#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1org h THR 2 N 0.00 1.22 -0.69 2.46 1.03 -2.00 -2.29 112.91 112.64 1org h THR 2 Ca 0.00 -0.69 -0.04 0.00 -0.01 0.00 0.00 66.41 65.67 1org h THR 2 Cb 0.00 0.77 -0.03 0.00 -1.07 0.00 0.00 68.15 67.82 1org h THR 2 CO 0.00 0.26 0.28 -0.61 -0.01 0.00 0.00 175.52 175.43 1org h GLN 3 N 0.63 1.03 -0.95 0.00 5.75 -1.97 -2.28 115.11 117.32 1org h GLN 3 Ca 0.16 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1org h GLN 3 Cb 0.23 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 1org h GLN 3 CO -0.01 0.85 0.63 0.66 -2.65 0.00 0.00 178.83 178.31 1org h SER 4 N 0.98 1.09 -0.34 -0.69 4.64 -1.79 0.62 113.55 118.05 1org h SER 4 Ca 0.23 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1org h SER 4 Cb 0.20 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1org h SER 4 CO -0.02 0.78 0.14 0.22 -0.87 0.00 0.00 176.83 177.09 1org h TYR 5 N 1.28 0.26 -0.50 4.77 5.03 -1.11 -1.85 116.97 124.85 1org h TYR 5 Ca 0.35 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.56 1org h TYR 5 Cb -0.13 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1org h TYR 5 CO -0.01 0.13 -0.16 0.87 -1.32 0.00 0.00 178.16 177.67 1org h LYS 6 N 0.31 0.98 -0.76 1.82 1.57 -0.82 0.26 116.57 119.94 1org h LYS 6 Ca 0.15 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1org h LYS 6 Cb 0.10 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1org h LYS 6 CO -0.13 1.06 0.36 -0.44 -0.57 0.00 0.00 179.45 179.73 1org h ASP 7 N 0.86 0.98 0.14 0.86 3.32 -0.66 0.62 116.42 122.55 1org h ASP 7 Ca 0.13 -0.11 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 1org h ASP 7 Cb 0.72 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 40.04 1org h ASP 7 CO 0.06 0.83 -1.16 0.00 -1.72 0.00 0.00 179.24 177.25 1org h ALA 8 N 1.32 0.08 0.00 3.45 0.00 -0.95 -3.38 119.26 119.78 1org h ALA 8 Ca 0.26 -0.75 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 1org h ALA 8 Cb 0.11 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1org h ALA 8 CO -0.03 0.72 -1.80 -1.33 0.00 0.00 0.00 179.25 176.81 1org n MET 9 N -3.79 0.64 -0.12 0.00 2.81 0.05 -4.40 117.12 112.31 1org n MET 9 Ca -0.12 0.26 -0.10 0.00 -1.81 0.00 0.00 57.70 55.93 1org n MET 9 Cb 0.94 -1.76 -0.04 0.00 -0.71 0.00 0.00 33.22 31.65 1org n MET 9 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1org h GLY 10 N 3.56 -0.54 0.84 3.03 0.00 -1.04 0.20 103.07 109.11 1org h GLY 10 Ca -0.32 0.53 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1org h GLY 10 CO 0.07 -0.19 0.58 -2.55 0.00 0.00 0.00 176.54 174.46 1org h PRO 11 N -0.33 0.97 -0.22 4.80 0.11 -1.80 -0.28 132.00 135.25 1org h PRO 11 Ca 0.14 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 1org h PRO 11 Cb 0.58 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1org h PRO 11 CO -0.56 0.64 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.22 1org h LEU 12 N 1.00 0.89 -0.57 2.35 3.38 -1.43 -1.80 115.31 119.13 1org h LEU 12 Ca 0.39 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1org h LEU 12 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1org h LEU 12 CO -0.15 1.30 0.22 0.58 0.09 0.00 0.00 178.44 180.48 1org h VAL 13 N 0.52 1.23 -0.24 1.22 2.07 -0.23 -1.91 116.25 118.91 1org h VAL 13 Ca -0.01 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1org h VAL 13 Cb 1.19 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1org h VAL 13 CO 0.12 0.28 -0.03 0.03 0.02 0.00 0.00 177.57 177.99 1org h ARG 14 N 0.78 0.03 -0.77 1.57 3.08 -0.97 -1.98 114.38 116.12 1org h ARG 14 Ca 0.19 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.36 1org h ARG 14 Cb 0.22 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1org h ARG 14 CO -0.01 0.02 0.51 0.93 -1.07 0.00 0.00 179.97 180.35 1org h GLU 15 N 0.04 0.53 0.00 0.04 5.08 -1.09 -2.85 114.58 116.32 1org h GLU 15 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1org