#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkb h ASN 40 N 0.00 0.58 -0.95 -3.46 -0.00 -2.05 0.14 115.58 109.85 3kkb h ASN 40 Ca 0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 56.30 56.28 3kkb h ASN 40 Cb 0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 38.32 38.12 3kkb h ASN 40 CO 0.00 0.47 0.62 0.00 -0.00 0.00 0.00 177.43 178.52 3kkb h ALA 41 N 1.13 1.41 -0.10 1.57 0.00 -2.06 0.48 119.26 121.70 3kkb h ALA 41 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kkb h ALA 41 Cb -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3kkb h ALA 41 CO -0.03 0.49 -0.00 0.37 0.00 0.00 0.00 179.25 180.07 3kkb h GLN 42 N 1.17 0.18 -0.40 0.00 -0.00 -1.77 -2.19 115.11 112.11 3kkb h GLN 42 Ca 0.38 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.86 3kkb h GLN 42 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 3kkb h GLN 42 CO -0.13 0.45 -0.20 1.05 0.00 0.00 0.00 178.83 180.00 3kkb h GLU 43 N -0.10 0.77 -0.26 1.69 4.11 -0.81 -2.95 114.58 117.02 3kkb h GLU 43 Ca 0.03 -0.30 0.06 0.00 0.07 0.00 0.00 59.36 59.23 3kkb h GLU 43 Cb 0.36 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3kkb h GLU 43 CO 0.01 0.91 -0.23 1.96 0.07 0.00 0.00 179.01 181.72 3kkb h GLN 44 N 0.68 -0.22 -1.60 1.06 1.08 -0.80 0.14 115.11 115.45 3kkb h GLN 44 Ca 0.10 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3kkb h GLN 44 Cb 0.70 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 3kkb h GLN 44 CO 0.05 -0.15 0.00 2.89 -0.95 0.00 0.00 178.83 180.68 3kkb n ARG 45 N -5.37 0.47 0.00 1.46 1.85 -0.83 -0.84 116.66 113.40 3kkb n ARG 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kkb n ARG 45 Cb 0.29 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3kkb n ARG 45 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3kkb n SER 47 N 0.93 0.00 -0.25 2.89 2.88 0.48 -1.78 113.62 118.77 3kkb n SER 47 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3kkb n SER 47 Cb 0.24 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.77 3kkb n SER 47 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3kkb h HIS 48 N 0.00 0.82 -0.25 0.66 6.17 -1.22 -0.67 115.15 120.66 3kkb h HIS 48 Ca 0.00 0.02 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 3kkb h HIS 48 Cb 0.00 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.66 3kkb h HIS 48 CO 0.00 0.47 -0.59 0.45 0.71 0.00 0.00 177.93 178.97 3kkb h HIS 49 N 0.86 1.05 -0.54 5.26 3.86 -1.63 -1.79 115.15 122.22 3kkb h HIS 49 Ca 0.28 -0.39 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 3kkb h HIS 49 Cb 0.01 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3kkb h HIS 49 CO -0.04 1.21 0.17 1.88 0.86 0.00 0.00 177.93 182.01 3kkb h TYR 50 N 0.62 0.83 -0.55 2.45 0.05 -1.80 -0.10 116.97 118.47 3kkb h TYR 50 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3kkb h TYR 50 Cb 1.20 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 3kkb h TYR 50 CO 0.07 0.67 0.25 0.00 -1.05 0.00 0.00 178.16 178.10 3kkb h ALA 51 N 1.39 0.71 -0.50 3.88 0.00 -0.96 -0.85 119.26 122.93 3kkb h ALA 51 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kkb h ALA 51 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kkb h ALA 51 CO -0.01 0.30 0.17 1.15 0.00 0.00 0.00 179.25 180.86 3kkb h THR 52 N 0.75 1.22 -0.60 0.00 2.02 -0.78 -0.68 112.91 114.83 3kkb h THR 52 Ca 0.19 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3kkb h THR 52 Cb 0.15 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3kkb h THR 52 CO -0.02 0.27 0.38 0.40 0.37 0.00 0.00 175.52 176.92 3kkb h ILE 53 N 0.67 1.11 -0.14 3.11 1.08 -0.88 -1.14 117.51 121.33 3kkb h ILE 53 Ca 0.16 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3kkb h ILE 53 Cb 0.24 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 3kkb h ILE 53 CO -0.01 0.14 0.00 -0.08 -0.69 0.00 0.00 178.15 177.51 3kkb h GLU 54 N 0.77 0.24 -0.53 2.37 4.57 -0.82 0.07 114.58 121.25 3kkb h GLU 54 Ca 0.23 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3kkb h GLU 54 Cb -0.