05 -1.04 0.68 -3.35 114.28 106.22 1fb1 n THR 186 Ca 0.36 1.10 0.31 0.00 -2.04 0.00 0.00 64.05 63.78 1fb1 n THR 186 Cb 1.21 -2.07 0.63 0.00 -1.82 0.00 0.00 70.33 68.28 1fb1 n THR 186 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1fb1 h LYS 187 N 0.00 0.00 -0.28 -2.82 3.64 -0.86 -1.55 116.57 114.70 1fb1 h LYS 187 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1fb1 h LYS 187 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1fb1 h LYS 187 CO 0.00 0.00 -0.18 1.96 -2.27 0.00 0.00 179.45 178.96 1fb1 h GLN 188 N 0.00 0.62 -0.21 1.90 4.20 -1.32 -2.14 115.11 118.16 1fb1 h GLN 188 Ca 0.49 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 1fb1 h GLN 188 Cb 2.46 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 30.23 1fb1 h GLN 188 CO -0.01 0.88 -0.15 0.82 -0.67 0.00 0.00 178.83 179.71 1fb1 h ILE 189 N 0.36 1.32 -0.08 2.54 2.04 -1.29 0.20 117.51 122.60 1fb1 h ILE 189 Ca 0.06 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.67 1fb1 h ILE 189 Cb 0.72 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1fb1 h ILE 189 CO 0.05 0.39 -0.16 0.00 0.00 0.00 0.00 178.15 178.43 1fb1 h ALA 190 N 0.68 -0.49 0.31 1.87 0.00 -1.47 -2.25 119.26 117.91 1fb1 h ALA 190 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fb1 h ALA 190 Cb 0.67 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1fb1 h ALA 190 CO 0.04 -0.56 -0.42 0.28 0.00 0.00 0.00 179.25 178.59 1fb1 h VAL 191 N -0.14 0.15 0.00 0.00 2.07 -1.40 -1.56 116.25 115.38 1fb1 h VAL 191 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1fb1 h VAL 191 Cb 0.18 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1fb1 h VAL 191 CO -0.15 0.00 0.52 0.00 0.02 0.00 0.00 177.57 177.97 1fb1 h ALA 192 N -0.41 1.46 0.03 1.67 0.00 -0.84 0.40 119.26 121.57 1fb1 h ALA 192 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 1fb1 h ALA 192 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1fb1 h ALA 192 CO -0.13 -0.46 -2.24 -0.89 0.00 0.00 0.00 179.25 175.53 1fb1 n ILE 193 N -2.39 1.56 0.24 0.00 5.41 -0.66 -2.86 119.36 120.65 1fb1 n ILE 193 Ca -0.01 -0.68 -0.16 0.00 1.00 0.00 0.00 62.75 62.90 1fb1 n ILE 193 Cb 0.55 -1.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.16 1fb1 n ILE 193 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1fb1 h THR 194 N 0.02 0.35 0.00 1.39 2.02 0.54 -1.81 112.91 115.42 1fb1 h THR 194 Ca -0.50 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1fb1 h THR 194 Cb 2.02 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1fb1 h THR 194 CO 0.00 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.55 1fb1 h GLU 195 N -0.70 0.00 0.02 6.66 5.08 -1.32 0.57 114.58 124.89 1fb1 h GLU 195 Ca -0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.02 1fb1 h GLU 195 Cb 0.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1fb1 h GLU 195 CO -0.02 0.01 -1.83 0.00 -1.00 0.00 0.00 179.01 176.17 1fb1 n ALA 196 N -2.10 1.40 0.48 3.43 0.00 -0.98 -4.48 120.51 118.26 1fb1 n ALA 196 Ca -0.01 -0.80 0.05 0.00 0.00 0.00 0.00 53.44 52.68 1fb1 n ALA 196 Cb 0.18 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 1fb1 n ALA 196 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fb1 n LEU 197 N -3.09 0.65 -3.87 0.00 4.77 -0.72 -5.02 117.00 109.71 1fb1 n LEU 197 Ca -0.21 -0.56 -0.34 0.00 -0.03 0.00 0.00 56.01 54.87 1fb1 n LEU 197 Cb 1.