h GLU 15 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1org h GLU 15 CO -0.22 0.35 -0.03 0.00 -1.00 0.00 0.00 179.01 178.11 1org h MET 17 N 0.00 0.80 -0.51 0.00 2.86 -1.22 -2.76 114.93 114.09 1org h MET 17 Ca 0.00 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1org h MET 17 Cb 0.70 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1org h MET 17 CO 0.00 0.70 0.04 0.78 1.06 0.00 0.00 176.91 179.48 1org h GLY 18 N 0.73 0.95 2.00 8.32 0.00 -1.81 -0.82 103.07 112.44 1org h GLY 18 Ca 0.18 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1org h GLY 18 CO -0.02 0.62 -0.02 1.48 0.00 0.00 0.00 176.54 178.60 1org h SER 19 N 0.75 0.00 -0.00 0.19 4.64 -1.78 -2.48 113.55 114.87 1org h SER 19 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1org h SER 19 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1org h SER 19 CO 0.02 0.02 -0.08 0.52 -0.87 0.00 0.00 176.83 176.44 1org n VAL 20 N -3.42 0.00 -3.38 0.95 0.31 -1.13 -4.99 118.33 106.67 1org n VAL 20 Ca -0.02 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.61 1org n VAL 20 Cb 0.13 1.08 0.05 0.00 -0.91 0.00 0.00 33.84 34.18 1org n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1org n SER 21 N -0.19 -5.95 -4.80 4.52 7.64 -0.89 -4.84 113.62 109.11 1org n SER 21 Ca 0.02 -0.45 -0.34 0.00 1.01 0.00 0.00 58.87 59.12 1org n SER 21 Cb 0.12 -4.75 -0.03 0.00 -1.01 0.00 0.00 64.21 58.53 1org n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1org s ALA 22 N -3.23 2.88 0.44 -0.43 0.00 -0.37 -5.00 121.76 116.05 1org s ALA 22 Ca 0.47 0.57 0.07 0.00 0.00 0.00 0.00 51.96 53.06 1org s ALA 22 Cb -0.21 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1org s ALA 22 CO 0.58 -0.31 0.61 0.95 0.00 0.00 0.00 175.76 177.58 1org s THR 23 N -2.05 2.95 0.29 0.00 -4.23 -1.26 -4.84 115.64 106.50 1org s THR 23 Ca 0.66 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1org s THR 23 Cb -0.16 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1org s THR 23 CO 0.21 -0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.12 1org h GLU 24 N 0.54 1.01 -0.79 3.99 4.81 -2.00 -1.68 114.58 120.46 1org h GLU 24 Ca -0.40 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1org h GLU 24 Cb 1.28 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1org h GLU 24 CO 0.46 0.74 0.51 -0.44 -0.73 0.00 0.00 179.01 179.55 1org h ASP 25 N 1.02 0.92 -0.43 1.04 5.19 -2.00 -2.13 116.42 120.03 1org h ASP 25 Ca 0.26 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.54 1org h ASP 25 Cb 0.03 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1org h ASP 25 CO -0.04 0.68 -0.09 0.44 -3.12 0.00 0.00 179.24 177.11 1org h ASP 26 N 1.08 0.87 -0.29 6.45 3.45 -1.73 -0.01 116.42 126.24 1org h ASP 26 Ca 0.29 -0.27 0.05 0.00 0.43 0.00 0.00 57.03 57.53 1org h ASP 26 Cb -0.10 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.39 1org h ASP 26 CO -0.06 0.99 0.03 0.15 -1.57 0.00 0.00 179.24 178.78 1org h PHE 27 N 0.80 0.05 -0.56 4.55 3.57 -0.72 -0.89 116.94 123.74 1org h PHE 27 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1org h PHE 27 Cb 0.60 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1org h PHE 27 CO 0.04 -0.01 0.19 0.87 -2.23 0.00 0.00 178.31 177.17 1org h LYS 28 N 0.13 0.86 -0.23 1.11 1.57 -1.06 -0.16 116.57 118.79 1org h LYS 28 Ca 0.14 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1org h LYS 28 Cb 0.16 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1org h LYS 28 CO -0.20 0.77 -0.06 1.15 -0.57 0.00 0.00 179.45 180.54 1org h THR 29 N 0.78 0.77 -0.12 -0.16 2.02 -0.63 -0.73 112.91 114.83 1org h THR 29 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1org h THR 29 Cb 0.26 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1org h THR 29 CO -0.01 0.00 -0.10 0.58 0.37 0.00 0.00 175.52 176.37 1org h VAL 30 N -0.00 1.34 -0.38 3.16 2.07 -1.00 -0.83 116.25 120.62 1org h VAL 30 Ca 0.11 