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3kkb h GLU 54 CO -0.08 0.47 0.07 0.28 -1.18 0.00 0.00 179.01 178.57 3kkb h VAL 55 N -0.02 1.25 -0.30 0.32 2.07 -1.06 -1.40 116.25 117.11 3kkb h VAL 55 Ca 0.04 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3kkb h VAL 55 Cb 0.36 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3kkb h VAL 55 CO 0.01 0.35 -0.18 0.77 0.02 0.00 0.00 177.57 178.54 3kkb h SER 56 N 0.77 0.53 -0.78 0.57 4.64 -1.20 -1.66 113.55 116.42 3kkb h SER 56 Ca 0.16 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3kkb h SER 56 Cb 0.43 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3kkb h SER 56 CO 0.01 0.73 0.29 -0.61 -0.87 0.00 0.00 176.83 176.38 3kkb h GLN 57 N 0.49 1.18 -0.10 4.77 5.75 -0.66 -0.52 115.11 126.02 3kkb h GLN 57 Ca 0.08 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 3kkb h GLN 57 Cb 0.59 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 3kkb h GLN 57 CO 0.04 0.97 0.05 1.96 -2.65 0.00 0.00 178.83 179.20 3kkb h GLN 58 N 1.14 0.14 -0.87 1.69 4.20 -0.81 -1.31 115.11 119.29 3kkb h GLN 58 Ca 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3kkb h GLN 58 Cb 0.25 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3kkb h GLN 58 CO -0.02 0.19 0.48 -0.07 -0.67 0.00 0.00 178.83 178.75 3kkb h LEU 59 N 0.05 1.07 -0.67 1.46 3.38 -1.17 -0.57 115.31 118.88 3kkb h LEU 59 Ca 0.03 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kkb h LEU 59 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kkb h LEU 59 CO -0.01 0.86 0.44 0.03 0.09 0.00 0.00 178.44 179.85 3kkb h ARG 60 N 1.20 0.88 -0.69 1.13 3.08 -0.89 -0.22 114.38 118.87 3kkb h ARG 60 Ca 0.31 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 3kkb h ARG 60 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3kkb h ARG 60 CO -0.05 0.58 0.14 0.37 -1.07 0.00 0.00 179.97 179.94 3kkb h GLN 61 N 0.90 1.12 -0.20 0.04 4.15 -0.78 -2.01 115.11 118.35 3kkb h GLN 61 Ca 0.24 -0.28 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 3kkb h GLN 61 Cb -0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3kkb h GLN 61 CO -0.05 1.01 -0.49 -0.07 -1.93 0.00 0.00 178.83 177.29 3kkb h LEU 62 N 1.05 0.57 -0.53 -2.39 3.38 -0.77 0.92 115.31 117.55 3kkb h LEU 62 Ca 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kkb h LEU 62 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kkb h LEU 62 CO 0.01 0.97 0.26 0.25 0.09 0.00 0.00 178.44 180.02 3kkb h LEU 63 N 0.42 0.68 -0.79 1.67 5.85 -0.97 -2.12 115.31 120.03 3kkb h LEU 63 Ca 0.02 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3kkb h LEU 63 Cb 1.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3kkb h LEU 63 CO 0.09 0.61 0.13 1.23 -0.34 0.00 0.00 178.44 180.16 3kkb h GLY 64 N 0.70 1.12 0.32 3.75 0.00 -0.91 -2.07 103.07 106.00 3kkb h GLY 64 Ca 0.18 -0.71 0.10 0.00 0.00 0.00 0.00 47.33 46.91 3kkb h GLY 64 CO -0.02 0.66 0.22 -0.55 0.00 0.00 0.00 176.54 176.84 3kkb h ASP 65 N 0.99 0.19 -0.58 0.19 3.32 -0.58 -0.11 116.42 119.85 3kkb h ASP 65 Ca 0.20 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 3kkb h ASP 65 Cb 0.38 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3kkb h ASP 65 CO 0.01 0.11 0.18 1.56 -1.72 0.00 0.00 179.24 179.38 3kkb h GLN 66 N 0.39 0.90 -0.37 3.56 4.20 -0.91 -2.19 115.11 120.69 3kkb h GLN 66 Ca 0.32 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3kkb h GLN 66 Cb 0.42 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3kkb h GLN 66 CO -0.33 0.81 0.13 1.25 -0.67 0.00 0.00 178.83 180.02 3kkb h LEU 67 N 0.81 0.52 -0.64 1.46 6.46 -0.92 -1.54 115.31 121.46 3kkb h LEU 67 Ca 0.19 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 3kkb h LEU 67 Cb 0.28 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 3kkb h LEU 67 CO -0.01 0.56 0.30 0.58 -0.62 0.00 0.00 178.44 179.25 3kkb h VAL 68 N 0.44 0.85 -0.39 1.05 2.07 -0.90 -0.51 116.25 118.87 3kkb h VAL 68 Ca 0.12 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kkb h VAL 68 Cb 0.21 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3kkb h VAL 68 CO -0.01 0.10 0.20 0.40 0.02 0.00 0.00 177.57 178.28 3kkb h ILE 69 N 0.53 1.16 0.00 4.57 2.04 -1.22 -2.93 117.51 121.66 3kkb h ILE 69 Ca 0.31 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3kkb h ILE 69 Cb 0.32 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3kkb h ILE 69 CO -0.26 0.17 -0.16 -0.07 0.00 0.00 0.00 178.15 177.83 3kkb h LEU 70 N 0.49 0.00 -0.03 1.44 3.38 -0.58 -2.79 115.31 117.21 3kkb h LEU 70 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kkb h LEU 70 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kkb h LEU 70 CO -0.02 0.16 0.00 -0.07 0.09 0.00 0.00 178.44 178.61 3kkb h LEU 71 N 0.00 0.00-10.19 1.67 3.38 -0.92 -3.27 115.31 105.98 3kkb h LEU 71 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3kkb h LEU 71 Cb 0.61 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.50 3kkb