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.17 1fb1 n LEU 197 CO 0.44 0.15 -0.15 0.54 -1.33 0.00 0.00 177.39 177.04 1fb1 n ARG 198 N -1.03 -1.43 -2.60 3.23 1.74 0.20 -4.37 116.66 112.40 1fb1 n ARG 198 Ca 0.02 0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 57.19 1fb1 n ARG 198 Cb 0.17 -3.79 0.03 0.00 -1.02 0.00 0.00 32.46 27.85 1fb1 n ARG 198 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1fb1 s PRO 199 N -6.55 2.89 0.54 5.56 0.04 -1.25 -4.51 135.00 131.72 1fb1 s PRO 199 Ca 0.35 -0.26 0.34 0.00 0.04 0.00 0.00 61.00 61.47 1fb1 s PRO 199 Cb -0.15 -2.38 1.42 0.00 0.04 0.00 0.00 34.50 33.43 1fb1 s PRO 199 CO 0.90 -0.59 1.99 0.00 0.04 0.00 0.00 177.00 179.35 1fb1 h ALA 200 N 0.01 1.00 0.00 8.56 0.00 -1.39 -3.46 119.26 123.98 1fb1 h ALA 200 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1fb1 h ALA 200 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fb1 h ALA 200 CO 0.59 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1fb1 n GLY 201 N -0.05 1.29 3.22 0.00 0.00 -1.25 -2.42 105.19 105.98 1fb1 n GLY 201 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1fb1 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fb1 s VAL 202 N -1.71 1.50 -0.04 1.61 1.01 -0.62 -0.80 120.40 121.35 1fb1 s VAL 202 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1fb1 s VAL 202 Cb 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1fb1 s VAL 202 CO 0.00 0.18 0.05 -0.83 0.00 0.00 0.00 175.10 174.50 1fb1 s GLY 203 N -1.09 0.22 -0.05 4.51 0.00 0.15 0.93 107.32 111.99 1fb1 s GLY 203 Ca 0.06 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.97 1fb1 s GLY 203 CO 0.01 1.29 -0.09 0.14 0.00 0.00 0.00 173.10 174.45 1fb1 s VAL 204 N 2.03 0.88 -0.01 1.40 1.01 -1.23 0.54 120.40 125.01 1fb1 s VAL 204 Ca 0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1fb1 s VAL 204 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1fb1 s VAL 204 CO -0.03 0.30 0.03 0.54 0.00 0.00 0.00 175.10 175.93 1fb1 s VAL 205 N 0.74 -0.02 -0.01 2.92 0.11 -0.65 -2.27 120.40 121.21 1fb1 s VAL 205 Ca -0.13 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1fb1 s VAL 205 Cb -0.15 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 1fb1 s VAL 205 CO 0.02 0.04 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.97 1fb1 s VAL 206 N 0.45 1.32 -0.02 2.04 1.01 -1.07 -0.92 120.40 123.22 1fb1 s VAL 206 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1fb1 s VAL 206 Cb -0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1fb1 s VAL 206 CO -0.01 0.37 -0.08 -1.83 0.00 0.00 0.00 175.10 173.55 1fb1 s GLU 207 N -0.40 0.75 0.03 2.72 -1.05 -0.84 -1.25 118.70 118.66 1fb1 s GLU 207 Ca 0.06 -0.27 -0.27 0.00 -0.15 0.00 0.00 54.97 54.34 1fb1 s GLU 207 Cb -0.06 -0.73 0.09 0.00 -0.44 0.00 0.00 34.13 32.99 1fb1 s GLU 207 CO -0.01 0.12 0.75 0.00 0.95 0.00 0.00 175.26 177.08 1fb1 s ALA 208 N 0.05 -1.74 -0.27 -0.84 0.00 -0.62 -1.07 121.76 117.26 1fb1 s ALA 208 Ca -0.00 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1fb1 s ALA 208 Cb -0.06 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 1fb1 s ALA 208 CO -0.00 -0.61 0.20 0.99 0.00 0.00 0.00 175.76 176.34 1fb1 s THR 209 N -2.71 5.31 -0.14 0.00 2.01 0.45 -0.70 115.64 119.87 1fb1 s THR 209 Ca -0.01 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 1fb1 s THR 209 Cb -0.01 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1fb1 s THR 209 CO -0.05 0.26 0.69 -1.00 -0.69 0.00 0.00 174.62 173.82 1fb1 s HIS 210 N 1.70 3.47 0.47 4.92 3.76 -1.26 -2.56 115.29 125.80 1fb1 s HIS 210 Ca 0.08 1.12 0.36 0.00 -0.15 0.00 0.00 55.06 56.47 1fb1 s HIS 210 Cb -0.16 -2.83 1.88 0.00 1.11 0.00 0.00 32.58 32.58 1fb1 s HIS 210 CO 0.10 -0.06 2.20 1.98 -0.85 0.00 0.00 174.74 178.11 1fb1 h MET 211 N 7.12 0.00 -0.06 1.40 4.05 -1.77 -2.77 114.93 122.90 1fb1 h MET 211 Ca -0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1fb1 