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1org h VAL 30 Cb 0.17 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1org h VAL 30 CO -0.24 0.35 0.23 0.25 0.02 0.00 0.00 177.57 178.18 1org h LEU 31 N -0.10 0.44 -0.79 2.57 5.85 -0.88 -1.95 115.31 120.45 1org h LEU 31 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1org h LEU 31 Cb 0.60 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1org h LEU 31 CO 0.02 0.34 0.00 0.59 -0.34 0.00 0.00 178.44 179.05 1org n ASN 32 N -4.46 1.19 -3.95 1.25 3.02 -0.29 -4.69 115.26 107.32 1org n ASN 32 Ca 0.03 -1.59 -0.32 0.00 -0.03 0.00 0.00 54.58 52.67 1org n ASN 32 Cb 0.08 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1org n ASN 32 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1org n ARG 33 N -0.01 -4.41 -1.68 3.52 1.74 -0.73 -4.98 116.66 110.10 1org n ARG 33 Ca 0.16 0.50 -0.31 0.00 -0.77 0.00 0.00 57.85 57.44 1org n ARG 33 Cb 0.26 -5.32 0.05 0.00 -1.02 0.00 0.00 32.46 26.43 1org n ARG 33 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1org s ASN 34 N -3.21 5.41 0.16 0.55 0.01 -0.35 -4.98 114.94 112.53 1org s ASN 34 Ca 0.67 1.43 -0.34 0.00 -0.71 0.00 0.00 52.86 53.91 1org s ASN 34 Cb -0.35 -2.31 -0.15 0.00 0.41 0.00 0.00 41.25 38.85 1org s ASN 34 CO 0.82 -1.40 1.31 -2.65 -1.51 0.00 0.00 177.10 173.68 1org n PRO 35 N -3.08 1.44 -2.74 -0.60 -0.02 -1.26 -4.80 135.00 123.94 1org n PRO 35 Ca 0.07 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1org n PRO 35 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1org n PRO 35 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1org n LEU 36 N 2.38 5.13 -0.03 2.45 4.77 -1.26 -4.81 117.00 125.63 1org n LEU 36 Ca 0.16 -4.19 -0.14 0.00 -0.03 0.00 0.00 56.01 51.81 1org n LEU 36 Cb 0.25 -1.68 -0.10 0.00 -2.33 0.00 0.00 43.42 39.55 1org n LEU 36 CO 0.62 0.46 0.52 -0.08 -1.33 0.00 0.00 177.39 177.57 1org h GLU 37 N 7.30 0.17 -6.81 3.23 4.81 -1.96 -3.43 114.58 117.88 1org h GLU 37 Ca 0.39 -0.13 -0.49 0.00 -0.13 0.00 0.00 59.36 59.01 1org h GLU 37 Cb 0.86 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1org h GLU 37 CO 1.37 0.76 0.38 -1.54 -0.73 0.00 0.00 179.01 179.25 1org s SER 38 N -6.09 7.41 0.41 1.04 1.04 -1.26 -4.94 113.70 111.30 1org s SER 38 Ca -0.16 2.00 0.09 0.00 0.48 0.00 0.00 55.95 58.37 1org s SER 38 Cb 0.02 -2.60 0.89 0.00 0.10 0.00 0.00 66.02 64.43 1org s SER 38 CO 0.72 -0.02 2.01 -0.09 0.98 0.00 0.00 173.24 176.84 1org h ARG 39 N 3.69 0.53 -0.73 4.02 2.43 -1.99 -1.38 114.38 120.95 1org h ARG 39 Ca -0.46 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1org h ARG 39 Cb 1.20 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1org h ARG 39 CO 0.66 0.35 0.48 1.79 -1.51 0.00 0.00 179.97 181.74 1org h THR 40 N 0.54 1.17 -0.63 0.20 1.35 -1.92 0.14 112.91 113.77 1org h THR 40 Ca 0.22 -0.33 -0.09 0.00 -0.55 0.00 0.00 66.41 65.66 1org h THR 40 Cb 0.20 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 1org h THR 40 CO -0.06 0.18 0.04 0.00 -0.25 0.00 0.00 175.52 175.43 1org h ALA 41 N 1.27 0.84 -0.17 6.62 0.00 -1.69 0.65 119.26 126.78 1org h ALA 41 Ca 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1org h ALA 41 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1org h ALA 41 CO -0.07 0.65 0.11 1.96 0.00 0.00 0.00 179.25 181.90 1org h GLN 42 N 0.98 0.24 -0.45 0.00 4.20 -0.80 -1.36 115.11 117.93 1org h GLN 42 Ca 0.18 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1org h GLN 42 Cb 0.52 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1org h GLN 42 CO 0.02 0.20 -0.08 0.00 -0.67 0.00 0.00 178.83 178.30 1org h LEU 44 N 0.72 -0.43 -0.67 0.00 5.85 -0.67 -1.05 115.31 119.05 1org h LEU 44 Ca 0.13 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1org h LEU 44 Cb 0.56 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1org h LEU 44 CO 0.03 -0.28 0.43 0.25 -0.34 0.00 0.00 178.44 178.53 1org h LEU 45 N -0.45 