#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 -0.78 -1.80 1.61 1.02 -1.26 -5.09 120.64 114.34 1fb1 n GLU 56 Ca 0.00 0.51 -0.01 0.00 -0.02 0.00 0.00 57.16 57.65 1fb1 n GLU 56 Cb 0.00 -0.95 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1fb1 n GLU 56 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fb1 n ARG 57 N -1.81 -1.03 -2.08 3.49 1.74 -1.26 -4.90 116.66 110.81 1fb1 n ARG 57 Ca 0.00 1.17 -0.28 0.00 -0.77 0.00 0.00 57.85 57.97 1fb1 n ARG 57 Cb 0.18 -2.12 -0.06 0.00 -1.02 0.00 0.00 32.46 29.44 1fb1 n ARG 57 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1fb1 s PRO 58 N -0.61 2.57 -0.06 5.56 0.02 -1.26 -4.90 135.00 136.31 1fb1 s PRO 58 Ca -0.03 -0.83 -0.12 0.00 0.02 0.00 0.00 61.00 60.04 1fb1 s PRO 58 Cb 0.00 -5.18 -0.05 0.00 0.02 0.00 0.00 34.50 29.29 1fb1 s PRO 58 CO 0.21 -3.68 0.35 2.89 -0.33 0.00 0.00 177.00 176.44 1fb1 n ARG 59 N 8.53 0.00 -1.11 5.54 1.85 -1.26 -4.57 116.66 125.64 1fb1 n ARG 59 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 1fb1 n ARG 59 Cb 0.47 -0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.47 1fb1 n ARG 59 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1fb1 n SER 60 N 0.70 0.60 -0.19 2.89 3.41 -1.26 -4.38 113.62 115.39 1fb1 n SER 60 Ca 0.07 -0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 57.70 1fb1 n SER 60 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1fb1 n SER 60 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1fb1 h GLU 61 N 0.00 -0.30 -0.20 4.33 4.39 -1.98 0.73 114.58 121.55 1fb1 h GLU 61 Ca 0.00 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1fb1 h GLU 61 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1fb1 h GLU 61 CO 0.00 -0.20 -0.24 1.49 -1.16 0.00 0.00 179.01 178.90 1fb1 h GLU 62 N -0.31 0.36 0.00 2.33 4.81 -1.97 0.31 114.58 120.12 1fb1 h GLU 62 Ca 0.11 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1fb1 h GLU 62 Cb 0.57 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1fb1 h GLU 62 CO -0.66 0.58 0.00 -0.44 -0.73 0.00 0.00 179.01 177.76 1fb1 h ASP 63 N 0.33 0.00 0.00 1.04 3.45 -1.36 -0.82 116.42 119.06 1fb1 h ASP 63 Ca 0.05 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 1fb1 h ASP 63 Cb 0.60 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1fb1 h ASP 63 CO 0.04 0.00 -0.67 0.78 -1.57 0.00 0.00 179.24 177.82 1fb1 h ASN 64 N 0.00 0.00 -0.00 6.45 2.35 0.20 -3.36 115.58 121.21 1fb1 h ASN 64 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1fb1 h ASN 64 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1fb1 h ASN 64 CO 0.00 1.07 0.13 -0.08 -1.65 0.00 0.00 177.43 176.90 1fb1 h GLU 65 N -1.00 0.00 0.00 0.81 4.81 -0.33 -1.51 114.58 117.36 1fb1 h GLU 65 Ca -0.15 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.88 1fb1 h GLU 65 Cb 0.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1fb1 h GLU 65 CO -0.09 0.00 -0.96 1.25 -0.73 0.00 0.00 179.01 178.49 1fb1 h LEU 66 N 0.00 0.01 0.00 1.64 5.85 -1.30 -3.35 115.31 118.16 1fb1 h LEU 66 Ca 0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1fb1 h LEU 66 Cb 0.26 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1fb1 h LEU 66 CO -0.00 0.96 -2.10 0.59 -0.34 0.00 0.00 178.44 177.55 1fb1 n ASN 67 N -3.41 0.13 -0.36 1.25 3.02 -0.78 -4.50 115.26 110.61 1fb1 n ASN 67 Ca -0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1fb1 n ASN 67 Cb 0.90 1.65 0.14 0.00 -0.61 0.00 0.00 39.78 41.86 1fb1 n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1fb1 n LEU 68 N -2.40 -0.37 0.21 3.41 7.94 -0.64 0.21 117.00 125.36 1fb1 n LEU 68 Ca -0.13 1.71 0.06 0.00 -1.11 0.00 0.00 56.01 56.54 1fb1 n LEU 68 Cb 0.75 -0.51 0.48 0.00 0.53 0.00 0.00 43.42 44.66 1fb1 n LEU 68 CO 0.44 -1.64 0.83 1.55 -1.11 0.00 0.00 177.39 177.46 1fb1 h PRO 69 N 0.00 0.00 -0.22 1.96 0.13 -1.79 0.19 132.00 132.27 1fb1 h PRO 69 Ca 0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.44 1fb1 h PRO 69 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1fb1 h PRO 69 CO -1.02 0.26 -0.49 -0.91 -0.23 0.00 0.00 178.00 175.61 1fb1 h ASN 70 N 0.00 0.80 0.38 1.44 4.21 0.22 -2.26 115.58 120.37 1fb1 h ASN 70 Ca -0.00 -0.56 -0.02 0.00 1.21 0.00 0.00 56.30 56.93 1fb1 h ASN 70 Cb 0.49 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1fb1 h ASN 70 CO 0.03 1.22 -0.18 -0.07 -1.29 0.00 0.00 177.43 177.14 1fb1 h LEU 71 N 0.43 -0.43 -0.99 1.61 3.38 0.58 -2.19 115.31 117.69 1fb1 h LEU 71 Ca 0.00 -0.10 0.32 0.00 0.09 0.00 0.00 57.88 58.19 1fb1 h LEU 71 Cb 1.10 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.78 1fb1 h LEU 71 CO 0.11 -0.13 0.23 0.00 0.09 0.00 0.00 178.44 178.73 1fb1 h ALA 72 N -0.23 1.54 0.20 1.53 0.00 -0.62 0.79 119.26 122.47 1fb1 h ALA 72 Ca -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1fb1 h ALA 72 Cb 0.51 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1fb1 h ALA 72 CO 0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 179.25 178.54 1fb1 h ALA 73 N 1.97 -0.27 -0.15 0.00 0.00 -1.15 -0.01 119.26 119.65 1fb1 h ALA 73 Ca 0.68 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1fb1 h ALA 73 Cb 1.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1fb1 h ALA 73 CO -0.85 -0.48 0.18 0.00 0.00 0.00 0.00 179.25 178.10 1fb1 h ALA 74 N 0.08 1.73 0.18 0.00 0.00 -0.29 0.31 119.26 121.26 1fb1 h ALA 74 Ca -0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1fb1 h ALA 74 Cb 0.45 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1fb1 h ALA 74 CO 0.05 -0.26 -1.68 1.88 0.00 0.00 0.00 179.25 179.24 1fb1 h TYR 75 N 0.00 0.67 -0.28 0.00 0.99 -0.94 -2.65 116.97 114.76 1fb1 h TYR 75 Ca 0.07 -0.49 0.03 0.00 2.00 0.00 0.00 58.73 60.34 1fb1 h TYR 75 Cb 0.43 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.12 1fb1 h TYR 75 CO 0.00 1.66 0.19 1.03 -0.00 0.00 0.00 178.16 181.04 1fb1 h SER 76 N 0.03 0.20 0.00 3.88 0.87 0.11 -2.01 113.55 116.63 1fb1 h SER 76 Ca -0.34 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1fb1 h SER 76 Cb 2.03 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1fb1 h SER 76 CO 0.16 0.14 0.00 -0.24 -0.53 0.00 0.00 176.83 176.36 1fb1 n SER 77 N -4.49 0.00 0.00 6.23 2.88 0.88 -3.24 113.62 115.88 1fb1 n SER 77 Ca 0.02 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1fb1 n SER 77 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1fb1 n SER 77 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1fb1 n ILE 78 N -0.38 0.00 -0.17 2.46 5.41 -1.00 0.22 119.36 125.90 1fb1 n ILE 78 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1fb1 n ILE 78 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.00 1fb1 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1fb1 h LEU 79 N 0.00 0.14 0.09 1.39 3.38 -1.46 0.88 115.31 119.74 1fb1 h LEU 79 