h LEU 71 CO 0.02 0.00 0.37 -0.13 0.09 0.00 0.00 178.44 178.80 3kkb s ARG 72 N -3.12 2.23 0.23 1.13 1.81 -1.05 -4.39 118.95 115.79 3kkb s ARG 72 Ca 0.10 1.64 -0.06 0.00 -1.72 0.00 0.00 55.73 55.69 3kkb s ARG 72 Cb 0.11 -1.86 0.34 0.00 -0.45 0.00 0.00 34.95 33.10 3kkb s ARG 72 CO 0.60 -1.74 1.81 1.49 -0.68 0.00 0.00 175.30 176.78 3kkb h GLU 73 N -0.34 0.73 -3.26 3.54 4.81 -1.89 -3.30 114.58 114.86 3kkb h GLU 73 Ca -0.47 -0.04 -0.62 0.00 -0.13 0.00 0.00 59.36 58.10 3kkb h GLU 73 Cb 1.28 -0.16 -0.40 0.00 0.63 0.00 0.00 28.75 30.09 3kkb h GLU 73 CO 0.50 0.48 -0.72 0.99 -0.73 0.00 0.00 179.01 179.54 3kkb s THR 74 N -6.06 1.59 0.23 0.32 2.01 -1.26 -4.94 115.64 107.54 3kkb s THR 74 Ca -0.13 -2.50 -0.32 0.00 0.31 0.00 0.00 61.69 59.06 3kkb s THR 74 Cb 0.18 -2.13 -0.12 0.00 0.01 0.00 0.00 72.50 70.44 3kkb s THR 74 CO 0.77 -0.83 1.64 -2.65 -0.69 0.00 0.00 174.62 172.87 3kkb n PRO 75 N 3.72 2.62 -2.63 4.92 -0.02 -1.25 -4.91 135.00 137.45 3kkb n PRO 75 Ca 0.06 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 3kkb n PRO 75 Cb 0.36 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 3kkb n PRO 75 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kkb s ASP 76 N 0.86 6.42 0.34 2.55 2.15 -1.26 -4.90 116.67 122.82 3kkb s ASP 76 Ca 0.72 0.00 0.02 0.00 0.43 0.00 0.00 52.55 53.72 3kkb s ASP 76 Cb -0.54 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.17 3kkb s ASP 76 CO 0.39 -1.44 1.97 1.23 -0.17 0.00 0.00 175.17 177.15 3kkb h GLY 77 N 11.78 1.04 0.95 2.66 0.00 -1.98 -0.47 103.07 117.05 3kkb h GLY 77 Ca -0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 3kkb h GLY 77 CO 1.17 0.31 0.09 -1.61 0.00 0.00 0.00 176.54 176.50 3kkb h GLN 78 N 0.90 0.23 -0.81 4.80 4.15 -2.00 -0.67 115.11 121.71 3kkb h GLN 78 Ca 0.30 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3kkb h GLN 78 Cb 0.07 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 3kkb h GLN 78 CO -0.09 0.22 0.38 0.00 -1.93 0.00 0.00 178.83 177.41 3kkb h ALA 79 N 1.00 1.14 -0.24 3.38 0.00 -1.75 -2.24 119.26 120.54 3kkb h ALA 79 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kkb h ALA 79 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kkb h ALA 79 CO -0.01 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.12 3kkb h LEU 80 N 1.16 0.43 -1.17 0.00 5.85 -0.86 -1.64 115.31 119.09 3kkb h LEU 80 Ca 0.28 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3kkb h LEU 80 Cb 0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kkb h LEU 80 CO -0.03 0.66 -0.16 1.05 -0.34 0.00 0.00 178.44 179.62 3kkb h GLU 81 N 0.20 0.39 -0.67 1.25 -0.00 -1.03 0.17 114.58 114.89 3kkb h GLU 81 Ca 0.07 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.36 59.27 3kkb h GLU 81 Cb 0.45 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 29.13 3kkb h GLU 81 CO 0.02 0.55 0.23 0.00 -0.00 0.00 0.00 179.01 179.80 3kkb h ARG 82 N 0.36 1.02 -0.40 1.06 3.08 -1.24 -0.59 114.38 117.66 3kkb h ARG 82 Ca 0.07 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3kkb h ARG 82 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kkb h ARG 82 CO 0.03 0.87 -0.31 1.03 -1.07 0.00 0.00 179.97 180.52 3kkb h SER 83 N 0.96 0.94 -0.98 7.04 0.87 -0.75 -0.52 113.55 121.10 3kkb h SER 83 Ca 0.22 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3kkb h SER 83 Cb 0.26 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3kkb h SER 83 CO -0.01 1.17 0.64 1.56 -0.53 0.00 0.00 176.83 179.66 3kkb h GLN 84 N 0.75 1.30 -0.43 2.24 4.20 -0.82 -1.77 115.11 120.58 3kkb h GLN 84 Ca 0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3kkb h GLN 84 Cb 0.88 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3kkb h GLN 84 CO 0.08 0.87 0.15 -0.97 -0.67 0.00 0.00 178.83 178.29 3kkb h ASN 85 N 1.34 0.61 -0.29 1.46 -0.73 -0.75 -2.25 115.58 114.97 3kkb h ASN 85 Ca 0.36 -0.19 0.05 0.00 1.87 0.00 0.00 56.30 58.40 3kkb h ASN 85 Cb -0.14 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.24 3kkb h ASN 85 CO -0.08 0.63 -0.03 0.44 -0.37 0.00 0.00 177.43 178.03 3kkb h ASP 86 N 0.55 -0.18 -0.37 1.15 3.32 -0.67 -0.79 116.42 119.43 3kkb h ASP 86 Ca 0.14 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kkb h ASP 86 Cb 0.23 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3kkb h ASP 86 CO -0.01 -0.06 0.23 0.15 -1.72 0.00 0.00 179.24 177.83 3kkb h PHE 87 N 0.05 0.48 -0.37 4.55 3.57 -1.23 -1.55 116.94 122.44 3kkb h PHE 87 Ca 0.14 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3kkb