#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 1.02 -0.26 0.44 2.02 -1.99 -2.02 112.91 112.11 1org h THR 2 Ca 0.00 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 1org h THR 2 Cb 0.00 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1org h THR 2 CO 0.00 0.10 -0.41 -0.61 0.37 0.00 0.00 175.52 174.97 1org h GLN 3 N -0.32 0.63 -0.71 6.66 5.75 -1.97 -2.21 115.11 122.93 1org h GLN 3 Ca -0.01 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1org h GLN 3 Cb 0.27 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1org h GLN 3 CO 0.02 0.93 0.21 0.66 -2.65 0.00 0.00 178.83 178.00 1org h SER 4 N 0.52 1.05 -0.48 -0.69 4.64 -1.82 0.18 113.55 116.94 1org h SER 4 Ca 0.04 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1org h SER 4 Cb 0.93 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 1org h SER 4 CO 0.08 0.98 0.31 0.22 -0.87 0.00 0.00 176.83 177.55 1org h TYR 5 N 1.07 0.58 -0.48 4.77 5.03 -1.18 -1.74 116.97 125.00 1org h TYR 5 Ca 0.23 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.44 1org h TYR 5 Cb 0.32 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 1org h TYR 5 CO 0.03 0.35 -0.16 0.87 -1.32 0.00 0.00 178.16 177.92 1org h LYS 6 N 0.62 0.94 -0.86 1.82 1.57 -0.75 0.50 116.57 120.41 1org h LYS 6 Ca 0.18 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1org h LYS 6 Cb -0.04 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1org h LYS 6 CO -0.06 1.03 0.56 -0.44 -0.57 0.00 0.00 179.45 179.98 1org h ASP 7 N 0.83 0.94 0.19 0.86 3.32 -0.36 0.86 116.42 123.05 1org h ASP 7 Ca 0.12 -0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.85 1org h ASP 7 Cb 0.72 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.06 1org h ASP 7 CO 0.05 0.65 -1.47 0.00 -1.72 0.00 0.00 179.24 176.76 1org h ALA 8 N 1.49 0.02 0.02 3.45 0.00 -0.96 -3.39 119.26 119.88 1org h ALA 8 Ca 0.33 -0.98 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 1org h ALA 8 Cb -0.02 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1org h ALA 8 CO -0.09 0.79 -1.55 0.52 0.00 0.00 0.00 179.25 178.91 1org h MET 9 N -0.02 0.04 -0.49 0.00 2.86 -0.87 -3.40 114.93 113.04 1org h MET 9 Ca -0.28 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1org h MET 9 Cb 2.00 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 33.58 1org h MET 9 CO 0.19 0.71 -0.37 0.78 1.06 0.00 0.00 176.91 179.27 1org h GLY 10 N 3.06 -0.32 1.42 8.32 0.00 -1.00 0.11 103.07 114.66 1org h GLY 10 Ca -0.23 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1org h GLY 10 CO 0.10 -0.19 0.38 -2.55 0.00 0.00 0.00 176.54 174.28 1org h PRO 11 N -0.24 0.78 -0.12 4.80 0.11 -1.80 0.01 132.00 135.53 1org h PRO 11 Ca 0.18 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 1org h PRO 11 Cb 0.56 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1org h PRO 11 CO -0.62 0.52 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.32 1org h LEU 12 N 0.80 0.47 -0.77 2.35 3.38 -1.41 -1.69 115.31 118.43 1org h LEU 12 Ca 0.21 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1org h LEU 12 Cb -0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1org h LEU 12 CO -0.04 0.97 0.49 0.58 0.09 0.00 0.00 178.44 180.52 1org h VAL 13 N -0.01 1.21 -0.71 1.22 2.07 -0.62 -0.04 116.25 119.37 1org h VAL 13 Ca -0.00 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1org