h MET 211 Cb 1.16 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1fb1 h MET 211 CO 0.78 0.03 0.04 0.00 0.23 0.00 0.00 176.91 177.99 1fb1 h MET 213 N 0.06 -0.56 0.00 0.00 2.07 -1.69 -2.28 114.93 112.52 1fb1 h MET 213 Ca 0.02 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1fb1 h MET 213 Cb 0.02 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1fb1 h MET 213 CO -0.00 -0.37 0.02 1.55 1.07 0.00 0.00 176.91 179.17 1fb1 n VAL 214 N -4.95 0.35 0.00 -2.22 3.14 -1.07 -3.00 118.33 110.58 1fb1 n VAL 214 Ca -0.07 0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1fb1 n VAL 214 Cb 0.23 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 1fb1 n VAL 214 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fb1 n MET 215 N -1.01 0.00 -0.18 1.45 2.81 -0.82 -4.59 117.12 114.78 1fb1 n MET 215 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1fb1 n MET 215 Cb 0.02 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 32.65 1fb1 n MET 215 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1fb1 n ARG 216 N 0.00 -2.91 0.00 0.03 -4.01 -0.86 -3.88 116.66 105.04 1fb1 n ARG 216 Ca 0.00 -0.65 0.00 0.00 -1.04 0.00 0.00 57.85 56.16 1fb1 n ARG 216 Cb 0.00 -0.78 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 1fb1 n ARG 216 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fb1 n GLY 217 N -2.00 0.70 0.00 2.89 0.00 -1.26 -4.21 105.19 101.32 1fb1 n GLY 217 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1fb1 n GLY 217 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fb1 n VAL 218 N 0.00 0.00 -0.14 1.61 0.24 -1.24 -5.06 118.33 113.74 1fb1 n VAL 218 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fb1 n VAL 218 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1fb1 n VAL 218 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fb1 n GLN 219 N 0.00 0.00 -1.52 7.34 -0.00 -1.16 -4.62 117.38 117.41 1fb1 n GLN 219 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 1fb1 n GLN 219 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.11 1fb1 n GLN 219 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1fb1 n LYS 220 N 0.00 0.36 -1.82 2.61 5.02 -1.25 -4.67 118.16 118.40 1fb1 n LYS 220 Ca 0.00 -0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.93 1fb1 n LYS 220 Cb 0.02 -2.26 0.13 0.00 -0.02 0.00 0.00 35.03 32.90 1fb1 n LYS 220 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1fb1 n MET 221 N 7.96 -0.51 0.00 1.97 0.00 -1.26 -3.43 117.12 121.85 1fb1 n MET 221 Ca 0.56 -1.89 0.00 0.00 -0.00 0.00 0.00 57.70 56.37 1fb1 n MET 221 Cb 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 33.22 32.66 1fb1 n MET 221 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1fb1 n ASN 222 N -3.31 0.00 -1.17 6.12 5.03 -1.26 -4.79 115.26 115.88 1fb1 n ASN 222 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1fb1 n ASN 222 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 1fb1 n ASN 222 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1fb1 n SER 223 N 1.28 0.00 -4.77 6.41 3.41 -1.26 -4.79 113.62 113.90 1fb1 n SER 223 Ca 0.00 -0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 1fb1 n SER 223 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1fb1 n SER 223 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1fb1 s LYS 224 N 0.17 4.40 -0.06 4.33 2.20 -1.26 -4.31 119.74 125.21 1fb1 s LYS 224 Ca 0.00 1.71 0.03 0.00 -0.36 0.00 0.00 55.97 57.35 1fb1 s LYS 224 Cb 0.00 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1fb1 s LYS 224 CO 0.00 0.02 -0.16 0.95 -0.36 0.00 0.00 175.35 175.80 1fb1 s THR 225 N -1.37 1.36 0.11 3.43 -4.23 