h PHE 87 Cb 0.20 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3kkb h PHE 87 CO -0.24 0.33 0.17 -0.09 -2.23 0.00 0.00 178.31 176.25 3kkb h ARG 88 N 0.48 0.34 -0.44 1.11 2.43 -1.15 -0.52 114.38 116.62 3kkb h ARG 88 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3kkb h ARG 88 Cb -0.01 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3kkb h ARG 88 CO -0.03 0.22 0.09 0.00 -1.51 0.00 0.00 179.97 178.74 3kkb h ARG 89 N 0.35 0.73 -0.24 0.20 3.08 -0.70 -1.14 114.38 116.66 3kkb h ARG 89 Ca 0.16 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3kkb h ARG 89 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kkb h ARG 89 CO -0.13 0.74 0.04 0.28 -1.07 0.00 0.00 179.97 179.84 3kkb h VAL 90 N 0.59 1.22 -0.27 2.04 2.07 -1.14 -1.89 116.25 118.88 3kkb h VAL 90 Ca 0.14 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3kkb h VAL 90 Cb 0.36 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kkb h VAL 90 CO 0.01 0.24 0.06 0.25 0.02 0.00 0.00 177.57 178.14 3kkb h LEU 91 N 0.20 0.03 -0.75 2.57 5.85 -1.01 -1.16 115.31 121.05 3kkb h LEU 91 Ca 0.07 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3kkb h LEU 91 Cb 0.32 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3kkb h LEU 91 CO 0.00 0.05 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.29 3kkb h GLU 92 N 0.17 0.25 -0.42 1.25 4.39 -1.13 0.08 114.58 119.17 3kkb h GLU 92 Ca 0.12 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 3kkb h GLU 92 Cb 0.12 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3kkb h GLU 92 CO -0.16 0.72 -0.06 0.37 -1.16 0.00 0.00 179.01 178.73 3kkb h GLN 93 N 0.20 0.78 -0.06 2.33 4.15 -1.22 -0.77 115.11 120.52 3kkb h GLN 93 Ca 0.00 -0.28 0.03 0.00 0.77 0.00 0.00 58.65 59.17 3kkb h GLN 93 Cb 1.01 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 3kkb h GLN 93 CO 0.08 0.89 -0.14 0.78 -1.93 0.00 0.00 178.83 178.51 3kkb h GLY 94 N 0.61 -0.12 0.86 2.39 0.00 -0.95 -0.76 103.07 105.11 3kkb h GLY 94 Ca 0.11 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.69 3kkb h GLY 94 CO 0.03 -0.14 0.55 3.21 0.00 0.00 0.00 176.54 180.19 3kkb h ARG 95 N -0.20 0.86 0.00 4.80 3.08 -0.79 -1.89 114.38 120.24 3kkb h ARG 95 Ca 0.07 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3kkb h ARG 95 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kkb h ARG 95 CO -0.18 0.57 -0.30 0.00 -1.07 0.00 0.00 179.97 178.98 3kkb h ALA 96 N 1.56 0.86 -0.23 0.04 0.00 -0.68 -3.29 119.26 117.52 3kkb h ALA 96 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kkb h ALA 96 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kkb h ALA 96 CO -0.14 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.57 3kkb n ASN 97 N -3.25 2.91 -4.70 0.00 3.02 -0.33 -4.89 115.26 108.01 3kkb n ASN 97 Ca 0.02 -1.86 -0.35 0.00 -0.03 0.00 0.00 54.58 52.36 3kkb n ASN 97 Cb 0.58 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 3kkb n ASN 97 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kkb s THR 98 N -1.33 5.12 -0.05 3.41 -1.32 -0.78 -4.94 115.64 115.74 3kkb s THR 98 Ca 0.28 0.08 0.17 0.00 -1.21 0.00 0.00 61.69 61.01 3kkb s THR 98 Cb 0.17 -3.31 -0.26 0.00 -1.51 0.00 0.00 72.50 67.60 3kkb s THR 98 CO 0.24 0.47 0.32 0.55 -2.21 0.00 0.00 174.62 173.99 3kkb n VAL 99 N 3.32 0.22 -1.69 5.08 3.14 -1.26 -4.89 118.33 122.26 3kkb n VAL 99 Ca -0.17 -0.46 -0.44 0.00 -2.96 0.00 0.00 64.34 60.32 3kkb n VAL 99 Cb 0.52 -0.03 -0.04 0.00 -1.06 0.00 0.00 33.84 33.24 3kkb n VAL 99 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3kkb n ASP 100 N -2.20 3.74 -0.01 6.55 2.03 -1.26 -4.89 116.55 120.50 3kkb n ASP 100 Ca -0.08 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.25 3kkb n ASP 100 Cb 0.57 -1.49 0.31 0.00 -0.72 0.00 0.00 41.12 39.79 3kkb n ASP 100 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3kkb h SER 101 N 7.98 0.51 0.06 1.67 0.87 -1.99 -1.33 113.55 121.31 3kkb h SER 101 Ca -0.46 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.02 3kkb h SER 101 Cb 1.24 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3kkb h SER 101 CO 0.94 0.54 -0.03 0.00 -0.53 0.00 0.00 176.83 177.74 3kkb h ALA 102 N 1.54 -0.07 -0.85 6.23 0.00 -1.99 -2.40 119.26 121.71 3kkb h ALA 102 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3kkb h ALA 102 Cb 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kkb h ALA 102 CO 0.00 -0.17 0.56 1.49 0.00 0.00 0.00 179.25 181.13 3kkb h GLU 103 N -0.82 