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fb1 h LEU 79 Cb 0.00 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1fb1 h LEU 79 CO 0.00 0.10 -0.04 0.28 0.09 0.00 0.00 178.44 178.87 1fb1 h SER 80 N 0.33 -0.11 0.00 -0.43 0.02 0.27 -1.83 113.55 111.81 1fb1 h SER 80 Ca 0.26 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1fb1 h SER 80 Cb 0.30 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1fb1 h SER 80 CO -0.28 0.24 0.01 -1.20 -1.14 0.00 0.00 176.83 174.47 1fb1 n SER 81 N -4.99 0.07 0.01 3.07 7.64 -0.61 -1.43 113.62 117.39 1fb1 n SER 81 Ca -0.08 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.20 1fb1 n SER 81 Cb 0.21 -0.53 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 1fb1 n SER 81 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1fb1 h LEU 82 N 0.00 0.14 0.00 -3.43 3.38 0.16 -3.48 115.31 112.08 1fb1 h LEU 82 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fb1 h LEU 82 Cb 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1fb1 h LEU 82 CO 0.00 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1fb1 n GLY 83 N 1.60 1.27 1.10 0.83 0.00 -0.51 -5.08 105.19 104.39 1fb1 n GLY 83 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 0.33 -3.62 1.61 4.07 -0.98 -5.06 120.64 116.70 1fb1 n GLU 84 Ca 0.00 -0.75 -0.29 0.00 -0.06 0.00 0.00 57.16 56.06 1fb1 n GLU 84 Cb 0.00 -0.21 -0.14 0.00 -0.06 0.00 0.00 31.44 31.03 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 -2.17 3.68 0.00 4.31 2.47 -1.26 -4.64 114.94 117.33 1fb1 s ASN 85 Ca 0.19 -1.66 0.00 0.00 0.42 0.00 0.00 52.86 51.81 1fb1 s ASN 85 Cb -0.01 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.17 1fb1 s ASN 85 CO 0.13 -0.40 0.29 -2.65 -3.72 0.00 0.00 177.10 170.74 1fb1 n PRO 86 N 4.79 0.00 0.01 0.43 -0.02 -1.26 -1.73 135.00 137.21 1fb1 n PRO 86 Ca -0.01 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1fb1 n PRO 86 Cb 0.41 -1.44 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.76 0.13 -0.29 -0.52 -0.06 -1.26 -3.28 117.38 111.34 1fb1 n GLN 87 Ca 0.00 -0.01 -0.29 0.00 -2.00 0.00 0.00 57.00 54.70 1fb1 n GLN 87 Cb 0.00 -1.53 0.28 0.00 -4.06 0.00 0.00 30.24 24.93 1fb1 n GLN 87 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1fb1 n ARG 88 N -1.69 -4.36 0.09 3.69 1.74 -0.71 -4.77 116.66 110.64 1fb1 n ARG 88 Ca 0.03 -1.29 -0.15 0.00 -0.77 0.00 0.00 57.85 55.67 1fb1 n ARG 88 Cb 0.38 -1.92 -0.09 0.00 -1.02 0.00 0.00 32.46 29.80 1fb1 n ARG 88 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1fb1 h GLN 89 N -3.45 0.36 -0.17 5.56 4.15 -1.91 -2.98 115.11 116.66 1fb1 h GLN 89 Ca -0.42 -0.49 -0.06 0.00 0.77 0.00 0.00 58.65 58.45 1fb1 h GLN 89 Cb 1.29 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 1fb1 h GLN 89 CO 0.27 1.18 -0.14 0.78 -1.93 0.00 0.00 178.83 178.99 1fb1 h GLY 90 N 1.31 0.44 0.02 2.39 0.00 -1.95 -3.20 103.07 102.07 1fb1 h GLY 90 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1fb1 h GLY 90 CO 0.19 0.39 0.00 1.04 0.00 0.00 0.00 176.54 178.16 1fb1 n LEU 91 N -4.54 0.70 0.10 3.11 4.32 -1.26 -3.78 117.00 115.66 1fb1 n LEU 91 Ca -0.06 -0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 55.61 1fb1 n LEU 91 Cb 0.36 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1fb1 n LEU 91 CO 0.40 0.14 0.38 0.25 -1.22 0.00 0.00 177.39 177.34 1fb1 h LEU 92 N 0.95 -0.22 -1.28 2.23 5.85 -1.50 -3.29 115.31 118.04 1fb1 h LEU 92 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1fb1 h LEU 92 Cb 0.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1fb1 h LEU 92 CO 0.00 -0.12 0.00 0.29 -0.34 0.00 0.00 178.44 178.27 1fb1 n LYS 93 N -2.88 1.84 0.26 1.25 5.02 -1.25 -4.49 118.16 117.91 1fb1 n LYS 93 Ca -0.03 -0.88 -0.13 0.00 -2.02 0.00 0.00 58.31 55.24 1fb1 n LYS 93 Cb 0.10 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.27 0.28 0.00 -0.18 2.02 -1.65 -2.64 112.91 112.00 1fb1 h THR 94 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1fb1 h THR 94 Cb 0.61 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1fb1 h THR 94 CO 0.07 0.05 0.91 1.55 0.37 0.00 0.00 175.52 178.47 1fb1 h PRO 95 N -1.05 0.00 0.00 6.66 0.13 -1.81 1.03 132.00 136.97 1fb1 h PRO 95 Ca -0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.73 1fb1 h PRO 95 Cb 0.61 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 1fb1 h PRO 95 CO 0.12 0.00 -1.87 0.91 -0.23 0.00 0.00 178.00 176.93 1fb1 n TRP 96 N -2.34 0.47 -0.29 1.56 7.02 -1.20 -2.16 117.44 120.50 1fb1 n TRP 96 Ca -0.00 0.21 0.06 0.00 -1.02 0.00 0.00 57.50 56.74 1fb1 n TRP 96 Cb 0.91 -1.02 0.21 0.00 -2.42 0.00 0.00 31.31 28.99 1fb1 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fb1 h ARG 97 N -1.00 0.65 0.42 -0.99 3.08 0.98 0.87 114.38 118.39 1fb1 h ARG 97 Ca -0.50 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 1fb1 h ARG 97 Cb 1.42 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1fb1 h ARG 97 CO -0.30 0.43 -0.20 0.00 -1.07 0.00 0.00 179.97 178.82 1fb1 h ALA 98 N 1.53 -0.61 -0.81 0.04 0.00 0.49 0.11 119.26 120.01 1fb1 h ALA 98 Ca 0.44 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1fb1 h ALA 98 Cb 0.57 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 1fb1 h ALA 98 CO -0.33 -0.57 -0.37 0.00 0.00 0.00 0.00 179.25 177.98 1fb1 n ALA 99 N -2.66 -0.24 -0.19 0.00 0.00 -0.77 0.60 120.51 117.25 1fb1 n ALA 99 Ca -0.07 0.77 -0.08 0.00 0.00 0.00 0.00 53.44 54.05 1fb1 n ALA 99 Cb 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.41 1fb1 n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fb1 h SER 100 N 0.00 0.75 0.32 0.00 0.87 0.71 -2.70 113.55 113.50 1fb1 h SER 100 Ca 0.23 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1fb1 h SER 100 Cb 0.43 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1fb1 h SER 100 CO -0.79 0.74 -0.35 0.00 -0.53 0.00 0.00 176.83 175.90 1fb1 h ALA 101 N 1.04 -1.01 -1.04 6.23 0.00 0.29 -2.09 119.26 122.68 1fb1 h ALA 101 Ca 0.17 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.24 1fb1 h ALA 101 Cb 0.24 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1fb1 h ALA 101 CO -0.01 -1.04 0.72 1.98 0.00 0.00 0.00 179.25 180.90 1fb1 h MET 102 N -0.68 0.14 -0.27 0.00 -1.53 -0.93 0.70 114.93 112.37 1fb1 h MET 102 Ca -0.04 -0.01 -0.09 0.00 -3.44 0.00 0.00 59.70 56.12 1fb1 h MET 102 Cb 0.59 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 1fb1 h MET 102 CO -0.06 0.09 -0.23 1.96 0.14 0.00 0.00 176.91 178.82 1fb1 h GLN 103 N 0.15 0.51 0.52 0.39 4.20 -1.05 -3.05 115.11 116.77 1fb1 h GLN 103 Ca 0.53 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 1fb1 h GLN 103 Cb 1.80 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.55 1fb1 h GLN 103 CO -0.10 0.71 -0.25 0.35 -0.67 0.00 0.00 178.83 178.86 1fb1 h PHE 104 N 0.45 -0.65 0.00 