0.13 -4.88 115.64 110.19 1fb1 s THR 225 Ca 0.51 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1fb1 s THR 225 Cb -0.28 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1fb1 s THR 225 CO 0.36 0.40 0.03 -0.69 -0.54 0.00 0.00 174.62 174.19 1fb1 s VAL 226 N 0.38 4.14 -0.20 2.29 1.01 -1.25 -1.59 120.40 125.18 1fb1 s VAL 226 Ca -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1fb1 s VAL 226 Cb -0.14 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1fb1 s VAL 226 CO 0.04 0.05 0.43 0.42 0.00 0.00 0.00 175.10 176.04 1fb1 s THR 227 N -1.46 -0.53 0.60 3.92 -4.23 -0.38 -4.98 115.64 108.57 1fb1 s THR 227 Ca 0.27 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1fb1 s THR 227 Cb -0.11 -0.67 0.09 0.00 1.34 0.00 0.00 72.50 73.14 1fb1 s THR 227 CO 0.20 0.06 0.82 -0.94 -0.54 0.00 0.00 174.62 174.22 1fb1 s SER 228 N 2.38 4.96 -0.32 3.99 1.04 -1.26 -2.58 113.70 121.91 1fb1 s SER 228 Ca -0.03 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 55.70 1fb1 s SER 228 Cb -0.11 0.02 0.22 0.00 0.10 0.00 0.00 66.02 66.24 1fb1 s SER 228 CO -0.13 -1.41 1.15 0.28 0.98 0.00 0.00 173.24 174.11 1fb1 s THR 229 N -2.77 -0.08 0.16 2.02 -1.32 -0.96 -4.89 115.64 107.80 1fb1 s THR 229 Ca 0.62 -0.07 -0.26 0.00 -1.21 0.00 0.00 61.69 60.77 1fb1 s THR 229 Cb -0.06 0.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.85 1fb1 s THR 229 CO 0.40 0.00 0.79 -0.04 -2.21 0.00 0.00 174.62 173.55 1fb1 s MET 230 N 1.05 4.58 0.11 7.08 1.00 -1.26 -3.51 119.30 128.35 1fb1 s MET 230 Ca 0.22 1.18 0.07 0.00 0.00 0.00 0.00 55.69 57.16 1fb1 s MET 230 Cb 0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 34.83 31.67 1fb1 s MET 230 CO -0.12 0.55 -0.18 -0.51 0.00 0.00 0.00 175.02 174.76 1fb1 s LEU 231 N -1.09 2.33 0.00 -0.03 1.43 0.26 -4.49 118.68 117.09 1fb1 s LEU 231 Ca 0.36 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1fb1 s LEU 231 Cb -0.23 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1fb1 s LEU 231 CO 0.26 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1fb1 n GLY 232 N 0.93 1.01 0.26 -3.19 0.00 -1.26 -1.59 105.19 101.34 1fb1 n GLY 232 Ca -0.18 -0.63 0.25 0.00 0.00 0.00 0.00 46.02 45.46 1fb1 n GLY 232 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fb1 n VAL 233 N 0.00 -0.34 -0.12 1.61 0.31 -1.01 0.13 118.33 118.90 1fb1 n VAL 233 Ca 0.00 1.65 0.06 0.00 -0.01 0.00 0.00 64.34 66.04 1fb1 n VAL 233 Cb 0.00 -2.67 0.38 0.00 -0.91 0.00 0.00 33.84 30.63 1fb1 n VAL 233 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1fb1 h PHE 234 N 0.00 0.68 0.00 3.52 -1.00 -1.76 0.93 116.94 119.32 1fb1 h PHE 234 Ca 0.68 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.47 1fb1 h PHE 234 Cb 1.78 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 41.12 1fb1 h PHE 234 CO -0.03 0.39 -0.06 -0.09 -1.61 0.00 0.00 178.31 176.91 1fb1 h ARG 235 N 0.70 0.00 0.00 1.51 2.43 0.96 -3.36 114.38 116.61 1fb1 h ARG 235 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1fb1 h ARG 235 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1fb1 h ARG 235 CO -0.07 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.10 1fb1 n GLU 236 N -4.71 0.00 -1.48 0.20 1.02 -0.39 -4.42 120.64 110.85 1fb1 n GLU 236 Ca -0.04 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.64 1fb1 n GLU 236 Cb 0.18 -0.27 -0.07 0.00 -0.02 0.00 0.00 31.44 31.25 1fb1 n GLU 236 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fb1 n ASP 237 N 0.00 2.00 0.00 1.62 2.03 0.30 -4.78 116.55 117.72 1fb1 n ASP 237 Ca 0.00 0.20 0.08 0.00 0.52 0.00 0.00 54.79 55.58 1fb1 n ASP 237 Cb 0.00 -1.30 0.35 0.00 -0.72 0.00 0.00 41.12 