1.13 -0.65 0.00 4.81 -1.96 0.91 114.58 117.99 3kkb h GLU 103 Ca -0.01 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3kkb h GLU 103 Cb 0.64 -0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 3kkb h GLU 103 CO 0.01 0.75 0.15 0.37 -0.73 0.00 0.00 179.01 179.56 3kkb h GLN 104 N 1.16 0.26 -0.27 1.92 5.75 -1.30 0.16 115.11 122.79 3kkb h GLN 104 Ca 0.31 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3kkb h GLN 104 Cb -0.12 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 3kkb h GLN 104 CO -0.07 0.17 0.07 0.00 -2.65 0.00 0.00 178.83 176.36 3kkb h ALA 105 N 1.52 0.35 -0.56 3.38 0.00 -0.52 -1.62 119.26 121.81 3kkb h ALA 105 Ca 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kkb h ALA 105 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3kkb h ALA 105 CO -0.44 -0.01 0.32 0.00 0.00 0.00 0.00 179.25 179.13 3kkb h ALA 106 N 0.90 0.71 -0.27 0.00 0.00 -0.34 -2.06 119.26 118.20 3kkb h ALA 106 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kkb h ALA 106 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kkb h ALA 106 CO -0.00 0.21 -0.23 -0.07 0.00 0.00 0.00 179.25 179.15 3kkb h LEU 107 N 0.75 0.51 -0.88 0.00 3.38 -0.60 -0.36 115.31 118.11 3kkb h LEU 107 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kkb h LEU 107 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3kkb h LEU 107 CO -0.04 0.74 0.52 0.44 0.09 0.00 0.00 178.44 180.19 3kkb h ASP 108 N 0.45 1.07 -0.34 -0.43 3.32 -1.11 -0.39 116.42 118.99 3kkb h ASP 108 Ca 0.07 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3kkb h ASP 108 Cb 0.65 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3kkb h ASP 108 CO 0.05 0.83 -0.15 1.23 -1.72 0.00 0.00 179.24 179.48 3kkb h GLY 109 N 1.22 0.85 0.98 2.75 0.00 -0.69 -1.82 103.07 106.35 3kkb h GLY 109 Ca 0.31 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3kkb h GLY 109 CO -0.06 0.62 0.21 -2.08 0.00 0.00 0.00 176.54 175.23 3kkb h VAL 110 N 0.71 1.22 -0.25 4.60 2.07 -0.81 -1.75 116.25 122.04 3kkb h VAL 110 Ca 0.11 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3kkb h VAL 110 Cb 0.64 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3kkb h VAL 110 CO 0.04 0.26 0.15 -0.09 0.02 0.00 0.00 177.57 177.95 3kkb h ARG 111 N 0.71 0.30 -0.44 1.57 2.43 -0.78 0.21 114.38 118.37 3kkb h ARG 111 Ca 0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3kkb h ARG 111 Cb 0.21 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3kkb h ARG 111 CO -0.01 0.20 0.17 -0.44 -1.51 0.00 0.00 179.97 178.38 3kkb h ASP 112 N 0.31 0.20 0.24 -3.80 3.32 -1.26 -1.09 116.42 114.35 3kkb h ASP 112 Ca 0.09 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3kkb h ASP 112 Cb -0.02 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kkb h ASP 112 CO -0.04 0.15 -0.39 0.00 -1.72 0.00 0.00 179.24 177.25 3kkb h ALA 113 N 1.28 1.17 -0.38 3.45 0.00 -0.93 -2.58 119.26 121.27 3kkb h ALA 113 Ca 0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3kkb h ALA 113 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kkb h ALA 113 CO -0.19 0.56 -0.30 -0.92 0.00 0.00 0.00 179.25 178.40 3kkb h TYR 114 N 0.17 0.96 -0.75 0.00 3.20 -0.01 -0.36 116.97 120.18 3kkb h TYR 114 Ca 0.02 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 3kkb h TYR 114 Cb 0.76 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3kkb h TYR 114 CO 0.01 1.01 0.41 -0.07 -1.64 0.00 0.00 178.16 177.88 3kkb h LEU 115 N 0.70 0.93 -0.62 2.82 3.38 -0.98 -1.99 115.31 119.55 3kkb h LEU 115 Ca 0.08 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3kkb h LEU 115 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kkb h LEU 115 CO 0.07 0.75 -0.33 1.56 0.09 0.00 0.00 178.44 180.59 3kkb h GLN 116 N 1.05 0.73 -0.11 1.13 1.08 -1.15 -1.06 115.11 116.78 3kkb h GLN 116 Ca 0.27 -0.34 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3kkb h GLN 116 Cb 0.03 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3kkb h GLN 116 CO -0.04 0.95 -0.13 1.25 -0.95 0.00 0.00 178.83 179.91 3kkb h LEU 117 N 0.61 -0.40 -0.89 1.46 5.85 -0.76 -1.93 115.31 119.27 3kkb h LEU 117 Ca 0.07 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3kkb h LEU 117 Cb 0.85 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3kkb h LEU 117 CO 0.07 -0.17 0.18 1.56 -0.34 0.00 0.00 178.44 179.75 3kkb h GLN 118 N -0.16 1.01 -0.58 1.25 4.20 -1.21 -1.86 115.11 117.76 3kkb h GLN 118 Ca 0.08 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.63 