2.96 3.57 0.98 -2.26 116.94 122.00 1fb1 h PHE 104 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1fb1 h PHE 104 Cb 0.65 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1fb1 h PHE 104 CO 0.02 -0.39 0.00 1.19 -2.23 0.00 0.00 178.31 176.91 1fb1 n PHE 105 N -5.38 0.00 -1.69 0.41 3.01 -1.07 -0.61 117.46 112.13 1fb1 n PHE 105 Ca -0.12 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.40 1fb1 n PHE 105 Cb 0.30 -0.44 0.16 0.00 -0.01 0.00 0.00 39.48 39.49 1fb1 n PHE 105 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1fb1 n THR 106 N -1.44 1.72 1.30 4.37 -2.24 -1.05 -2.60 114.28 114.33 1fb1 n THR 106 Ca 0.01 -2.62 0.03 0.00 -2.27 0.00 0.00 64.05 59.20 1fb1 n THR 106 Cb 0.04 -0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.85 1.49 0.00 -0.78 2.85 0.22 -3.43 118.16 117.65 1fb1 n LYS 107 Ca 0.16 -0.66 0.11 0.00 -1.05 0.00 0.00 58.31 56.86 1fb1 n LYS 107 Cb 0.76 -1.22 0.02 0.00 -0.65 0.00 0.00 35.03 33.94 1fb1 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fb1 n GLY 108 N 0.70 -0.45 0.26 2.58 0.00 -0.14 -4.15 105.19 103.98 1fb1 n GLY 108 Ca 0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1fb1 n GLY 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fb1 h TYR 109 N 1.36 1.09 0.00 1.61 0.99 -1.69 -2.98 116.97 117.34 1fb1 h TYR 109 Ca 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1fb1 h TYR 109 Cb 0.63 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.13 1fb1 h TYR 109 CO 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 178.16 179.31 1fb1 n GLN 110 N -4.05 0.87 -4.21 4.88 10.64 -1.26 -4.58 117.38 119.66 1fb1 n GLN 110 Ca -0.02 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.86 1fb1 n GLN 110 Cb 0.55 -1.05 -0.09 0.00 -0.86 0.00 0.00 30.24 28.79 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 -2.00 2.23 -0.08 2.61 2.02 -1.13 -4.82 118.70 117.53 1fb1 s GLU 111 Ca 0.04 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 54.03 1fb1 s GLU 111 Cb 0.02 -2.33 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 1fb1 s GLU 111 CO 0.03 0.49 -0.21 0.99 0.02 0.00 0.00 175.26 176.58 1fb1 s THR 112 N -1.40 1.81 0.40 3.63 2.01 -1.26 -5.02 115.64 115.81 1fb1 s THR 112 Ca 0.24 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.44 1fb1 s THR 112 Cb -0.11 -1.56 0.31 0.00 0.01 0.00 0.00 72.50 71.15 1fb1 s THR 112 CO 0.16 0.51 1.97 0.16 -0.69 0.00 0.00 174.62 176.72 1fb1 h ILE 113 N 5.57 0.96 0.00 1.82 3.07 -1.98 -1.31 117.51 125.63 1fb1 h ILE 113 Ca -0.25 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1fb1 h ILE 113 Cb 1.21 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 1fb1 h ILE 113 CO 0.47 0.10 0.00 -1.20 -1.05 0.00 0.00 178.15 176.48 1fb1 n SER 114 N -4.48 0.00 -0.18 2.16 7.64 -1.26 -0.08 113.62 117.42 1fb1 n SER 114 Ca 0.10 0.87 -0.04 0.00 1.01 0.00 0.00 58.87 60.81 1fb1 n SER 114 Cb 0.30 -0.37 0.16 0.00 -1.01 0.00 0.00 64.21 63.29 1fb1 n SER 114 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1fb1 h ASP 115 N 0.00 0.87 -0.38 6.43 2.03 -2.00 -1.85 116.42 121.52 1fb1 h ASP 115 Ca 0.00 -0.15 0.10 0.00 -0.73 0.00 0.00 57.03 56.26 1fb1 h ASP 115 Cb 0.00 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.26 1fb1 h ASP 115 CO 0.00 0.82 0.27 0.58 -1.03 0.00 0.00 179.24 179.88 1fb1 h VAL 116 N 0.91 0.83 -0.36 4.15 2.07 -0.98 -3.41 116.25 119.45 1fb1 h VAL 116 Ca 0.20 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1fb1 h VAL 116 Cb 0.27 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1fb1 h VAL 116 CO -0.01 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1fb1 n LEU 117 N -4.43 0.00 0.00 2.57 4.32 0.88 -5.00 117.00 115.34 1fb1 n LEU 117 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1fb1 n LEU 117 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1fb1 n LEU 117 CO 0.36 -0.52 0.00 -3.20 -1.22 0.00 0.00 177.39 172.81 1fb1 n ASN 118 N -0.44 0.00 -1.23 -1.43 5.15 -1.26 -4.96 115.26 111.09 1fb1 n ASN 118 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1fb1 n ASN 118 Cb 0.00 0.19 0.01 0.00 -0.53 0.00 0.00 39.78 39.45 1fb1 n ASN 118 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1fb1 n ASP 119 N -1.60 -3.31 -4.37 1.20 10.43 -1.26 -4.82 116.55 112.81 1fb1 n ASP 119 Ca 0.00 -0.07 -0.46 0.00 2.57 0.00 0.00 54.79 56.83 1fb1 n ASP 119 Cb 0.00 -2.40 -0.02 0.00 1.84 0.00 0.00 41.12 40.54 1fb1 n ASP 119 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1fb1 s ALA 120 N -2.63 3.84 0.30 2.24 0.00 -1.26 -3.63 121.76 120.62 1fb1 s ALA 120 Ca 0.07 -3.12 -0.30 0.00 0.00 0.00 0.00 51.96 48.61 1fb1 s ALA 120 Cb -0.03 -3.70 -0.12 0.00 0.00 0.00 0.00 23.12 19.27 1fb1 s ALA 120 CO 0.08 -2.52 1.48 -0.89 0.00 0.00 0.00 175.76 173.92 1fb1 n ILE 121 N 4.50 1.32 -1.53 0.00 -0.00 -1.21 -4.79 119.36 117.65 1fb1 n ILE 121 Ca 0.17 -0.33 -0.36 0.00 -0.00 0.00 0.00 62.75 62.23 1fb1 n ILE 121 Cb 0.48 -1.78 -0.03 0.00 -0.00 0.00 0.00 39.64 38.30 1fb1 n ILE 121 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1fb1 n PHE 122 N 1.53 2.23 0.24 1.39 7.35 -1.26 -1.53 117.46 127.41 1fb1 n PHE 122 Ca 0.07 -2.80 -0.10 0.00 -0.76 0.00 0.00 57.45 53.87 1fb1 n PHE 122 Cb 0.36 -2.13 -0.05 0.00 0.35 0.00 0.00 39.48 38.02 1fb1 n PHE 122 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1fb1 h ASP 123 N 4.57 -0.53 0.00 -2.13 3.58 -1.86 -3.46 116.42 116.59 1fb1 h ASP 123 Ca 0.73 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.20 1fb1 h ASP 123 Cb 0.42 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1fb1 h ASP 123 CO 1.49 -0.36 0.00 1.21 -2.88 0.00 0.00 179.24 178.70 1fb1 n GLU 124 N -3.74 0.00 0.00 0.28 2.13 -1.00 -4.72 120.64 113.59 1fb1 n GLU 124 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1fb1 n GLU 124 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 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 3.32 0.00 0.09 4.31 4.64 -1.26 -2.87 116.55 124.78 1fb1 n ASP 125 Ca 0.00 -0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.04 1fb1 n ASP 125 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 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 1.72 -1.28 -1.10 -0.67 -0.00 -1.26 -5.01 115.22 107.61 1fb1 n HIS 126 Ca 0.00 0.23 -0.06 0.00 0.46 0.00 0.00 57.72 58.35 1fb1 n HIS 126 Cb 0.00 0.33 -0.02 0.00 -0.12 0.00 0.00 29.99 30.18 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 -3.38 -1.59 -4.09 0.26 5.68 -1.12 -4.89 116.55 107.42 1fb1 n ASP 127 Ca 0.00 0.14 -0.33 0.00 -0.50 0.00 0.00 54.79 54.10 1fb1 n ASP 127 Cb 0.03 -1.72 -0.14 0.00 -1.14 0.00 0.00 41.12 38.15 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 -2.35 2.11 0.00 0.11 0.41 -1.26 -4.74 118.70 112.98 1fb1 s GLU 128 Ca 0.00 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.07 