h VAL 13 Cb 0.91 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1org h VAL 13 CO 0.07 0.21 0.46 -0.09 0.02 0.00 0.00 177.57 178.23 1org h ARG 14 N 1.05 0.88 -0.73 1.57 2.43 -0.90 -1.05 114.38 117.64 1org h ARG 14 Ca 0.28 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1org h ARG 14 Cb -0.08 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 1org h ARG 14 CO -0.06 0.58 0.32 1.49 -1.51 0.00 0.00 179.97 180.79 1org h GLU 15 N 0.91 1.07 0.00 0.20 4.81 -0.71 -2.31 114.58 118.55 1org h GLU 15 Ca 0.28 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1org h GLU 15 Cb -0.03 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1org h GLU 15 CO -0.09 0.86 -0.10 0.00 -0.73 0.00 0.00 179.01 178.96 1org h MET 17 N 0.00 0.00 0.00 0.00 2.86 -0.62 0.17 114.93 117.34 1org h MET 17 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1org h MET 17 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1org h MET 17 CO 0.01 0.02 -0.03 0.41 1.06 0.00 0.00 176.91 178.39 1org n GLY 18 N -1.02 -1.54 0.00 8.32 0.00 -0.50 -3.95 105.19 106.50 1org n GLY 18 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1org n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1org n SER 19 N -1.68 0.67 -3.95 1.61 3.41 -0.48 -5.01 113.62 108.19 1org n SER 19 Ca 0.07 -1.05 -0.21 0.00 -0.26 0.00 0.00 58.87 57.41 1org n SER 19 Cb 0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 1org n SER 19 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1org s VAL 20 N -0.05 0.76 -1.42 -3.33 1.01 -0.07 -5.05 120.40 112.25 1org s VAL 20 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1org s VAL 20 Cb 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.71 1org s VAL 20 CO 0.00 0.27 2.30 -1.54 0.00 0.00 0.00 175.10 176.13 1org n SER 21 N 3.82 5.87 -4.94 3.32 3.41 -1.26 -4.60 113.62 119.24 1org n SER 21 Ca -0.23 -2.91 -0.26 0.00 -0.26 0.00 0.00 58.87 55.21 1org n SER 21 Cb 0.52 -1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 62.90 1org n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1org s ALA 22 N 1.49 3.90 0.57 7.33 0.00 -1.26 -4.94 121.76 128.86 1org s ALA 22 Ca 0.51 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1org s ALA 22 Cb 0.14 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1org s ALA 22 CO -0.06 0.43 0.82 0.95 0.00 0.00 0.00 175.76 177.90 1org s THR 23 N -1.85 2.81 0.30 0.00 -4.23 -1.26 -4.96 115.64 106.45 1org s THR 23 Ca 0.36 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1org s THR 23 Cb -0.11 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.91 1org s THR 23 CO 0.29 -0.07 1.95 -0.33 -0.54 0.00 0.00 174.62 175.93 1org h GLU 24 N -0.04 1.06 -0.61 3.99 5.08 -2.00 -1.00 114.58 121.06 1org h GLU 24 Ca -0.43 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1org h GLU 24 Cb 1.29 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1org h GLU 24 CO 0.55 0.70 0.24 -0.44 -1.00 0.00 0.00 179.01 179.06 1org h ASP 25 N 1.09 0.80 -0.73 1.42 3.32 -2.00 -2.51 116.42 117.80 1org h ASP 25 Ca 0.33 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1org h ASP 25 Cb -0.03 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1org h ASP 25 CO -0.09 0.72 0.27 0.44 -1.72 0.00 0.00 179.24 178.86 1org h ASP 26 N 0.87 1.04 -0.25 6.45 3.45 -1.59 -1.04 116.42 125.36 1org h ASP 26 Ca 0.21 -0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.55 1org h ASP 26 Cb 0.17 -0.27 -0.06 0.00 -0.56 0.00 0.00 39.33 38.61 1org h ASP 26 CO -0.02 0.95 -0.13 0.15 -1.57 0.00 0.00 179.24 178.62 1org h PHE 27 N 1.09 -0.31 -0.58 4.55 3.57 -0.92 -0.63 116.94 123.72 1org h PHE 27 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1org h PHE 27 Cb 0.25 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1org h PHE 27 CO 0.02 -0.19 0.36 0.87 -2.23 0.00 0.00 178.31 177.14 1org h LYS 28 N -0.10 0.77 -0.64 1.11 1.57 -1.15 -0.90 116.57 117.23 1org h LYS 28 Ca 0.13 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1org h LYS 28 Cb 0.30 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1org h LYS 28 CO -0.31 0.53 0.34 1.15 -0.57 0.00 0.00 179.45 180.60 1org h THR 29 N 0.78 0.94 -0.10 -0.16 2.02 -0.72 0.34 112.91 116.01 1org h THR 29 Ca 0.21 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1org h THR 29 Cb -0.05 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1org h THR 29 CO -0.04 0.11 -0.29 0.58 0.37 0.00 0.00 175.52 176.26 1org h VAL 30 N 0.63 1.40 -0.30 3.16 2.07 -0.92 -1.23 116.25 121.06 1org h VAL 30 Ca 0.29 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1org h VAL 30 Cb 0.21 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1org h VAL 30 CO -0.20 0.47 0.02 -0.07 0.02 0.00 0.00 177.57 177.82 1org h LEU 31 N -0.08 0.41 -0.11 2.57 4.07 -0.90 -1.63 115.31 119.64 1org h LEU 31 Ca -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1org h LEU 31 Cb 0.91 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1org h LEU 31 CO 0.06 0.46 -0.02 0.59 -1.08 0.00 0.00 178.44 178.45 1org n ASN 32 N -4.33 0.19 -3.71 -0.43 3.02 0.09 -4.66 115.26 105.43 1org n ASN 32 Ca 0.01 -0.67 -0.28 0.00 -0.03 0.00 0.00 54.58 53.62 1org n ASN 32 Cb 0.21 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.01 -5.76 -1.84 3.52 1.74 -0.61 -4.99 116.66 107.71 1org n ARG 33 Ca 0.19 0.66 -0.31 0.00 -0.77 0.00 0.00 57.85 57.62 1org n ARG 33 Cb 0.20 -5.57 0.02 0.00 -1.02 0.00 0.00 32.46 26.09 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 -3.18 5.95 0.18 0.55 0.01 -0.51 -4.98 114.94 112.96 1org s ASN 34 Ca 0.59 1.37 -0.33 0.00 -0.71 0.00 0.00 52.86 53.78 1org s ASN 34 Cb -0.29 -2.34 -0.15 0.00 0.41 0.00 0.00 41.25 38.88 1org s ASN 34 CO 0.73 -1.04 1.33 -2.65 -1.51 0.00 0.00 177.10 173.96 1org n PRO 35 N -2.85 1.59 -2.47 -0.60 -0.02 -1.26 -4.81 135.00 124.58 1org n PRO 35 Ca 0.06 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 1org n PRO 35 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.34 5.78 -0.07 2.45 4.77 -1.26 -4.77 117.00 126.24 1org n LEU 36 Ca 0.15 -4.28 -0.15 0.00 -0.03 0.00 0.00 56.01 51.70 1org n LEU 36 Cb 0.27 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 39.67 1org n LEU 36 CO 0.62 0.78 0.43 -0.08 -1.33 0.00 0.00 177.39 177.81 1org h GLU 37 N 6.73 0.77 -6.65 3.23 4.81 -1.97 -3.43 114.58 118.07 1org h GLU 37 Ca 0.42 -0.50 -0.51 0.00 -0.13 0.00 0.00 59.36 58.64 1org h GLU 37 Cb 0.77 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1org h GLU 37 CO 1.52 1.13 0.27 -1.54 -0.73 0.00 0.00 179.01 179.65 1org s SER 38 N -6.82 7.50 0.28 1.04 1.04 -1.26 -4.95 113.70 110.53 1org s SER 38 Ca -0.11 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1org s SER 38 Cb 0.09 