3kkb h GLN 118 Cb 0.28 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3kkb h GLN 118 CO -0.21 0.88 0.38 0.00 -0.67 0.00 0.00 178.83 179.21 3kkb h ALA 119 N 1.23 1.77 -0.59 3.87 0.00 -0.92 -2.77 119.26 121.85 3kkb h ALA 119 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kkb h ALA 119 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kkb h ALA 119 CO -0.00 0.15 0.00 0.72 0.00 0.00 0.00 179.25 180.12 3kkb n HIS 120 N -4.47 1.10 -2.44 0.00 8.25 -0.75 -4.96 115.22 111.95 3kkb n HIS 120 Ca 0.07 -0.58 -0.43 0.00 -0.26 0.00 0.00 57.72 56.53 3kkb n HIS 120 Cb 0.19 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3kkb n HIS 120 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kkb s THR 121 N -1.50 4.26 0.68 1.59 2.01 -0.74 -5.02 115.64 116.92 3kkb s THR 121 Ca 0.44 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 63.95 3kkb s THR 121 Cb 0.27 -4.00 0.06 0.00 0.01 0.00 0.00 72.50 68.84 3kkb s THR 121 CO 0.24 -0.08 0.98 -2.16 -0.69 0.00 0.00 174.62 172.91 3kkb s PRO 122 N 2.94 2.20 0.29 4.92 0.04 -1.26 -4.98 135.00 139.14 3kkb s PRO 122 Ca 0.55 -0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 3kkb s PRO 122 Cb -0.23 -2.22 0.42 0.00 0.04 0.00 0.00 34.50 32.50 3kkb s PRO 122 CO 0.18 -1.18 1.94 0.00 0.04 0.00 0.00 177.00 177.97 3kkb h ALA 123 N -0.50 1.36 -2.72 8.56 0.00 -2.00 -3.46 119.26 120.49 3kkb h ALA 123 Ca -0.44 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.48 3kkb h ALA 123 Cb 1.31 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3kkb h ALA 123 CO 0.57 0.56 0.42 -0.48 0.00 0.00 0.00 179.25 180.32 3kkb s LEU 124 N -9.84 -0.04 -0.49 0.00 0.05 -1.26 -4.78 118.68 102.31 3kkb s LEU 124 Ca -0.11 -0.81 0.08 0.00 0.05 0.00 0.00 54.13 53.33 3kkb s LEU 124 Cb 0.17 2.44 0.29 0.00 -2.05 0.00 0.00 46.19 47.05 3kkb s LEU 124 CO 0.80 -1.28 0.72 0.18 -0.55 0.00 0.00 176.35 176.22 3kkb n LEU 125 N -0.58 2.18 -4.71 1.48 4.77 -1.23 -5.10 117.00 113.81 3kkb n LEU 125 Ca -0.06 -5.18 -0.42 0.00 -0.03 0.00 0.00 56.01 50.33 3kkb n LEU 125 Cb 0.60 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 3kkb n LEU 125 CO 0.21 2.19 0.88 -0.70 -1.33 0.00 0.00 177.39 178.64 3kkb s GLU 126 N -2.32 4.43 -0.44 3.23 2.12 -1.26 -4.89 118.70 119.56 3kkb s GLU 126 Ca 0.41 1.74 -0.10 0.00 0.36 0.00 0.00 54.97 57.37 3kkb s GLU 126 Cb 0.23 -3.38 0.09 0.00 0.26 0.00 0.00 34.13 31.33 3kkb s GLU 126 CO -0.08 -0.27 0.31 0.00 -0.54 0.00 0.00 175.26 174.67 3kkb s ALA 127 N 1.20 3.36 -0.56 6.30 0.00 -1.26 -5.09 121.76 125.72 3kkb s ALA 127 Ca 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3kkb s ALA 127 Cb -0.28 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3kkb s ALA 127 CO 0.28 -1.74 0.00 -2.30 0.00 0.00 0.00 175.76 172.01 3kkb n PRO 128 N 4.97 0.00 0.00 0.00 -0.02 -1.26 -4.67 135.00 134.02 3kkb n PRO 128 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3kkb n PRO 128 Cb 0.42 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3kkb n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kkb n ALA 130 N 0.50 -0.75 -2.54 3.55 0.00 -1.26 -5.11 120.51 114.90 3kkb n ALA 130 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3kkb n ALA 130 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kkb n ALA 130 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kkb s ASP 131 N 0.00 6.17 0.10 0.00 -1.08 -1.26 -4.90 116.67 115.69 3kkb s ASP 131 Ca 0.00 -0.40 -0.20 0.00 -0.52 0.00 0.00 52.55 51.43 3kkb s ASP 131 Cb 0.00 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.81 3kkb s ASP 131 CO 0.00 -1.82 1.68 0.78 0.52 0.00 0.00 175.17 176.33 3kkb h ASN 132 N 10.08 0.22 -0.62 -0.34 4.21 -1.85 0.13 115.58 127.41 3kkb h ASN 132 Ca -0.28 -0.10 0.10 0.00 1.21 0.00 0.00 56.30 57.24 3kkb h ASN 132 Cb 1.05 -0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 38.12 3kkb h ASN 132 CO 1.27 0.26 0.21 0.44 -1.29 0.00 0.00 177.43 178.32 3kkb h ASP 133 N 0.16 0.17 -0.48 5.81 3.32 -1.89 0.10 116.42 123.62 3kkb h ASP 133 Ca 0.06 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3kkb h ASP 133 Cb 0.09 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3kkb h ASP 133 CO -0.01 0.09 0.16 1.23 -1.72 0.00 0.00 179.24 179.00 3kkb h GLY 134 N 0.37 0.79 0.94 2.75 0.00 -1.84 -1.00 103.07 105.07 3kkb h GLY 134 Ca 0.32 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kkb h GLY 134 CO -0.34 0.43 0.13 -2.75 0.00 0.00 0.00 176.54 174.01 3kkb h PHE 135 N 0.63 0.63 -0.70 