1fb1 s GLU 128 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1fb1 s GLU 128 CO 0.00 -0.71 0.00 -0.12 -0.49 0.00 0.00 175.26 173.94 1fb1 n MET 129 N 4.46 0.00 -4.39 1.61 0.00 -1.25 -4.82 117.12 112.74 1fb1 n MET 129 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.27 1fb1 n MET 129 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.55 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 0.00 4.24 -0.03 1.12 1.01 -0.50 -4.95 120.40 121.29 1fb1 s VAL 130 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1fb1 s VAL 130 Cb 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1fb1 s VAL 130 CO 0.00 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 1fb1 s ILE 131 N -0.77 0.08 -0.24 2.22 1.01 -1.26 -1.72 121.20 120.51 1fb1 s ILE 131 Ca 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1fb1 s ILE 131 Cb -0.11 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.17 1fb1 s ILE 131 CO 0.02 0.15 -0.08 -0.69 0.00 0.00 0.00 174.94 174.34 1fb1 s VAL 132 N 1.34 2.68 0.20 2.92 1.01 -0.29 -5.01 120.40 123.26 1fb1 s VAL 132 Ca -0.05 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1fb1 s VAL 132 Cb -0.13 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1fb1 s VAL 132 CO -0.03 0.19 0.14 2.29 0.00 0.00 0.00 175.10 177.70 1fb1 n LYS 133 N 4.63 1.21 -2.21 2.72 2.85 -1.26 -1.72 118.16 124.37 1fb1 n LYS 133 Ca -0.16 -1.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.81 1fb1 n LYS 133 Cb 0.46 0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 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 -1.90 -0.82 -4.61 -5.58 8.00 -1.25 -4.84 116.55 105.53 1fb1 n ASP 134 Ca -0.01 0.41 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1fb1 n ASP 134 Cb 0.23 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -1.78 3.64 0.41 0.53 1.01 -0.92 -4.84 121.20 119.24 1fb1 s ILE 135 Ca 0.00 0.69 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1fb1 s ILE 135 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1fb1 s ILE 135 CO 0.00 -0.40 1.35 -1.81 0.00 0.00 0.00 174.94 174.08 1fb1 s ASP 136 N 4.89 6.23 0.06 3.58 1.01 -1.26 -0.62 116.67 130.55 1fb1 s ASP 136 Ca 0.73 2.75 0.03 0.00 0.71 0.00 0.00 52.55 56.77 1fb1 s ASP 136 Cb -0.22 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.03 1fb1 s ASP 136 CO 0.31 -0.92 -0.09 -0.32 0.21 0.00 0.00 175.17 174.37 1fb1 s MET 137 N -2.26 0.65 -0.12 8.23 -2.45 0.19 -4.84 119.30 118.70 1fb1 s MET 137 Ca 0.57 -0.92 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1fb1 s MET 137 Cb -0.40 -0.39 0.06 0.00 1.25 0.00 0.00 34.83 35.35 1fb1 s MET 137 CO 0.52 0.06 0.24 -0.59 1.05 0.00 0.00 175.02 176.30 1fb1 s PHE 138 N -1.81 -0.35 0.30 4.11 -0.12 -1.26 -2.40 117.98 116.44 1fb1 s PHE 138 Ca -0.04 0.86 0.04 0.00 -0.05 0.00 0.00 56.93 57.75 1fb1 s PHE 138 Cb -0.07 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1fb1 s PHE 138 CO -0.00 -0.32 0.21 0.45 -0.05 0.00 0.00 175.22 175.51 1fb1 s SER 139 N 2.23 1.42 -0.16 1.98 0.15 -0.66 -4.31 113.70 114.35 1fb1 s SER 139 Ca 0.00 -1.63 -0.01 0.00 0.70 0.00 0.00 55.95 55.01 1fb1 s SER 139 Cb -0.12 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1fb1 s SER 139 CO -0.08 -0.97 -0.12 -0.04 1.20 0.00 0.00 173.24 173.23 1fb1 s MET 140 N -3.70 3.32 0.11 5.44 -1.94 -1.24 -1.30 119.30 119.99 1fb1 s MET 140 Ca 0.38 -0.69 -0.31 0.00 -1.71 0.00 0.00 55.69 53.35 1fb1 s MET 140 Cb 0.04 -2.71 -0.08 0.00 2.01 0.00 0.00 34.83 34.08 1fb1 s MET 140 CO 0.21 0.05 1.44 0.00 -0.01 0.00 0.00 175.02 176.71 1fb1 n GLU 142 N 4.14 1.06 -0.10 0.00 0.28 -0.27 -1.49 120.64 124.26 1fb1 n GLU 142 Ca 0.12 -0.17 -0.21 0.00 -0.16 0.00 0.00 57.16 56.74 1fb1 n GLU 142 Cb 0.41 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.67 1fb1 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1fb1 n HIS 143 N -0.82 0.33 0.11 -1.84 8.25 -1.26 -4.63 115.22 115.36 1fb1 n HIS 143 Ca 0.22 0.09 0.01 0.00 -0.26 0.00 0.00 57.72 57.78 1fb1 n HIS 143 Cb 0.17 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.22 1fb1 n HIS 143 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fb1 n HIS 144 N -3.59 0.00 -3.16 4.41 8.25 -1.26 -5.02 115.22 114.85 1fb1 n HIS 144 Ca -0.44 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 56.88 1fb1 n HIS 144 Cb 0.96 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.90 -3.34 -4.24 2.41 4.77 -0.55 -5.03 117.00 110.12 1fb1 n LEU 145 Ca 0.01 -0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 1fb1 n LEU 145 Cb 0.04 -2.43 -0.17 0.00 -2.33 0.00 0.00 43.42 38.54 1fb1 n LEU 145 CO 0.04 0.36 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.23 1fb1 s VAL 146 N -3.26 2.21 0.56 4.08 1.01 -1.25 -4.84 120.40 118.92 1fb1 s VAL 146 Ca 0.16 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1fb1 s VAL 146 Cb -0.07 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 1fb1 s VAL 146 CO 0.54 0.55 0.34 -2.65 0.00 0.00 0.00 175.10 173.88 1fb1 n PRO 147 N 3.59 0.36 -3.74 2.72 -0.02 -1.26 -2.51 135.00 134.13 1fb1 n PRO 147 Ca -0.19 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.30 1fb1 n PRO 147 Cb 0.53 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.81 -0.17 0.06 6.00 -0.12 -0.42 -2.28 117.98 119.25 1fb1 s PHE 148 Ca 0.65 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 58.08 1fb1 s PHE 148 Cb -0.45 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 1fb1 s PHE 148 CO 0.58 -0.17 -0.14 0.08 -0.05 0.00 0.00 175.22 175.52 1fb1 s VAL 149 N 1.20 1.08 0.00 -2.49 1.01 -0.62 -1.65 120.40 118.94 1fb1 s VAL 149 Ca -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1fb1 s VAL 149 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1fb1 s VAL 149 CO -0.06 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1fb1 n GLY 150 N 1.39 1.21 3.21 4.51 0.00 -1.01 0.10 105.19 114.60 1fb1 n GLY 150 Ca -0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 3.16 0.94 -0.01 1.61 1.02 0.30 -0.64 119.74 126.12 1fb1 s LYS 151 Ca 0.00 -1.35 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1fb1 s LYS 151 Cb 0.00 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1fb1 s LYS 151 CO 0.00 0.05 -0.15 0.08 -0.92 0.00 0.00 175.35 174.41 1fb1 s VAL 152 N -3.22 1.17 0.13 3.17 1.01 0.21 -0.98 120.40 121.88 1fb1 s VAL 152 Ca 0.13 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1fb1 s VAL 152 Cb 0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1fb1 s VAL 152 CO -0.01 0.33 -0.27 -1.00 0.00 0.00 0.00 175.10 174.15 1fb1 s HIS 153 N -0.34 2.31 -0.12 5.22 0.09 0.98 -2.17 115.29 121.25 1fb1 s HIS 153 Ca 0.06 -0.38 -0.12 0.00 -0.00 0.00 0.00 55.06 54.62 1fb1 s HIS 153 Cb -0.06 -1.26 0.03 0.00 -0.00 0.00 0.00 32.58 31.30 1fb1 s HIS 153 CO -0.01 0.33 0.34 0.42 -0.00 0.00 0.00 174.74 175.83 1fb1 s ILE 154 N -1.05 0.00 0.00 0.60 1.01 -0.70 -1.38 121.20 119.68 1fb1 s ILE 154 Ca 0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1fb1 s ILE 154 Cb -0.10 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1fb1 s ILE 154 CO 0.06 -0.01 0.26 -0.83 0.00 0.00 0.00 174.94 174.42 1fb1 s GLY 155 N 0.11 -0.09 0.37 6.18 0.00 -0.80 -1.13 107.32 111.95 1fb1 s GLY 155 Ca -0.01 0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.77 1fb1 s GLY 155 CO 0.01 -0.05 0.64 1.58 0.00 0.00 0.00 173.10 175.27 1fb1 n TYR 156 N 1.17 -1.92 -3.85 1.90 -0.00 -0.70 -1.55 117.16 112.21 1fb1 n TYR 156 Ca -0.21 -2.05 -0.30 0.00 -0.00 0.00 0.00 57.90 55.34 1fb1 n TYR 156 Cb 0.57 0.74 -0.14 0.00 -0.00 0.00 0.00 39.34 40.51 1fb1 n TYR 156 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1fb1 s LEU 157 N 0.00 3.68 0.04 -3.48 1.43 -0.94 -1.40 118.68 118.01 1fb1 s LEU 157 Ca 0.22 -2.90 -0.38 0.00 -1.03 0.00 0.00 54.13 50.03 1fb1 s LEU 157 Cb -0.03 -1.40 -0.18 0.00 0.03 0.00 0.00 46.19 44.61 1fb1 s LEU 157 CO 0.16 -0.24 1.21 -2.65 0.23 0.00 0.00 176.35 175.06 1fb1 n PRO 158 N 3.23 0.58 0.00 1.29 -0.02 -1.26 -2.27 135.00 136.54 1fb1 n PRO 158 Ca 0.07 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1fb1 n PRO 158 Cb 0.33 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.02 0.00 -0.01 2.55 5.15 -1.26 -2.78 115.26 120.94 1fb1 n ASN 159 Ca 0.19 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.19 1fb1 n ASN 159 Cb 0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 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 -0.41 5.43 -4.63 1.20 5.02 -1.26 -4.23 118.16 119.27 1fb1 n LYS 160 Ca 0.00 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 1fb1 n LYS 160 Cb 0.00 -0.71 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 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 -1.36 1.30 -0.28 1.97 1.11 -1.26 -2.37 119.66 118.76 1fb1 s GLN 161 Ca 0.02 -0.81 -0.03 0.00 0.01 0.00 0.00 55.36 54.55 1fb1 s GLN 161 Cb 0.03 -1.34 0.09 0.00 -1.01 0.00 0.00 33.01 30.78 1fb1 s GLN 161 CO 0.17 0.35 0.10 0.08 0.01 0.00 0.00 175.29 176.00 1fb1 s VAL 162 N -0.70 0.41 0.33 1.09 1.01 -0.58 -4.64 120.40 117.32 1fb1 s VAL 162 Ca 0.06 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1fb1 s VAL 162 Cb -0.08 -1.24 -0.13 0.00 0.00 0.00 0.00 36.38 34.93 1fb1 s VAL 162 CO 0.01 -0.60 1.26 -0.11 0.00 0.00 0.00 175.10 175.65 1fb1 n LEU 163 N 5.06 3.29 -4.66 3.92 7.94 -1.26 -3.30 117.00 127.99 1fb1 n LEU 163 Ca -0.05 1.20 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 1fb1 n LEU 163 Cb 0.43 -1.45 -0.01 0.00 0.53 0.00 0.00 43.42 42.92 1fb1 n LEU 163 CO 0.09 -0.61 0.77 0.61 -1.11 0.00 0.00 177.39 177.13 1fb1 n GLY 164 N 0.89 0.24 0.35 -3.96 0.00 -1.24 -4.89 105.19 96.59 1fb1 n GLY 164 Ca 0.06 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 2.24 -1.08 -0.91 0.99 4.07 -1.91 -2.37 115.31 116.33 1fb1 h LEU 165 Ca -0.44 0.10 0.26 0.00 0.08 0.00 0.00 57.88 57.88 1fb1 h LEU 165 Cb 1.31 0.38 -0.15 0.00 1.08 0.00 0.00 40.66 43.28 1fb1 h LEU 165 CO 0.61 -0.43 0.23 0.28 -1.08 0.00 0.00 178.44 178.05 1fb1 h SER 166 N -0.62 -0.04 -0.98 -0.43 0.02 -2.00 0.34 113.55 109.85 1fb1 h SER 166 Ca -0.02 0.22 0.23 0.00 -0.84 0.00 0.00 61.79 61.37 1fb1 h SER 166 Cb 0.58 0.30 -0.12 0.00 0.14 0.00 0.00 62.40 63.30 1fb1 h SER 166 CO -0.14 -0.22 0.55 0.11 -1.14 0.00 0.00 176.83 176.00 1fb1 h LYS 167 N 0.16 0.57 -0.79 3.45 1.79 -1.78 0.43 116.57 120.40 1fb1 h LYS 167 Ca 0.59 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.14 1fb1 h LYS 167 Cb 1.25 -0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 31.70 1fb1 h LYS 167 CO -0.71 0.38 0.41 -0.07 -1.08 0.00 0.00 179.45 178.37 1fb1 h LEU 168 N 0.58 0.54 -0.95 2.94 3.38 -0.91 0.07 115.31 120.97 1fb1 h LEU 168 Ca 0.61 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.56 1fb1 h LEU 168 Cb 1.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1fb1 h LEU 168 CO -0.46 0.28 -0.39 0.00 0.09 0.00 0.00 178.44 177.96 1fb1 h ALA 169 N 1.48 1.01 -0.36 1.53 0.00 -1.02 -2.62 119.26 119.28 1fb1 h ALA 169 Ca 0.40 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1fb1 h ALA 169 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1fb1 h ALA 169 CO -0.29 0.49 -0.39 -0.09 0.00 0.00 0.00 179.25 178.96 1fb1 h ARG 170 N 0.00 0.88 0.03 0.00 9.65 -0.68 -1.49 114.38 122.77 1fb1 h ARG 170 Ca -0.00 -0.46 -0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1fb1 h ARG 170 Cb 0.90 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1fb1 h ARG 170 CO 0.05 1.11 -0.01 0.82 2.80 0.00 0.00 179.97 184.73 1fb1 h ILE 171 N 0.72 0.99 -0.40 1.20 2.04 -0.91 -1.24 117.51 119.92 1fb1 h ILE 171 Ca 0.06 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1fb1 h ILE 171 Cb 0.97 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1fb1 h ILE 171 CO 0.09 0.02 0.28 0.58 0.00 0.00 0.00 178.15 179.12 1fb1 h VAL 172 N -0.07 0.83 0.00 1.67 2.07 -1.32 -1.98 116.25 117.46 1fb1 h VAL 172 Ca -0.00 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 1fb1 h VAL 172 Cb 0.06 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1fb1 h VAL 172 CO 0.01 0.01 -0.63 -0.08 0.02 0.00 0.00 177.57 176.90 1fb1 h GLU 173 N 0.07 0.00 -0.09 1.57 4.81 -0.17 -3.10 114.58 117.67 1fb1 h GLU 173 Ca 0.19 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1fb1 h GLU 173 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1fb1 h GLU 173 CO -0.01 0.63 -0.66 0.82 -0.73 0.00 0.00 179.01 179.06 1fb1 h ILE 174 N 0.00 1.38 0.00 2.32 2.04 -0.56 -3.19 117.51 119.49 1fb1 h ILE 174 Ca -0.01 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 1fb1 h ILE 174 Cb 1.47 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1fb1 h ILE 174 CO 0.08 0.61 -0.71 1.88 0.00 0.00 0.00 178.15 180.02 1fb1 h TYR 175 N 0.26 0.00 0.03 1.37 -1.99 -1.65 -3.37 116.97 111.62 1fb1 h TYR 175 Ca -0.02 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.44 1fb1 h TYR 175 Cb 1.20 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.90 1fb1 h TYR 175 CO 0.04 0.06 -1.52 0.66 -0.00 0.00 0.00 178.16 177.40 1fb1 h SER 176 N 0.00 0.10 0.00 3.88 4.64 -1.61 -3.37 113.55 117.18 1fb1 h SER 176 Ca -0.01 -0.16 -0.38 0.00 -0.47 0.00 0.00 61.79 60.77 1fb1 h SER 176 Cb 1.06 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1fb1 h SER 176 CO 0.01 1.13 1.66 0.54 -0.87 0.00 0.00 176.83 179.30 1fb1 n ARG 177 N -3.22 2.50 -3.57 4.77 3.00 -1.21 -4.05 116.66 114.89 1fb1 n ARG 177 Ca -0.13 -1.44 -0.11 0.00 -0.01 0.00 0.00 57.85 56.16 1fb1 n ARG 177 Cb 1.02 -2.32 -0.04 0.00 0.00 0.00 0.00 32.46 31.12 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 1.92 1.13 -0.17 5.56 0.52 -1.07 -0.97 118.95 125.86 1fb1 s ARG 178 Ca 0.60 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1fb1 s ARG 178 Cb 0.22 0.51 -0.04 0.00 0.52 0.00 0.00 34.95 36.15 1fb1 s ARG 178 CO -0.03 -0.46 1.67 -0.51 0.02 0.00 0.00 175.30 176.00 1fb1 s LEU 179 N -2.79 3.98 0.00 2.53 1.43 -1.26 -3.73 118.68 118.84 1fb1 s LEU 179 Ca 0.02 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1fb1 s LEU 179 Cb 0.01 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1fb1 s LEU 179 CO -0.12 -1.22 0.06 0.00 0.23 0.00 0.00 176.35 175.30 1fb1 n GLN 180 N 7.60 0.84 -3.71 1.70 1.13 0.00 -4.80 117.38 120.15 1fb1 n GLN 180 Ca 0.19 -1.54 -0.14 0.00 -1.94 0.00 0.00 57.00 53.58 1fb1 n GLN 180 Cb 0.44 0.80 -0.14 0.00 0.11 0.00 0.00 30.24 31.45 1fb1 n GLN 180 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1fb1 s VAL 181 N -2.18 -0.17 0.28 5.09 1.01 -1.26 -1.12 120.40 122.05 1fb1 s VAL 181 Ca 0.08 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1fb1 s VAL 181 Cb 0.00 -0.36 0.28 0.00 0.00 0.00 0.00 36.38 36.31 1fb1 s VAL 181 CO 0.06 0.09 1.69 -0.61 0.00 0.00 0.00 175.10 176.33 1fb1 h GLN 182 N 7.67 0.36 0.16 2.72 4.15 -1.98 -1.36 115.11 126.82 1fb1 h GLN 182 Ca -0.30 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.11 1fb1 h GLN 182 Cb 1.14 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 1fb1 h GLN 182 CO 0.29 0.24 -0.43 0.93 -1.93 0.00 0.00 178.83 177.92 1fb1 h GLU 183 N 0.37 -0.66 0.24 1.69 3.07 -1.97 -1.30 114.58 116.01 1fb1 h GLU 183 Ca 0.53 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1fb1 h GLU 183 Cb 1.00 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1fb1 h GLU 183 CO -0.53 -0.44 -0.19 -0.09 -1.40 0.00 0.00 179.01 176.36 1fb1 h ARG 184 N -0.69 -0.42 -1.05 2.33 2.43 -1.81 -2.31 114.38 112.87 1fb1 h ARG 184 Ca 0.01 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.49 1fb1 h ARG 184 Cb 0.70 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.26 1fb1 h ARG 184 CO -0.22 -0.28 0.70 1.25 -1.51 0.00 0.00 179.97 179.91 1fb1 h LEU 185 N -0.43 0.34 0.10 3.80 6.46 -1.15 0.59 115.31 125.01 1fb1 h LEU 185 Ca -0.01 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1fb1 h LEU 185 Cb 0.39 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1fb1 h LEU 185 CO -0.01 0.07 -0.05 0.74 -0.62 0.00 0.00 178.44 178.57 1fb1 h THR 186 N 0.30 1.12 -0.15 1.05 2.02 -0.70 -3.16 112.91 113.39 1fb1 h THR 186 Ca 0.57 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1fb1 h THR 186 Cb 1.65 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 1fb1 h THR 186 CO -0.22 0.23 0.04 0.50 0.37 0.00 0.00 175.52 176.44 1fb1 h LYS 187 N -0.59 0.11 -0.42 6.66 3.64 -0.67 -2.93 116.57 122.37 1fb1 h LYS 187 Ca -0.01 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1fb1 h LYS 187 Cb 0.48 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 1fb1 h LYS 187 CO 0.02 0.07 -0.14 1.96 -2.27 0.00 0.00 179.45 179.09 1fb1 h GLN 188 N 0.11 -0.05 0.20 1.90 4.20 -1.05 0.81 115.11 121.24 1fb1 h GLN 188 Ca 0.06 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1fb1 h GLN 188 Cb 0.04 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1fb1 h GLN 188 CO -0.07 -0.03 -0.53 0.82 -0.67 0.00 0.00 178.83 178.35 1fb1 h ILE 189 N -0.05 0.00 -1.01 2.54 2.04 -1.50 -0.37 117.51 119.16 1fb1 h ILE 189 Ca 0.20 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.31 1fb1 h ILE 189 Cb 0.36 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.35 1fb1 h ILE 189 CO -0.46 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.34 1fb1 h ALA 190 N -0.61 2.18 0.39 1.87 0.00 -1.19 -2.01 119.26 119.88 1fb1 h ALA 190 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1fb1 h ALA 190 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fb1 h ALA 190 CO -0.24 -0.56 -0.19 0.28 0.00 0.00 0.00 179.25 178.54 1fb1 h VAL 191 N 0.43 0.00 -1.57 0.00 2.07 0.06 -2.19 116.25 115.05 1fb1 h VAL 191 Ca 0.56 -0.29 0.50 0.00 0.82 0.00 0.00 66.70 68.30 1fb1 h VAL 191 Cb 1.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 1fb1 h VAL 191 CO -0.27 0.00 1.06 0.00 0.02 0.00 0.00 177.57 178.38 1fb1 h ALA 192 N -1.47 3.17 0.12 1.67 0.00 -0.58 1.33 119.26 123.50 1fb1 h ALA 192 Ca -0.05 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1fb1 h ALA 192 Cb 0.40 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1fb1 h ALA 192 CO 0.09 -1.81 -0.89 0.82 0.00 0.00 0.00 179.25 177.46 1fb1 h ILE 193 N 0.02 1.44 0.34 0.00 2.04 -1.34 -0.66 117.51 119.35 1fb1 h ILE 193 Ca 0.88 -2.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 1fb1 h ILE 193 Cb 3.09 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 42.14 1fb1 h ILE 193 CO -0.30 0.71 -0.39 0.74 0.00 0.00 0.00 178.15 178.91 1fb1 h THR 194 N -0.18 0.21 0.00 -0.27 2.02 0.21 -1.42 112.91 113.48 1fb1 h THR 194 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1fb1 h THR 194 Cb 1.66 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1fb1 h THR 194 CO 0.17 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.71 1fb1 h GLU 195 N -0.77 -0.02 0.00 6.66 5.08 -0.34 0.84 114.58 126.03 1fb1 h GLU 195 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fb1 h GLU 195 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1fb1 h GLU 195 CO -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 1fb1 n ALA 196 N -2.51 1.57 -0.26 3.43 0.00 -0.25 -2.84 120.51 119.64 1fb1 n ALA 196 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1fb1 n ALA 196 Cb 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.92 0.00 -3.76 0.00 4.77 -0.54 -4.99 117.00 111.55 1fb1 n LEU 197 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 1fb1 n LEU 197 Cb 0.01 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1fb1 n LEU 197 CO 0.01 0.00 -0.10 0.54 -1.33 0.00 0.00 177.39 176.51 1fb1 n ARG 198 N 0.00 -0.65 -2.76 3.23 1.74 0.29 -4.68 116.66 113.82 1fb1 n ARG 198 Ca 0.00 -0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 56.80 1fb1 n ARG 198 Cb 0.06 -0.92 0.04 0.00 -1.02 0.00 0.00 32.46 30.62 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 -5.72 2.46 0.28 5.56 0.04 -1.26 -4.75 135.00 131.61 1fb1 s PRO 199 Ca 0.21 -1.03 -0.00 0.00 0.04 0.00 0.00 61.00 60.21 1fb1 s PRO 199 Cb -0.12 -2.55 0.40 0.00 0.04 0.00 0.00 34.50 32.28 1fb1 s PRO 199 CO 0.51 -0.73 1.79 0.00 0.04 0.00 0.00 177.00 178.62 1fb1 h ALA 200 N 0.13 1.18 -1.61 8.56 0.00 -1.77 -3.46 119.26 122.30 1fb1 h ALA 200 Ca -0.39 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.33 1fb1 h ALA 200 Cb 1.29 -0.18 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 1fb1 h ALA 200 CO 0.47 0.54 0.46 0.20 0.00 0.00 0.00 179.25 180.92 1fb1 s GLY 201 N -3.75 -0.18 0.15 0.00 0.00 -1.26 -2.54 107.32 99.75 1fb1 s GLY 