0.73 -1.22 2.25 5.85 -1.21 -1.75 115.31 119.51 1org h LEU 45 Ca -0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1org h LEU 45 Cb 0.37 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1org h LEU 45 CO 0.04 0.52 0.35 0.00 -0.34 0.00 0.00 178.44 179.01 1org h ALA 46 N 1.27 1.40 -0.51 1.25 0.00 -1.08 0.13 119.26 121.72 1org h ALA 46 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1org h ALA 46 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1org h ALA 46 CO -0.08 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.77 1org h ALA 48 N 0.99 0.64 -0.14 0.00 0.00 -0.61 -1.63 119.26 118.51 1org h ALA 48 Ca 0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1org h ALA 48 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1org h ALA 48 CO 0.00 0.71 -0.33 -0.07 0.00 0.00 0.00 179.25 179.56 1org h LEU 49 N 0.41 0.28 -0.49 0.00 3.38 -0.67 -0.02 115.31 118.20 1org h LEU 49 Ca -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1org h LEU 49 Cb 1.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1org h LEU 49 CO 0.11 0.60 0.16 -0.78 0.09 0.00 0.00 178.44 178.62 1org h ASP 50 N 0.24 0.71 -0.57 -0.43 3.58 -0.96 -0.31 116.42 118.69 1org h ASP 50 Ca 0.03 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 1org h ASP 50 Cb 0.70 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1org h ASP 50 CO 0.05 0.73 0.16 0.11 -2.88 0.00 0.00 179.24 177.41 1org h LYS 51 N 0.66 0.93 0.00 0.28 1.57 -0.50 -2.78 116.57 116.74 1org h LYS 51 Ca 0.16 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1org h LYS 51 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1org h LYS 51 CO -0.01 0.82 0.00 1.55 -0.57 0.00 0.00 179.45 181.25 1org n VAL 52 N -4.26 0.16 0.00 0.50 3.14 -0.10 -4.90 118.33 112.87 1org n VAL 52 Ca 0.05 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1org n VAL 52 Cb 0.23 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 1org n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1org n GLY 53 N 1.35 1.25 0.04 7.55 0.00 -1.01 -4.73 105.19 109.63 1org n GLY 53 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1org n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1org n LEU 54 N 0.00 0.59 -4.27 0.99 7.94 -0.16 -4.85 117.00 117.24 1org n LEU 54 Ca 0.00 0.14 -0.33 0.00 -1.11 0.00 0.00 56.01 54.71 1org n LEU 54 Cb 0.00 -0.21 -0.16 0.00 0.53 0.00 0.00 43.42 43.58 1org n LEU 54 CO 0.00 0.02 -0.50 -0.63 -1.11 0.00 0.00 177.39 175.17 1org s ILE 55 N -3.10 2.54 0.82 1.96 -1.09 -1.25 -0.99 121.20 120.10 1org s ILE 55 Ca 0.08 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 1org s ILE 55 Cb 0.15 -2.05 0.08 0.00 -1.58 0.00 0.00 42.46 39.07 1org s ILE 55 CO 0.71 0.53 1.10 -0.94 -1.23 0.00 0.00 174.94 175.11 1org s SER 56 N 0.61 4.26 0.62 3.58 1.04 0.20 -4.87 113.70 119.13 1org s SER 56 Ca -0.10 1.34 0.33 0.00 0.48 0.00 0.00 55.95 58.00 1org s SER 56 Cb -0.16 -2.05 1.85 0.00 0.10 0.00 0.00 66.02 65.75 1org s SER 56 CO 0.03 -2.12 2.14 -0.65 0.98 0.00 0.00 173.24 173.62 1org h PRO 57 N -1.19 0.00 -0.37 4.02 0.11 -2.00 0.50 132.00 133.07 1org h PRO 57 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1org h PRO 57 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1org h PRO 57 CO 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 1org n GLU 58 N -3.48 1.93 -1.47 1.05 4.71 -1.26 -4.93 120.64 117.19 1org n GLU 58 Ca -0.00 -1.44 -0.08 0.00 -0.01 0.00 0.00 57.16 55.63 1org n GLU 58 Cb 0.26 -1.34 -0.03 0.00 -1.01 0.00 0.00 31.44 29.32 1org n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1org n GLY 59 N 1.16 0.76 3.90 0.62 0.00 0.17 -5.03 105.19 106.76 1org n GLY 59 Ca 0.14 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1org n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1org s ALA 60 N -2.33 3.81 0.05 4.61 0.00 -1.26 -4.84 121.76 121.80 1org s ALA 60 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1org