5.60 3.57 -0.48 -0.42 116.94 125.77 3kkb h PHE 135 Ca 0.15 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3kkb h PHE 135 Cb 0.25 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3kkb h PHE 135 CO 0.01 0.58 0.39 1.03 -2.23 0.00 0.00 178.31 178.09 3kkb h SER 136 N 0.50 0.58 -0.55 0.41 0.87 -0.59 0.59 113.55 115.37 3kkb h SER 136 Ca 0.13 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 3kkb h SER 136 Cb 0.24 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3kkb h SER 136 CO -0.01 0.37 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.50 3kkb h GLU 137 N 0.72 1.03 -0.41 2.24 4.81 -0.95 -0.57 114.58 121.45 3kkb h GLU 137 Ca 0.31 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3kkb h GLU 137 Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kkb h GLU 137 CO -0.19 1.06 -0.12 0.00 -0.73 0.00 0.00 179.01 179.04 3kkb h ALA 138 N 0.93 0.56 -0.44 2.92 0.00 -0.66 -0.59 119.26 121.98 3kkb h ALA 138 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kkb h ALA 138 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kkb h ALA 138 CO 0.05 0.45 0.24 0.35 0.00 0.00 0.00 179.25 180.34 3kkb h PHE 139 N 0.61 0.61 -0.44 0.00 3.57 -0.83 -2.17 116.94 118.29 3kkb h PHE 139 Ca 0.10 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kkb h PHE 139 Cb 0.65 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3kkb h PHE 139 CO 0.05 0.47 0.27 -0.97 -2.23 0.00 0.00 178.31 175.89 3kkb h ASN 140 N 0.58 0.53 -0.32 0.41 -1.24 -0.90 0.24 115.58 114.88 3kkb h ASN 140 Ca 0.16 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.15 3kkb h ASN 140 Cb 0.06 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3kkb h ASN 140 CO -0.02 0.42 0.11 1.23 -1.29 0.00 0.00 177.43 177.88 3kkb h GLY 141 N 0.58 0.40 0.77 1.57 0.00 -0.98 -1.51 103.07 103.90 3kkb h GLY 141 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 3kkb h GLY 141 CO -0.03 0.03 -0.10 -2.00 0.00 0.00 0.00 176.54 174.44 3kkb h LEU 142 N 0.25 0.38 -1.26 3.11 5.85 -1.06 -2.42 115.31 120.16 3kkb h LEU 142 Ca 0.14 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3kkb h LEU 142 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kkb h LEU 142 CO -0.15 0.73 -0.34 0.08 -0.34 0.00 0.00 178.44 178.42 3kkb h ARG 143 N 0.03 0.06 -0.21 1.25 -0.00 -0.86 -1.01 114.38 113.64 3kkb h ARG 143 Ca 0.03 -0.02 -0.18 0.00 -0.00 0.00 0.00 59.98 59.82 3kkb h ARG 143 Cb 0.59 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.56 3kkb h ARG 143 CO 0.03 0.39 -0.58 -0.07 -0.00 0.00 0.00 179.97 179.74 3kkb h LEU 144 N 0.05 0.75 -0.83 0.08 3.38 -1.28 -1.77 115.31 115.68 3kkb h LEU 144 Ca 0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3kkb h LEU 144 Cb 0.62 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3kkb h LEU 144 CO 0.05 1.17 0.33 0.03 0.09 0.00 0.00 178.44 180.10 3kkb h ARG 145 N 0.50 1.19 -0.52 1.13 3.08 -0.87 -0.04 114.38 118.85 3kkb h ARG 145 Ca 0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 3kkb h ARG 145 Cb 1.16 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 3kkb h ARG 145 CO 0.12 0.95 0.06 -0.07 -1.07 0.00 0.00 179.97 179.96 3kkb h LEU 146 N 1.16 0.85 -0.51 3.04 3.38 -1.15 0.26 115.31 122.34 3kkb h LEU 146 Ca 0.27 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kkb h LEU 146 Cb 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kkb h LEU 146 CO -0.02 0.91 0.30 -0.61 0.09 0.00 0.00 178.44 179.11 3kkb h GLN 147 N 0.76 0.59 -0.23 1.13 4.15 -1.09 -1.46 115.11 118.96 3kkb h GLN 147 Ca 0.16 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.41 3kkb h GLN 147 Cb 0.44 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3kkb h GLN 147 CO 0.01 0.39 -0.40 -0.44 -1.93 0.00 0.00 178.83 176.46 3kkb h ASP 148 N 0.61 0.58 -0.34 -0.69 3.32 -0.79 -1.75 116.42 117.34 3kkb h ASP 148 Ca 0.20 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3kkb h ASP 148 Cb 0.02 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kkb h ASP 148 CO -0.09 0.92 0.21 0.25 -1.72 0.00 0.00 179.24 178.80 3kkb h LEU 149 N 0.45 0.34 -0.54 1.55 5.85 -0.73 0.14 115.31 122.37 3kkb h LEU 149 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kkb h LEU 149 Cb 0.90 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3kkb h LEU 149 CO 0.08 0.24 0.32 -0.61 -0.34 0.00 0.00 178.44 178.13 3kkb h GLN 150 N 0.42 0.73 -0.37 1.25 4.15 -1.11 -1.22 115.11 118.96 3kkb h GLN 150 Ca 0.13 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3kkb