201 Ca -0.09 2.58 0.10 0.00 0.00 0.00 0.00 44.72 47.31 1fb1 s GLY 201 CO 0.80 1.74 -0.22 0.14 0.00 0.00 0.00 173.10 175.55 1fb1 s VAL 202 N 0.07 2.03 -0.29 1.40 1.01 -0.88 -2.20 120.40 121.53 1fb1 s VAL 202 Ca 0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1fb1 s VAL 202 Cb -0.04 -1.88 0.17 0.00 0.00 0.00 0.00 36.38 34.63 1fb1 s VAL 202 CO -0.05 -0.12 0.55 -0.83 0.00 0.00 0.00 175.10 174.65 1fb1 s GLY 203 N -2.36 -0.85 -0.11 4.51 0.00 -0.60 0.04 107.32 107.97 1fb1 s GLY 203 Ca 0.14 1.64 0.01 0.00 0.00 0.00 0.00 44.72 46.51 1fb1 s GLY 203 CO 0.07 3.19 -0.12 0.14 0.00 0.00 0.00 173.10 176.38 1fb1 s VAL 204 N 2.78 3.17 -0.09 1.40 1.01 -0.76 -1.90 120.40 126.02 1fb1 s VAL 204 Ca 0.18 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1fb1 s VAL 204 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1fb1 s VAL 204 CO -0.20 0.55 -0.05 0.54 0.00 0.00 0.00 175.10 175.94 1fb1 s VAL 205 N -0.03 0.75 -0.12 2.92 0.11 -0.48 -1.94 120.40 121.61 1fb1 s VAL 205 Ca -0.03 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1fb1 s VAL 205 Cb -0.14 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1fb1 s VAL 205 CO 0.04 0.31 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.35 1fb1 s VAL 206 N 1.60 3.53 -0.07 2.04 1.01 -0.78 -0.01 120.40 127.72 1fb1 s VAL 206 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1fb1 s VAL 206 Cb -0.13 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1fb1 s VAL 206 CO -0.05 0.53 -0.06 -1.83 0.00 0.00 0.00 175.10 173.70 1fb1 s GLU 207 N 0.02 1.09 -0.05 2.72 -1.05 -0.15 -0.88 118.70 120.39 1fb1 s GLU 207 Ca -0.02 -0.15 -0.21 0.00 -0.15 0.00 0.00 54.97 54.44 1fb1 s GLU 207 Cb -0.14 -1.11 0.04 0.00 -0.44 0.00 0.00 34.13 32.48 1fb1 s GLU 207 CO 0.03 -0.14 0.47 0.00 0.95 0.00 0.00 175.26 176.58 1fb1 s ALA 208 N 1.21 -1.22 -0.13 -0.84 0.00 -1.25 0.11 121.76 119.65 1fb1 s ALA 208 Ca -0.06 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 1fb1 s ALA 208 Cb -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1fb1 s ALA 208 CO -0.02 -0.30 0.29 0.95 0.00 0.00 0.00 175.76 176.68 1fb1 s THR 209 N -1.06 5.29 0.01 0.00 -4.23 0.29 -3.43 115.64 112.51 1fb1 s THR 209 Ca -0.11 0.54 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 1fb1 s THR 209 Cb -0.03 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.15 1fb1 s THR 209 CO 0.06 0.46 0.40 -1.00 -0.54 0.00 0.00 174.62 174.00 1fb1 s HIS 210 N -0.03 3.71 -0.37 3.99 3.76 -1.26 -1.59 115.29 123.49 1fb1 s HIS 210 Ca 0.17 0.96 0.23 0.00 -0.15 0.00 0.00 55.06 56.28 1fb1 s HIS 210 Cb -0.13 -2.27 0.14 0.00 1.11 0.00 0.00 32.58 31.43 1fb1 s HIS 210 CO 0.05 0.63 1.19 1.98 -0.85 0.00 0.00 174.74 177.75 1fb1 h MET 211 N 4.57 0.00 -0.10 1.40 4.05 -1.73 -2.82 114.93 120.30 1fb1 h MET 211 Ca -0.51 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1fb1 h MET 211 Cb 1.22 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1fb1 h MET 211 CO 0.62 0.00 0.05 0.00 0.23 0.00 0.00 176.91 177.81 1fb1 n MET 213 N -4.95 0.00 -0.10 0.00 2.00 -1.25 -3.45 117.12 109.37 1fb1 n MET 213 Ca -0.05 0.08 0.09 0.00 0.00 0.00 0.00 57.70 57.82 1fb1 n MET 213 Cb 0.09 -0.88 0.13 0.00 0.00 0.00 0.00 33.22 32.56 1fb1 n MET 213 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fb1 n VAL 214 N -0.75 0.00 0.00 2.03 0.31 -1.06 -3.15 118.33 115.71 1fb1 n VAL 214 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1fb1 n VAL 214 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1fb1 n VAL 214 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1fb1 n MET 215 N -2.11 0.00 -0.17 5.55 2.81 -1.00 -4.04 117.12 118.17 1fb1 n MET 215 Ca 0.07 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.75 1fb1 n MET 215 Cb 0.36 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.08 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 -3.97 0.00 0.03 1.85 -1.19 -2.59 116.66 110.79 1fb1 n ARG 216 Ca 0.00 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.82 1fb1 n ARG 216 Cb 0.00 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 1fb1 n ARG 216 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1fb1 n GLY 217 N -4.05 0.60 2.62 2.89 0.00 -1.26 -3.42 105.19 102.57 1fb1 n GLY 217 Ca 0.10 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.27 -0.22 1.61 0.24 -1.26 -5.07 118.33 113.35 1fb1 n VAL 218 Ca 0.00 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1fb1 n VAL 218 Cb 0.00 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 2.20 0.00 -3.44 7.34 10.64 -1.07 -4.76 117.38 128.30 1fb1 n GLN 219 Ca 0.17 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.90 1fb1 n GLN 219 Cb 0.57 -0.26 -0.07 0.00 -0.86 0.00 0.00 30.24 29.62 1fb1 n GLN 219 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1fb1 s LYS 220 N 0.64 2.79 0.80 2.61 1.02 -1.26 -4.91 119.74 121.43 1fb1 s LYS 220 Ca 0.00 -1.60 -0.10 0.00 0.02 0.00 0.00 55.97 54.28 1fb1 s LYS 220 Cb 0.00 -4.08 0.18 0.00 -0.52 0.00 0.00 37.83 33.41 1fb1 s LYS 220 CO 0.00 -1.17 1.10 -0.12 -0.92 0.00 0.00 175.35 174.24 1fb1 n MET 221 N 5.10 -0.81 0.00 1.68 1.56 -1.26 -3.47 117.12 119.91 1fb1 n MET 221 Ca -0.11 -2.02 0.00 0.00 -0.27 0.00 0.00 57.70 55.29 1fb1 n MET 221 Cb 0.41 -1.03 0.00 0.00 2.15 0.00 0.00 33.22 34.76 1fb1 n MET 221 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1fb1 n ASN 222 N -3.50 0.00 -4.08 6.12 5.03 -1.26 -4.85 115.26 112.72 1fb1 n ASN 222 Ca 0.15 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.29 1fb1 n ASN 222 Cb 0.52 -0.14 -0.10 0.00 -1.02 0.00 0.00 39.78 39.04 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 0.23 1.62 -4.61 6.41 3.41 -1.25 -4.86 113.62 114.57 1fb1 n SER 223 Ca 0.00 -2.55 -0.41 0.00 -0.26 0.00 0.00 58.87 55.65 1fb1 n SER 223 Cb 0.00 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 62.66 1fb1 n SER 223 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1fb1 s LYS 224 N 7.25 3.99 -0.30 4.33 1.02 -1.26 -4.25 119.74 130.52 1fb1 s LYS 224 Ca 0.72 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.98 1fb1 s LYS 224 Cb 0.05 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1fb1 s LYS 224 CO 0.23 -0.49 0.19 0.95 -0.92 0.00 0.00 175.35 175.31 1fb1 s THR 225 N 2.52 5.09 -0.11 2.17 -4.23 -1.22 -4.98 115.64 114.88 1fb1 s THR 225 Ca 0.25 -0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.59 1fb1 s THR 225 Cb -0.15 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 1fb1 s THR 225 CO 0.10 0.16 0.21 -0.69 -0.54 0.00 0.00 174.62 173.86 1fb1 s VAL 226 N 1.71 5.38 -0.16 2.29 1.01 -1.26 -3.87 120.40 125.50 1fb1 s VAL 226 Ca 0.06 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1fb1 s VAL 226 Cb -0.16 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1fb1 s VAL 226 CO 0.09 