s ALA 60 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1org s ALA 60 CO 0.00 0.41 1.16 0.42 0.00 0.00 0.00 175.76 177.75 1org s ILE 61 N -1.86 4.18 0.47 0.00 1.01 -1.26 -0.63 121.20 123.10 1org s ILE 61 Ca 0.33 1.57 -0.24 0.00 0.00 0.00 0.00 60.65 62.30 1org s ILE 61 Cb -0.10 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1org s ILE 61 CO 0.27 0.12 1.37 -0.31 0.00 0.00 0.00 174.94 176.39 1org s TYR 62 N 1.04 2.51 0.32 3.97 2.02 -0.16 -4.91 117.35 122.14 1org s TYR 62 Ca 0.57 1.33 0.05 0.00 -0.37 0.00 0.00 57.07 58.65 1org s TYR 62 Cb -0.28 -3.81 -0.06 0.00 -0.40 0.00 0.00 41.96 37.40 1org s TYR 62 CO 0.29 -2.69 0.03 0.95 -1.57 0.00 0.00 175.55 172.56 1org s THR 63 N -1.26 1.37 0.00 -0.71 -4.23 -1.26 -4.51 115.64 105.04 1org s THR 63 Ca 0.63 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1org s THR 63 Cb -0.41 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1org s THR 63 CO 0.51 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1org n GLY 64 N -0.69 3.22 0.34 3.99 0.00 -1.26 -2.23 105.19 108.56 1org n GLY 64 Ca -0.03 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1org n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1org h ASP 65 N 3.84 0.57 0.62 1.61 3.32 -2.03 -1.19 116.42 123.16 1org h ASP 65 Ca 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1org h ASP 65 Cb 0.00 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1org h ASP 65 CO 0.00 0.38 -0.00 0.44 -1.72 0.00 0.00 179.24 178.33 1org h ASP 66 N 0.65 0.00 1.61 6.45 3.32 -1.82 -2.29 116.42 124.34 1org h ASP 66 Ca 0.26 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1org h ASP 66 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1org h ASP 66 CO -0.08 0.00 -0.39 0.25 -1.72 0.00 0.00 179.24 177.30 1org h LEU 67 N 0.00 0.00 -0.77 1.55 5.85 -1.22 -3.39 115.31 117.32 1org h LEU 67 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1org h LEU 67 Cb 0.31 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1org h LEU 67 CO 0.00 0.32 0.22 0.24 -0.34 0.00 0.00 178.44 178.89 1org h MET 68 N 0.00 1.14 -0.41 1.25 2.86 -1.46 -1.87 114.93 116.45 1org h MET 68 Ca -0.01 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1org h MET 68 Cb 1.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1org h MET 68 CO 0.04 0.97 0.21 -1.35 1.06 0.00 0.00 176.91 177.84 1org h PRO 69 N 1.09 0.56 -0.10 -0.22 0.11 -1.76 -0.95 132.00 130.74 1org h PRO 69 Ca 0.24 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 1org h PRO 69 Cb 0.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1org h PRO 69 CO -0.01 0.43 -0.27 0.28 -0.21 0.00 0.00 178.00 178.23 1org h VAL 70 N 0.57 1.39 -0.88 3.15 2.07 -1.72 -1.68 116.25 119.14 1org h VAL 70 Ca 0.15 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 66.14 1org h VAL 70 Cb 0.04 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1org h VAL 70 CO -0.02 0.46 0.55 0.24 0.02 0.00 0.00 177.57 178.82 1org h MET 71 N -0.09 0.98 -0.57 1.57 2.86 -1.10 0.24 114.93 118.83 1org h MET 71 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1org h MET 71 Cb 0.88 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1org h MET 71 CO 0.06 0.65 0.28 -0.91 1.06 0.00 0.00 176.91 178.05 1org h ASN 72 N 1.01 0.74 -0.25 1.22 4.21 -1.16 -0.20 115.58 121.14 1org h ASN 72 Ca 0.38 -0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 1org h ASN 72 Cb 0.16 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1org h ASN 72 CO -0.17 0.65 0.01 -0.09 -1.29 0.00 0.00 177.43 176.54 1org h ARG 73 N 0.77 0.44 0.02 0.81 2.43 -0.56 -1.71 114.38 116.57 1org h ARG 73 Ca 0.20 -0.14 -0.24 0.00 -0.81 0.00 0.00 59.98 58.99 1org h ARG 73 Cb 0.11 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1org h ARG 73 CO -0.03 0.60 -0.99 -0.07 -1.51 0.00 0.00 179.97 177.97 1org h LEU 74 N 0.22 0.57 0.00 3.80 3.38 -0.92 -3.42 115.31 118.94 1org h LEU 74 Ca 0.07 