h GLN 150 Cb -0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3kkb h GLN 150 CO -0.06 0.54 -0.06 1.96 -1.93 0.00 0.00 178.83 179.28 3kkb h GLN 151 N 0.72 0.62 -0.27 1.69 4.20 -1.07 -1.21 115.11 119.79 3kkb h GLN 151 Ca 0.19 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3kkb h GLN 151 Cb -0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kkb h GLN 151 CO -0.04 0.68 -0.03 1.25 -0.67 0.00 0.00 178.83 180.03 3kkb h LEU 152 N 0.58 0.49 -0.58 1.46 5.85 -0.45 -1.41 115.31 121.25 3kkb h LEU 152 Ca 0.11 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3kkb h LEU 152 Cb 0.46 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3kkb h LEU 152 CO 0.02 0.71 0.34 0.00 -0.34 0.00 0.00 178.44 179.17 3kkb h ALA 153 N 0.80 0.74 -0.54 1.25 0.00 -1.07 -1.04 119.26 119.39 3kkb h ALA 153 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kkb h ALA 153 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kkb h ALA 153 CO 0.02 0.23 0.21 1.25 0.00 0.00 0.00 179.25 180.96 3kkb h LEU 154 N 0.78 0.75 -1.29 0.00 5.85 -1.16 -0.08 115.31 120.15 3kkb h LEU 154 Ca 0.21 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kkb h LEU 154 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3kkb h LEU 154 CO -0.04 0.72 0.39 0.00 -0.34 0.00 0.00 178.44 179.17 3kkb h ALA 155 N 1.06 1.47 -0.33 1.25 0.00 -1.02 -0.87 119.26 120.81 3kkb h ALA 155 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kkb h ALA 155 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kkb h ALA 155 CO -0.01 0.46 0.06 0.78 0.00 0.00 0.00 179.25 180.53 3kkb h GLY 156 N 0.92 0.60 0.73 0.00 0.00 -0.53 -1.05 103.07 103.74 3kkb h GLY 156 Ca 0.23 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3kkb h GLY 156 CO -0.04 0.37 -0.14 -2.22 0.00 0.00 0.00 176.54 174.50 3kkb h ILE 157 N 0.39 0.66 -0.72 2.60 2.04 -0.47 -1.72 117.51 120.29 3kkb h ILE 157 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3kkb h ILE 157 Cb 0.35 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3kkb h ILE 157 CO 0.01 0.00 0.25 0.77 0.00 0.00 0.00 178.15 179.18 3kkb h SER 158 N -0.28 1.01 -0.54 1.72 4.64 -1.16 -1.43 113.55 117.52 3kkb h SER 158 Ca 0.03 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 3kkb h SER 158 Cb 0.30 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3kkb h SER 158 CO -0.09 0.92 0.09 -0.08 -0.87 0.00 0.00 176.83 176.81 3kkb h GLU 159 N 1.05 0.89 -0.44 4.77 4.57 -1.02 -1.32 114.58 123.08 3kkb h GLU 159 Ca 0.24 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 3kkb h GLU 159 Cb 0.26 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3kkb h GLU 159 CO -0.01 0.86 -0.16 0.00 -1.18 0.00 0.00 179.01 178.51 3kkb h ALA 160 N 0.99 0.61 -0.77 2.92 0.00 -1.05 0.17 119.26 122.13 3kkb h ALA 160 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kkb h ALA 160 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kkb h ALA 160 CO 0.01 0.55 0.36 1.49 0.00 0.00 0.00 179.25 181.65 3kkb h GLU 161 N 0.72 1.12 -0.49 0.00 4.81 -1.17 -0.84 114.58 118.73 3kkb h GLU 161 Ca 0.10 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 3kkb h GLU 161 Cb 0.72 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3kkb h GLU 161 CO 0.05 0.88 -0.16 1.15 -0.73 0.00 0.00 179.01 180.21 3kkb h THR 162 N 1.09 1.27 -0.54 0.32 2.02 -1.02 -2.90 112.91 113.15 3kkb h THR 162 Ca 0.26 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 3kkb h THR 162 Cb 0.14 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3kkb h THR 162 CO -0.03 0.46 0.09 -1.28 0.37 0.00 0.00 175.52 175.12 3kkb h SER 163 N 0.83 0.82 0.21 4.18 0.87 -0.75 -2.73 113.55 116.98 3kkb h SER 163 Ca 0.12 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3kkb h SER 163 Cb 0.73 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3kkb h SER 163 CO 0.06 0.83 -0.14 0.00 -0.53 0.00 0.00 176.83 177.04 3kkb h ALA 164 N 1.27 1.56 0.00 6.23 0.00 -0.96 -1.92 119.26 125.44 3kkb h ALA 164 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kkb h ALA 164 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kkb h ALA 164 CO 0.01 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3kkb n ARG 165 N -4.07 0.01 0.00 0.00 1.74 -1.03 -5.11 116.66 108.20 3kkb n ARG 165 Ca -0.02 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.29 3kkb n ARG 165 Cb 0.22 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3kkb n ARG 165 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83