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 64.18 1org s SER 38 CO 0.87 0.17 1.85 -0.09 0.98 0.00 0.00 173.24 177.01 1org h ARG 39 N 4.16 1.00 -0.80 4.02 2.43 -2.00 -1.63 114.38 121.56 1org h ARG 39 Ca -0.46 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1org h ARG 39 Cb 1.20 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1org h ARG 39 CO 0.67 0.66 0.49 1.79 -1.51 0.00 0.00 179.97 182.08 1org h THR 40 N 1.03 1.06 -0.30 0.20 1.35 -1.92 -0.33 112.91 114.01 1org h THR 40 Ca 0.48 -0.32 -0.11 0.00 -0.55 0.00 0.00 66.41 65.91 1org h THR 40 Cb 0.42 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 1org h THR 40 CO -0.24 0.17 -0.28 0.00 -0.25 0.00 0.00 175.52 174.91 1org h ALA 41 N 1.37 0.96 -0.25 6.62 0.00 -1.72 -0.03 119.26 126.21 1org h ALA 41 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1org h ALA 41 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1org h ALA 41 CO -0.15 0.61 0.15 1.96 0.00 0.00 0.00 179.25 181.82 1org h GLN 42 N 0.52 0.31 -0.52 0.00 4.20 -0.84 -0.90 115.11 117.89 1org h GLN 42 Ca 0.07 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1org h GLN 42 Cb 0.75 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1org h GLN 42 CO 0.06 0.20 -0.04 0.00 -0.67 0.00 0.00 178.83 178.39 1org h LEU 44 N 0.83 -0.07 -0.85 0.00 5.85 -0.66 -1.86 115.31 118.55 1org h LEU 44 Ca 0.15 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1org h LEU 44 Cb 0.54 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1org h LEU 44 CO 0.03 -0.05 0.52 0.25 -0.34 0.00 0.00 178.44 178.86 1org h LEU 45 N -0.07 1.01 -0.62 2.25 5.85 -1.09 -1.94 115.31 120.70 1org h LEU 45 Ca -0.00 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1org h LEU 45 Cb 0.06 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 1org h LEU 45 CO 0.01 0.77 0.28 0.00 -0.34 0.00 0.00 178.44 179.16 1org h ALA 46 N 1.28 0.82 -0.42 1.25 0.00 -0.97 0.26 119.26 121.48 1org h ALA 46 Ca 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1org h ALA 46 Cb -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1org h ALA 46 CO -0.06 -0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.29 1org h ALA 48 N 1.07 0.73 -0.20 0.00 0.00 -0.43 -1.14 119.26 119.28 1org h ALA 48 Ca 0.15 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1org h ALA 48 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1org h ALA 48 CO -0.02 0.68 -0.19 -0.07 0.00 0.00 0.00 179.25 179.64 1org h LEU 49 N 0.44 0.34 -0.36 0.00 3.38 -0.46 -0.64 115.31 118.01 1org h LEU 49 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1org h LEU 49 Cb 1.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1org h LEU 49 CO 0.10 0.56 0.00 -0.78 0.09 0.00 0.00 178.44 178.41 1org h ASP 50 N 0.32 0.62 -0.32 -0.43 1.82 -0.98 -0.89 116.42 116.56 1org h ASP 50 Ca 0.06 -0.31 -0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1org h ASP 50 Cb 0.53 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1org h ASP 50 CO 0.03 0.77 0.12 0.11 -1.61 0.00 0.00 179.24 178.66 1org h LYS 51 N 0.45 0.56 0.00 0.28 1.57 -0.62 -2.70 116.57 116.10 1org h LYS 51 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1org h LYS 51 Cb 0.46 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1org h LYS 51 CO 0.02 0.50 -0.10 1.55 -0.57 0.00 0.00 179.45 180.85 1org n VAL 52 N -4.35 0.07 0.00 0.50 3.14 -0.30 -4.91 118.33 112.47 1org n VAL 52 Ca 0.02 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1org n VAL 52 Cb 0.17 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 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 1.48 1.21 0.03 7.55 0.00 -1.02 -4.80 105.19 109.64 1org n GLY 53 Ca 0.07 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 0.62 -4.33 0.99 7.94 -0.36 -4.90 117.00 116.96 1org n LEU 54 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.58 1org n LEU 54 Cb 0.00 -0.16 -0.15 0.00 0.53 0.00 0.00 43.42 43.64 1org n LEU 54 CO 0.00 0.07 -0.48 -0.63 -1.11 0.00 0.00 177.39 175.24 1org s ILE 55 N -3.11 2.78 0.78 1.96 -1.09 -1.25 -0.68 121.20 120.58 1org s ILE 55 Ca 0.07 -0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 57.61 1org s ILE 55 Cb 0.15 -2.14 0.06 0.00 -1.58 0.00 0.00 42.46 38.95 1org s ILE 55 CO 0.76 0.54 1.08 -0.94 -1.23 0.00 0.00 174.94 175.15 1org s SER 56 N 0.30 4.62 0.47 3.58 1.04 0.12 -4.88 113.70 118.95 1org s SER 56 Ca -0.12 1.48 0.25 0.00 0.48 0.00 0.00 55.95 58.04 1org s SER 56 Cb -0.16 -2.24 1.29 0.00 0.10 0.00 0.00 66.02 65.01 1org s SER 56 CO 0.06 -1.91 1.85 -0.65 0.98 0.00 0.00 173.24 173.57 1org h PRO 57 N -1.04 0.20 -0.01 4.02 0.11 -2.00 -0.19 132.00 133.09 1org h PRO 57 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1org h PRO 57 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1org h PRO 57 CO 0.57 0.13 -0.11 0.39 -0.21 0.00 0.00 178.00 178.77 1org n GLU 58 N -4.40 0.93 -0.17 1.05 4.71 -1.26 -4.92 120.64 116.57 1org n GLU 58 Ca 0.21 -0.40 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 1org n GLU 58 Cb 0.89 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 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 1.25 0.91 3.84 0.62 0.00 -0.08 -5.09 105.19 106.64 1org n GLY 59 Ca 0.16 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.58 0.07 4.61 0.00 -1.26 -4.80 121.76 121.96 1org s ALA 60 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 1org s ALA 60 Cb 0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1org s ALA 60 CO 0.00 0.46 1.21 0.42 0.00 0.00 0.00 175.76 177.85 1org s ILE 61 N -1.48 3.98 0.53 0.00 1.01 -1.26 0.13 121.20 124.10 1org s ILE 61 Ca 0.38 1.42 -0.22 0.00 0.00 0.00 0.00 60.65 62.24 1org s ILE 61 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1org s ILE 61 CO 0.19 0.11 1.26 -0.31 0.00 0.00 0.00 174.94 176.19 1org s TYR 62 N 1.05 2.52 0.32 3.97 2.02 0.14 -4.91 117.35 122.45 1org s TYR 62 Ca 0.59 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.78 1org s TYR 62 Cb -0.30 -3.58 -0.06 0.00 -0.40 0.00 0.00 41.96 37.62 1org s TYR 62 CO 0.29 -2.26 0.08 0.95 -1.57 0.00 0.00 175.55 173.04 1org s THR 63 N -1.45 0.95 0.00 -0.71 -4.23 -1.26 -4.61 115.64 104.33 1org s THR 63 Ca 0.70 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1org s THR 63 Cb -0.34 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1org s THR 63 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1org n GLY 64 N -0.66 2.67 0.40 3.99 0.00 -1.26 -2.07 105.19 108.27 1org n GLY 64 Ca -0.02 -0.42 0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 9.85 0.06 0.76 1.61 3.32 -2.02 -1.35 116.42 128.66 1org h ASP 65 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1org h ASP 65 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1org