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1org h LEU 74 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1org h LEU 74 CO 0.01 1.28 -0.42 -1.22 0.09 0.00 0.00 178.44 178.19 1org n TYR 75 N -3.74 0.00 -0.77 1.13 4.02 -0.13 -2.71 117.16 114.96 1org n TYR 75 Ca -0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.92 1org n TYR 75 Cb 0.86 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.15 1org n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1org n GLY 76 N 1.39 -1.94 2.29 2.72 0.00 -0.64 -4.71 105.19 104.30 1org n GLY 76 Ca 0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1org n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1org n PHE 77 N -3.08 2.65 0.05 1.61 3.01 -1.26 -4.66 117.46 115.78 1org n PHE 77 Ca -0.01 -2.50 0.08 0.00 1.01 0.00 0.00 57.45 56.03 1org n PHE 77 Cb 0.35 -0.26 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 1org n PHE 77 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1org n ASN 78 N -0.59 0.61 -4.62 4.37 5.03 -1.26 -4.91 115.26 113.89 1org n ASN 78 Ca 0.36 0.25 -0.34 0.00 0.87 0.00 0.00 54.58 55.71 1org n ASN 78 Cb 0.85 0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 40.28 1org n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1org s ASP 79 N -5.27 5.13 0.39 6.41 -1.08 -1.26 -5.00 116.67 115.99 1org s ASP 79 Ca -0.03 0.05 0.09 0.00 -0.52 0.00 0.00 52.55 52.14 1org s ASP 79 Cb 0.10 -1.59 0.81 0.00 -1.46 0.00 0.00 42.92 40.78 1org s ASP 79 CO 0.82 0.30 1.95 0.15 0.52 0.00 0.00 175.17 178.92 1org h PHE 80 N 5.75 0.33 -1.04 -5.34 3.57 -1.98 -2.02 116.94 116.21 1org h PHE 80 Ca -0.44 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.31 1org h PHE 80 Cb 1.19 -0.10 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 1org h PHE 80 CO 0.59 0.36 0.64 0.87 -2.23 0.00 0.00 178.31 178.54 1org h LYS 81 N 0.32 0.44 -0.12 1.11 6.56 -2.00 -0.57 116.57 122.31 1org h LYS 81 Ca 0.07 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1org h LYS 81 Cb 0.25 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 1org h LYS 81 CO 0.01 0.29 0.01 1.15 -2.06 0.00 0.00 179.45 178.85 1org h THR 82 N 0.45 1.07 0.36 -0.16 2.02 -1.69 -0.32 112.91 114.64 1org h THR 82 Ca 0.64 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.55 1org h THR 82 Cb 1.46 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1org h THR 82 CO -0.41 0.09 -0.17 0.58 0.37 0.00 0.00 175.52 175.97 1org h VAL 83 N 0.16 0.65 -0.34 3.16 2.07 -1.24 -0.47 116.25 120.25 1org h VAL 83 Ca 0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1org h VAL 83 Cb 0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1org h VAL 83 CO -0.00 0.01 0.04 0.24 0.02 0.00 0.00 177.57 177.88 1org h MET 84 N -0.50 0.50 -0.49 1.57 0.00 -1.42 -2.46 114.93 112.13 1org h MET 84 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 59.70 59.55 1org h MET 84 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 31.60 31.87 1org h MET 84 CO 0.08 0.50 0.28 -0.22 0.00 0.00 0.00 176.91 177.54 1org h LYS 85 N 0.49 0.68 -0.71 1.72 1.63 -0.89 -2.76 116.57 116.73 1org h LYS 85 Ca 0.11 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1org h LYS 85 Cb 0.26 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1org h LYS 85 CO 0.00 0.53 0.25 0.00 -3.45 0.00 0.00 179.45 176.78 1org h ALA 86 N 1.12 1.10 -0.38 5.00 0.00 -0.62 -1.19 119.26 124.30 1org h ALA 86 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1org h ALA 86 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1org h ALA 86 CO -0.03 0.63 0.03 -0.22 0.00 0.00 0.00 179.25 179.66 1org h LYS 87 N 1.04 0.65 -0.30 0.00 3.64 -1.42 -0.04 116.57 120.13 1org h LYS 87 Ca 0.24 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1org h LYS 87 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1org h LYS 87 CO -0.01 0.73 0.14 0.00 -2.27 0.00 0.00 179.45 178.03 1org h ALA 88 N 0.90 0.39 -0.31 5.00 