39.46 1fb1 n ASP 237 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1fb1 n PRO 238 N 8.43 0.08 -0.04 -0.67 -0.04 -1.26 -3.07 135.00 138.42 1fb1 n PRO 238 Ca 0.43 0.20 -0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1fb1 n PRO 238 Cb 0.28 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1fb1 n PRO 238 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1fb1 h LYS 239 N 0.00 -0.01 -1.04 0.54 1.79 -1.90 -3.03 116.57 112.93 1fb1 h LYS 239 Ca 0.00 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.74 1fb1 h LYS 239 Cb 0.23 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.79 1fb1 h LYS 239 CO 0.00 -0.01 0.67 1.79 -1.08 0.00 0.00 179.45 180.83 1fb1 h THR 240 N -0.81 0.53 -0.51 -0.16 1.35 -1.84 0.29 112.91 111.75 1fb1 h THR 240 Ca -0.00 -0.13 -0.06 0.00 -0.55 0.00 0.00 66.41 65.67 1fb1 h THR 240 Cb 0.01 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.53 1fb1 h THR 240 CO 0.00 0.07 0.08 -0.09 -0.25 0.00 0.00 175.52 175.33 1fb1 h ARG 241 N 0.37 0.85 -0.42 4.72 2.43 -1.66 -1.54 114.38 119.14 1fb1 h ARG 241 Ca 0.59 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1fb1 h ARG 241 Cb 1.53 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1fb1 h ARG 241 CO -0.27 0.84 -0.19 1.49 -1.51 0.00 0.00 179.97 180.33 1fb1 h GLU 242 N 0.73 0.86 0.00 0.20 4.81 -0.34 -2.49 114.58 118.35 1fb1 h GLU 242 Ca 0.16 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1fb1 h GLU 242 Cb 0.40 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1fb1 h GLU 242 CO 0.01 1.01 -0.28 1.49 -0.73 0.00 0.00 179.01 180.51 1fb1 h GLU 243 N 0.68 0.00 0.19 1.92 4.81 -1.17 -2.32 114.58 118.69 1fb1 h GLU 243 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1fb1 h GLU 243 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1fb1 h GLU 243 CO 0.06 0.28 -0.09 0.35 -0.73 0.00 0.00 179.01 178.87 1fb1 h PHE 244 N 0.00 -0.24 -0.08 0.92 3.57 -1.10 -2.75 116.94 117.26 1fb1 h PHE 244 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1fb1 h PHE 244 Cb 0.58 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1fb1 h PHE 244 CO 0.00 -0.15 0.92 1.28 -2.23 0.00 0.00 178.31 178.13 1fb1 n LEU 245 N -2.81 0.00 -0.07 0.59 4.77 -0.95 -0.50 117.00 118.03 1fb1 n LEU 245 Ca -0.03 0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 56.21 1fb1 n LEU 245 Cb 0.10 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 1fb1 n LEU 245 CO 0.08 -0.47 -1.05 0.35 -1.33 0.00 0.00 177.39 174.97 1fb1 n THR 246 N -2.37 1.63 0.39 -5.08 -2.24 -0.90 -4.06 114.28 101.65 1fb1 n THR 246 Ca 0.02 -0.56 0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1fb1 n THR 246 Cb 0.95 -1.64 0.43 0.00 -2.10 0.00 0.00 70.33 67.96 1fb1 n THR 246 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fb1 n LEU 247 N -3.51 0.44 -0.56 3.22 7.99 0.35 -1.92 117.00 123.00 1fb1 n LEU 247 Ca -0.39 0.62 0.14 0.00 -0.01 0.00 0.00 56.01 56.36 1fb1 n LEU 247 Cb 0.99 -0.57 0.43 0.00 -0.11 0.00 0.00 43.42 44.16 1fb1 n LEU 247 CO 0.32 -0.50 0.81 2.30 -1.51 0.00 0.00 177.39 178.81 1fb1 n ILE 248 N -1.99 0.00 -0.04 -0.08 -5.35 -1.01 -3.29 119.36 107.60 1fb1 n ILE 248 Ca 0.02 -0.29 -0.21 0.00 -0.27 0.00 0.00 62.75 62.00 1fb1 n ILE 248 Cb 0.19 0.70 -0.13 0.00 -1.74 0.00 0.00 39.64 38.65 1fb1 n ILE 248 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1fb1 n ARG 249 N 0.36 0.72 0.00 6.28 1.74 -0.81 -4.98 116.66 119.97 1fb1 n ARG 249 Ca 0.18 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.65 1fb1 n ARG 249 Cb 0.40 -1.66 0.61 0.00 -1.02 0.00 0.00 32.46 30.79 1fb1 n ARG 249 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98