h ASP 65 CO 0.00 0.03 -0.06 0.44 -1.72 0.00 0.00 179.24 177.93 1org h ASP 66 N 0.07 0.00 1.68 6.45 3.32 -1.80 -2.24 116.42 123.89 1org h ASP 66 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1org h ASP 66 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1org h ASP 66 CO -0.02 0.06 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.16 1org h LEU 67 N 0.00 0.00 -0.51 1.55 3.38 -1.27 -3.40 115.31 115.06 1org h LEU 67 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1org h LEU 67 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1org h LEU 67 CO 0.01 0.29 -0.09 0.24 0.09 0.00 0.00 178.44 178.97 1org h MET 68 N 0.00 0.96 -0.45 1.13 2.86 -1.47 -1.60 114.93 116.35 1org h MET 68 Ca -0.01 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1org h MET 68 Cb 1.23 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1org h MET 68 CO 0.04 1.02 0.22 -1.35 1.06 0.00 0.00 176.91 177.89 1org h PRO 69 N 0.82 0.63 0.07 -0.22 0.11 -1.77 -0.30 132.00 131.33 1org h PRO 69 Ca 0.13 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1org h PRO 69 Cb 0.65 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1org h PRO 69 CO 0.04 0.49 -0.03 0.28 -0.21 0.00 0.00 178.00 178.57 1org h VAL 70 N 0.63 1.16 -0.85 3.15 2.07 -1.72 -1.24 116.25 119.45 1org h VAL 70 Ca 0.16 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 66.98 1org h VAL 70 Cb 0.07 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 1org h VAL 70 CO -0.02 0.20 0.46 0.24 0.02 0.00 0.00 177.57 178.47 1org h MET 71 N -0.47 0.67 -0.46 1.57 2.86 -1.07 -0.74 114.93 117.29 1org h MET 71 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1org h MET 71 Cb 0.41 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1org h MET 71 CO 0.02 0.44 0.28 -0.97 1.06 0.00 0.00 176.91 177.74 1org h ASN 72 N 0.69 0.55 -0.49 1.22 -0.73 -0.95 -1.15 115.58 114.72 1org h ASN 72 Ca 0.45 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.48 1org h ASN 72 Cb 0.57 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 1org h ASN 72 CO -0.33 0.44 -0.01 -0.09 -0.37 0.00 0.00 177.43 177.08 1org h ARG 73 N 0.61 0.88 0.04 6.67 2.43 -0.51 -1.03 114.38 123.48 1org h ARG 73 Ca 0.16 -0.28 -0.27 0.00 -0.81 0.00 0.00 59.98 58.78 1org h ARG 73 Cb -0.00 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1org h ARG 73 CO -0.03 0.92 -1.10 -0.07 -1.51 0.00 0.00 179.97 178.17 1org h LEU 74 N 0.74 0.83 0.00 3.80 3.38 -1.08 -3.42 115.31 119.56 1org h LEU 74 Ca 0.14 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1org h LEU 74 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1org h LEU 74 CO 0.03 1.51 -0.36 -1.22 0.09 0.00 0.00 178.44 178.49 1org n TYR 75 N -3.81 0.00 -1.04 1.13 0.53 -0.45 -2.99 117.16 110.54 1org n TYR 75 Ca -0.11 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.91 1org n TYR 75 Cb 0.92 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 39.18 1org n TYR 75 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1org n GLY 76 N 1.08 -2.01 2.79 2.72 0.00 -0.39 -4.64 105.19 104.73 1org n GLY 76 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.52 3.48 0.07 1.61 3.01 -1.26 -4.67 117.46 116.18 1org n PHE 77 Ca -0.01 -3.99 0.06 0.00 1.01 0.00 0.00 57.45 54.53 1org n PHE 77 Cb 0.48 -0.49 -0.09 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.05 