0.00 -1.34 -0.12 119.26 123.78 1org h ALA 88 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1org h ALA 88 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1org h ALA 88 CO 0.01 -0.03 0.16 0.28 0.00 0.00 0.00 179.25 179.67 1org h VAL 89 N 0.35 1.00 -0.43 0.00 2.07 -1.14 0.63 116.25 118.73 1org h VAL 89 Ca 0.10 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1org h VAL 89 Cb 0.14 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1org h VAL 89 CO -0.01 0.06 0.21 -1.13 0.02 0.00 0.00 177.57 176.72 1org h ASN 90 N 0.34 0.31 -0.46 0.57 -1.24 -0.75 -0.05 115.58 114.30 1org h ASN 90 Ca 0.13 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.07 1org h ASN 90 Cb 0.03 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1org h ASN 90 CO -0.08 0.22 -0.08 0.44 -1.29 0.00 0.00 177.43 176.64 1org h ASP 91 N 0.43 0.87 -0.60 1.15 3.32 -0.62 -1.63 116.42 119.34 1org h ASP 91 Ca 0.19 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1org h ASP 91 Cb 0.10 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1org h ASP 91 CO -0.14 1.01 0.19 0.00 -1.72 0.00 0.00 179.24 178.58 1org h ALA 93 N 1.06 0.48 -0.20 0.00 0.00 -0.81 -1.58 119.26 118.20 1org h ALA 93 Ca 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1org h ALA 93 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1org h ALA 93 CO -0.01 -0.25 -0.02 -0.91 0.00 0.00 0.00 179.25 178.07 1org h ASN 94 N 0.30 0.27 -0.01 0.00 2.35 -0.96 -0.67 115.58 116.86 1org h ASN 94 Ca 0.19 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 1org h ASN 94 Cb 0.17 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1org h ASN 94 CO -0.19 0.33 -0.59 -0.61 -1.65 0.00 0.00 177.43 174.72 1org h GLN 95 N 0.29 0.61 0.00 0.81 4.15 -0.45 -3.34 115.11 117.18 1org h GLN 95 Ca 0.07 -0.41 -0.15 0.00 0.77 0.00 0.00 58.65 58.93 1org h GLN 95 Cb 0.23 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1org h GLN 95 CO 0.01 1.02 -2.00 1.33 -1.93 0.00 0.00 178.83 177.26 1org n VAL 96 N -3.95 0.66 -1.83 2.39 0.24 -0.65 -4.85 118.33 110.34 1org n VAL 96 Ca -0.04 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.34 61.19 1org n VAL 96 Cb 0.63 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.71 1org n VAL 96 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1org s ASN 97 N -5.06 6.45 0.00 -1.34 0.02 -0.27 -1.32 114.94 113.42 1org s ASN 97 Ca -0.08 2.83 0.00 0.00 -1.02 0.00 0.00 52.86 54.60 1org s ASN 97 Cb 0.10 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.75 1org s ASN 97 CO 0.86 -0.88 0.00 0.61 0.02 0.00 0.00 177.10 177.72 1org n GLY 98 N 2.81 2.80 0.03 0.66 0.00 -1.26 -4.88 105.19 105.35 1org n GLY 98 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1org n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1org n ALA 99 N -1.32 3.35 -3.44 4.61 0.00 -0.43 -4.79 120.51 118.49 1org n ALA 99 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 1org n ALA 99 Cb 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1org n ALA 99 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1org s TYR 100 N -3.29 0.72 0.43 0.00 1.51 -1.25 -5.01 117.35 110.47 1org s TYR 100 Ca -0.00 -1.69 0.12 0.00 -1.01 0.00 0.00 57.07 54.49 1org s TYR 100 Cb 0.14 -0.88 0.99 0.00 -0.11 0.00 0.00 41.96 42.10 1org s TYR 100 CO 0.85 -0.84 2.00 -1.35 -1.11 0.00 0.00 175.55 175.11 1org h PRO 101 N 6.80 0.42 -6.32 -1.71 0.11 -1.94 -3.38 132.00 125.98 1org h PRO 101 Ca 0.09 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.63 1org h PRO 101 Cb 0.96 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1org h PRO 101 CO 0.27 0.28 0.53 0.34 -0.21 0.00 0.00 178.00 179.21 1org s ASP 102 N -6.37 7.24 0.43 -2.05 -1.08 -1.26 -4.93 116.67 108.65 1org s ASP 102 Ca -0.08 1.63 0.13 0.00 -0.52 0.00 0.00 52.55 53.72 1org s ASP 102 Cb 0.19 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 40.04 1org s ASP 102 CO 0.74 -0.42 1.97 0.08 