0.56 -0.03 0.42 0.00 0.00 0.00 175.10 176.14 1fb1 s THR 227 N -0.65 0.94 0.56 3.92 -4.23 -0.06 -5.01 115.64 111.11 1fb1 s THR 227 Ca 0.16 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1fb1 s THR 227 Cb -0.13 -1.16 0.05 0.00 1.34 0.00 0.00 72.50 72.60 1fb1 s THR 227 CO 0.05 0.09 0.77 -0.94 -0.54 0.00 0.00 174.62 174.05 1fb1 s SER 228 N 1.70 5.17 -0.30 3.99 1.04 -1.26 -1.86 113.70 122.18 1fb1 s SER 228 Ca 0.01 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 1fb1 s SER 228 Cb -0.15 -0.53 0.18 0.00 0.10 0.00 0.00 66.02 65.62 1fb1 s SER 228 CO -0.07 -1.22 1.00 0.28 0.98 0.00 0.00 173.24 174.21 1fb1 s THR 229 N -2.73 -0.36 0.12 2.02 -1.32 -0.82 -4.94 115.64 107.61 1fb1 s THR 229 Ca 0.59 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.09 1fb1 s THR 229 Cb -0.09 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1fb1 s THR 229 CO 0.38 0.00 0.22 -0.04 -2.21 0.00 0.00 174.62 172.98 1fb1 s MET 230 N 2.94 3.32 0.00 7.08 1.00 -1.26 -1.83 119.30 130.55 1fb1 s MET 230 Ca 0.18 -0.60 -0.03 0.00 0.00 0.00 0.00 55.69 55.24 1fb1 s MET 230 Cb -0.05 -2.92 -0.01 0.00 0.00 0.00 0.00 34.83 31.85 1fb1 s MET 230 CO -0.20 0.55 0.05 -0.51 0.00 0.00 0.00 175.02 174.91 1fb1 s LEU 231 N -2.93 1.88 0.00 -0.03 1.43 0.11 -4.57 118.68 114.57 1fb1 s LEU 231 Ca 0.34 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1fb1 s LEU 231 Cb -0.12 0.31 0.00 0.00 0.03 0.00 0.00 46.19 46.42 1fb1 s LEU 231 CO 0.27 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1fb1 n GLY 232 N 1.99 3.71 0.38 -3.19 0.00 -1.26 -2.07 105.19 104.74 1fb1 n GLY 232 Ca -0.20 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1fb1 n GLY 232 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fb1 h VAL 233 N 0.00 0.71 -0.54 1.61 2.07 -1.84 0.46 116.25 118.71 1fb1 h VAL 233 Ca 0.00 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1fb1 h VAL 233 Cb 0.00 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1fb1 h VAL 233 CO 0.00 0.11 0.09 -0.26 0.02 0.00 0.00 177.57 177.53 1fb1 h PHE 234 N 0.62 0.95 0.25 1.57 -1.00 -1.60 1.23 116.94 118.97 1fb1 h PHE 234 Ca 0.53 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 61.16 1fb1 h PHE 234 Cb 0.99 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.29 1fb1 h PHE 234 CO -0.00 0.85 -0.12 -0.09 -1.61 0.00 0.00 178.31 177.34 1fb1 h ARG 235 N 0.78 -0.32 0.00 1.51 2.43 -0.62 -3.40 114.38 114.77 1fb1 h ARG 235 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1fb1 h ARG 235 Cb 0.41 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1fb1 h ARG 235 CO 0.01 -0.03 -0.00 0.93 -1.51 0.00 0.00 179.97 179.36 1fb1 h GLU 236 N -0.60 0.00 -6.23 0.20 5.08 -0.18 -3.43 114.58 109.42 1fb1 h GLU 236 Ca -0.03 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 1fb1 h GLU 236 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1fb1 h GLU 236 CO 0.06 0.00 1.29 0.34 -1.00 0.00 0.00 179.01 179.70 1fb1 s ASP 237 N -3.26 5.83 0.27 1.42 -1.08 0.42 -4.81 116.67 115.47 1fb1 s ASP 237 Ca -0.00 1.29 0.24 0.00 -0.52 0.00 0.00 52.55 53.56 1fb1 s ASP 237 Cb 0.00 -2.52 0.33 0.00 -1.46 0.00 0.00 42.92 39.26 1fb1 s ASP 237 CO 0.00 -1.76 1.43 1.55 0.52 0.00 0.00 175.17 176.90 1fb1 h PRO 238 N 13.15 0.00 0.00 4.34 0.13 -1.80 -2.34 132.00 145.48 1fb1 h PRO 238 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1fb1 h PRO 238 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1fb1 h PRO 238 CO 1.04 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.44 1fb1 n LYS 239 N -2.65 0.00 -0.09 0.86 4.76 -1.26 0.17 118.16 119.95 1fb1 n LYS 239 Ca 0.03 0.05 -0.21 0.00 -2.87 0.00 0.00 58.31 55.31 1fb1 n LYS 239 Cb 0.50 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.07 1fb1 n LYS 239 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1fb1 n THR 240 N -1.50 1.58 -0.11 -0.18 -1.04 -1.14 -3.55 114.28 108.33 1fb1 n THR 240 Ca 0.06 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.05 61.44 1fb1 n THR 240 Cb 0.30 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 1fb1 n THR 240 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1fb1 h ARG 241 N -0.21 0.53 0.00 -2.82 2.43 -1.10 -2.00 114.38 111.21 1fb1 h ARG 241 Ca -0.54 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.47 1fb1 h ARG 241 Cb 1.85 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1fb1 h ARG 241 CO -0.11 0.63 -0.05 1.49 -1.51 0.00 0.00 179.97 180.42 1fb1 h GLU 242 N 0.36 0.00 0.23 0.20 4.81 0.15 -2.29 114.58 118.04 1fb1 h GLU 242 Ca 0.10 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.99 1fb1 h GLU 242 Cb 0.36 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.77 1fb1 h GLU 242 CO 0.01 0.05 -1.49 1.49 -0.73 0.00 0.00 179.01 178.34 1fb1 h GLU 243 N 0.00 0.49 0.85 1.92 4.81 -1.54 -3.17 114.58 117.94 1fb1 h GLU 243 Ca -0.00 -0.84 -0.04 0.00 -0.13 0.00 0.00 59.36 58.35 1fb1 h GLU 243 Cb 0.18 0.31 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1fb1 h GLU 243 CO 0.01 1.40 -0.43 0.35 -0.73 0.00 0.00 179.01 179.61 1fb1 h PHE 244 N 0.13 -1.12 -0.92 0.92 3.57 -0.82 -2.64 116.94 116.06 1fb1 h PHE 244 Ca -0.25 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.34 1fb1 h PHE 244 Cb 2.14 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 41.19 1fb1 h PHE 244 CO 0.12 -0.68 0.59 -0.07 -2.23 0.00 0.00 178.31 176.04 1fb1 h LEU 245 N -1.17 0.80 0.00 0.59 3.38 -1.61 0.22 115.31 117.52 1fb1 h LEU 245 Ca -0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fb1 h LEU 245 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1fb1 h LEU 245 CO 0.18 0.45 0.00 0.35 0.09 0.00 0.00 178.44 179.51 1fb1 n THR 246 N -4.55 0.00 -0.03 0.22 -2.24 -1.16 -2.99 114.28 103.52 1fb1 n THR 246 Ca 0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1fb1 n THR 246 Cb 0.35 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1fb1 n THR 246 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1fb1 n LEU 247 N -0.93 0.00 -1.99 3.22 7.94 0.62 -4.50 117.00 121.35 1fb1 n LEU 247 Ca 0.18 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1fb1 n LEU 247 Cb 0.08 0.14 -0.13 0.00 0.53 0.00 0.00 43.42 44.04 1fb1 n LEU 247 CO 0.14 0.14 1.41 2.30 -1.11 0.00 0.00 177.39 180.26 1fb1 n ILE 248 N -2.15 2.53 0.00 1.96 -5.35 -0.35 -3.14 119.36 112.86 1fb1 n ILE 248 Ca -0.10 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 1fb1 n ILE 248 Cb 0.60 -1.87 0.00 0.00 -1.74 0.00 0.00 39.64 36.63 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 2.42 0.00 0.00 6.28 1.74 -1.26 -5.03 116.66 120.81 1fb1 n ARG 249 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1fb1 n ARG 249 Cb 0.76 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 1fb1 n ARG 249 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98