1.90 -4.57 4.37 3.02 -1.26 -4.97 115.26 113.69 1org n ASN 78 Ca 0.30 -0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.40 1org n ASN 78 Cb 0.43 1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 40.99 1org n ASN 78 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1org s ASP 79 N -3.29 5.35 0.52 6.41 -0.00 -1.26 -4.99 116.67 119.41 1org s ASP 79 Ca -0.03 -0.01 0.19 0.00 -0.00 0.00 0.00 52.55 52.69 1org s ASP 79 Cb 0.08 -1.91 1.31 0.00 -0.00 0.00 0.00 42.92 42.40 1org s ASP 79 CO 0.52 0.14 2.11 0.15 -0.00 0.00 0.00 175.17 178.10 1org h PHE 80 N 6.90 0.00 -0.53 4.23 3.57 -1.98 -1.56 116.94 127.57 1org h PHE 80 Ca -0.35 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.01 1org h PHE 80 Cb 1.17 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 1org h PHE 80 CO 0.57 0.00 0.17 1.63 -2.23 0.00 0.00 178.31 178.45 1org n LYS 81 N -4.48 3.13 0.11 1.11 4.76 -1.26 -1.58 118.16 119.95 1org n LYS 81 Ca 0.00 -2.24 -0.03 0.00 -2.87 0.00 0.00 58.31 53.17 1org n LYS 81 Cb 0.22 -1.98 0.11 0.00 -1.84 0.00 0.00 35.03 31.54 1org n LYS 81 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1org h THR 82 N 2.10 1.47 0.19 -0.18 2.02 -1.63 0.18 112.91 117.07 1org h THR 82 Ca 0.17 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.05 1org h THR 82 Cb 1.86 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 70.49 1org h THR 82 CO 0.52 0.66 -0.16 0.58 0.37 0.00 0.00 175.52 177.49 1org h VAL 83 N 0.04 0.66 -0.50 3.16 2.07 -1.40 0.01 116.25 120.28 1org h VAL 83 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1org h VAL 83 Cb 1.21 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1org h VAL 83 CO 0.09 0.00 0.15 0.24 0.02 0.00 0.00 177.57 178.07 1org h MET 84 N -0.36 0.74 -0.64 1.57 2.07 -1.32 -2.52 114.93 114.47 1org h MET 84 Ca -0.01 -0.13 -0.09 0.00 -2.07 0.00 0.00 59.70 57.40 1org h MET 84 Cb 0.33 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 1org h MET 84 CO -0.02 0.65 0.04 -0.22 1.07 0.00 0.00 176.91 178.43 1org h LYS 85 N 0.73 1.10 -0.74 1.72 1.63 -0.36 -2.83 116.57 117.82 1org h LYS 85 Ca 0.17 -0.33 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1org h LYS 85 Cb 0.23 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1org h LYS 85 CO -0.01 1.05 0.34 0.00 -3.45 0.00 0.00 179.45 177.37 1org h ALA 86 N 1.01 0.96 -0.47 5.00 0.00 -0.58 -0.99 119.26 124.18 1org h ALA 86 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1org h ALA 86 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1org h ALA 86 CO 0.03 0.54 0.11 -0.22 0.00 0.00 0.00 179.25 179.70 1org h LYS 87 N 1.05 0.76 -0.58 0.00 3.64 -1.40 -1.82 116.57 118.21 1org h LYS 87 Ca 0.25 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1org h LYS 87 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1org h LYS 87 CO -0.03 0.75 0.22 0.00 -2.27 0.00 0.00 179.45 178.12 1org h ALA 88 N 0.98 0.76 -0.35 5.00 0.00 -1.23 -1.39 119.26 123.02 1org h ALA 88 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1org h ALA 88 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1org h ALA 88 CO 0.00 0.39 0.20 0.28 0.00 0.00 0.00 179.25 180.12 1org h VAL 89 N 0.81 1.13 0.09 0.00 2.07 -1.08 0.17 116.25 119.44 1org h VAL 89 Ca 0.19 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1org h VAL 89 Cb 0.23 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1org