0.52 0.00 0.00 175.17 178.07 1org h ARG 103 N 7.05 0.05 -0.27 4.34 0.11 -1.90 0.11 114.38 123.87 1org h ARG 103 Ca -0.35 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 59.67 1org h ARG 103 Cb 1.17 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 1org h ARG 103 CO 0.83 0.23 -0.03 0.00 0.10 0.00 0.00 179.97 181.09 1org h ASP 105 N 0.26 0.65 -0.40 0.00 3.45 -1.81 0.89 116.42 119.46 1org h ASP 105 Ca 0.07 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.48 1org h ASP 105 Cb 0.48 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 1org h ASP 105 CO 0.02 0.53 0.23 0.25 -1.57 0.00 0.00 179.24 178.70 1org h LEU 106 N 0.71 0.37 -0.56 1.55 5.85 -0.60 -1.54 115.31 121.09 1org h LEU 106 Ca 0.19 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1org h LEU 106 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1org h LEU 106 CO -0.03 0.27 -0.49 0.40 -0.34 0.00 0.00 178.44 178.24 1org h ILE 107 N 0.47 1.31 -0.00 4.05 1.08 -0.66 0.77 117.51 124.53 1org h ILE 107 Ca 0.16 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 62.95 1org h ILE 107 Cb 0.01 1.68 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1org h ILE 107 CO -0.08 0.54 -0.24 0.50 -0.69 0.00 0.00 178.15 178.18 1org h LYS 108 N 0.45 -0.36 -0.31 2.37 1.63 -0.52 0.17 116.57 120.00 1org h LYS 108 Ca 0.02 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.72 1org h LYS 108 Cb 1.02 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 1org h LYS 108 CO 0.09 -0.24 -0.32 -0.91 -3.45 0.00 0.00 179.45 174.62 1org h ASN 109 N -0.37 0.70 -0.06 4.20 2.35 -1.16 -1.57 115.58 119.67 1org h ASN 109 Ca 0.06 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1org h ASN 109 Cb 0.45 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1org h ASN 109 CO -0.21 0.97 0.03 0.15 -1.65 0.00 0.00 177.43 176.72 1org h PHE 110 N 0.57 0.08 -0.23 1.19 3.57 -0.71 -1.20 116.94 120.20 1org h PHE 110 Ca 0.06 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1org h PHE 110 Cb 0.83 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1org h PHE 110 CO 0.04 0.10 -0.33 1.79 -2.23 0.00 0.00 178.31 177.68 1org h THR 111 N 0.03 1.28 -0.58 4.41 1.35 -0.89 -0.43 112.91 118.09 1org h THR 111 Ca 0.02 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1org h THR 111 Cb 0.04 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1org h THR 111 CO -0.00 0.44 0.24 0.44 -0.25 0.00 0.00 175.52 176.39 1org h ASP 112 N 0.42 0.79 -0.49 5.36 3.45 -1.20 -0.67 116.42 124.07 1org h ASP 112 Ca 0.05 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 1org h ASP 112 Cb 0.78 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 1org h ASP 112 CO 0.06 0.74 0.29 0.00 -1.57 0.00 0.00 179.24 178.76 1org h VAL 114 N 0.66 1.25 -0.47 0.00 2.07 -0.83 -2.45 116.25 116.48 1org h VAL 114 Ca 0.18 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1org h VAL 114 Cb -0.00 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1org h VAL 114 CO -0.03 0.33 0.11 -0.09 0.02 0.00 0.00 177.57 177.91 1org h ARG 115 N 0.86 0.72 0.00 1.57 2.43 -0.82 -2.33 114.38 116.80 1org h ARG 115 Ca 0.19 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1org h ARG 115 Cb 0.34 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1org h ARG 115 CO 0.00 0.65 0.00 0.09 -1.51 0.00 0.00 179.97 179.21 1org n ASN 116 N -4.29 0.68 -4.74 -3.80 3.02 -0.28 -4.80 115.26 101.05 1org n ASN 116 Ca 0.03 0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 54.79 1org n ASN 116 Cb 0.21 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.56 1org n ASN 116 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1org s SER 117 N -4.28 7.27 0.00 6.41 0.01 -0.88 -5.08 113.70 117.16 1org s SER 117 Ca 0.08 1.52 0.02 0.00 1.31 0.00 0.00 55.95 58.88 1org s SER 117 Cb 0.11 -2.49 0.13 0.00 0.21 0.00 0.00 66.02 63.98 1org s SER 117 CO 0.50 0.01 0.62 0.00 0.41 0.00 0.00 173.24 174.77