h VAL 89 CO -0.01 0.13 -0.21 -1.13 0.02 0.00 0.00 177.57 176.37 1org h ASN 90 N 0.45 -0.59 -0.26 0.57 -1.24 -1.21 0.92 115.58 114.22 1org h ASN 90 Ca 0.13 0.07 -0.10 0.00 0.71 0.00 0.00 56.30 57.11 1org h ASN 90 Cb 0.04 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 1org h ASN 90 CO -0.02 -0.29 -0.17 0.44 -1.29 0.00 0.00 177.43 176.10 1org h ASP 91 N -0.38 0.69 -0.27 1.15 3.32 -1.04 -1.51 116.42 118.38 1org h ASP 91 Ca 0.03 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.70 1org h ASP 91 Cb 0.42 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1org h ASP 91 CO -0.13 0.87 -0.45 0.00 -1.72 0.00 0.00 179.24 177.81 1org h ALA 93 N 0.81 0.52 -0.60 0.00 0.00 -0.58 -1.68 119.26 117.74 1org h ALA 93 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1org h ALA 93 Cb 1.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1org h ALA 93 CO 0.10 -0.10 0.40 -0.91 0.00 0.00 0.00 179.25 178.74 1org h ASN 94 N 0.48 0.68 -0.36 0.00 2.35 -1.10 -0.78 115.58 116.85 1org h ASN 94 Ca 0.17 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.74 1org h ASN 94 Cb 0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1org h ASN 94 CO -0.09 0.49 -0.40 -0.61 -1.65 0.00 0.00 177.43 175.18 1org h GLN 95 N 0.81 0.90 0.00 0.81 4.15 -0.71 -3.35 115.11 117.72 1org h GLN 95 Ca 0.22 -0.49 -0.17 0.00 0.77 0.00 0.00 58.65 58.98 1org h GLN 95 Cb -0.08 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1org h GLN 95 CO -0.05 1.14 -1.84 1.33 -1.93 0.00 0.00 178.83 177.48 1org n VAL 96 N -4.08 0.89 -1.67 2.39 0.24 -0.69 -4.87 118.33 110.54 1org n VAL 96 Ca -0.03 -0.68 -0.46 0.00 -2.04 0.00 0.00 64.34 61.13 1org n VAL 96 Cb 0.55 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 1org n VAL 96 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1org n ASN 97 N -2.66 3.16 0.00 -1.34 5.03 -0.31 -1.33 115.26 117.81 1org n ASN 97 Ca -0.14 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.37 1org n ASN 97 Cb 0.84 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 1org n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1org n GLY 98 N 3.62 1.40 0.02 7.41 0.00 -1.26 -4.89 105.19 111.49 1org n GLY 98 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 0.77 3.56 -3.75 4.61 0.00 -0.44 -4.82 120.51 120.44 1org n ALA 99 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1org n ALA 99 Cb 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.20 1.53 0.48 0.00 1.51 -1.26 -5.01 117.35 111.41 1org s TYR 100 Ca 0.03 -1.45 0.21 0.00 -1.01 0.00 0.00 57.07 54.85 1org s TYR 100 Cb 0.15 -1.47 1.31 0.00 -0.11 0.00 0.00 41.96 41.83 1org s TYR 100 CO 0.82 -0.79 2.08 -1.00 -1.11 0.00 0.00 175.55 175.56 1org h PRO 101 N 8.13 0.00 -5.91 -1.71 0.13 -1.97 -3.41 132.00 127.26 1org h PRO 101 Ca -0.15 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.40 1org h PRO 101 Cb 1.05 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1org h PRO 101 CO 0.42 0.11 0.26 0.34 -0.23 0.00 0.00 178.00 178.90 1org s ASP 102 N -6.64 6.91 0.41 1.44 -1.08 -1.26 -4.95 116.67 111.50 1org s ASP 102 Ca -0.04 1.11 0.12 0.00 -0.52 0.00 0.00 52.55 53.21 1org s ASP 102 Cb 0.15 -2.42 0.87 0.00 -1.46 0.00 0.00 42.92 40.06 1org s ASP 102 CO 0.64 -0.30 1.95 0.03 0.52 0.00 0.00 175.17 178.00 1org h ARG 103 N 7.23 0.14 0.06 4.34 3.08 -1.99 -1.17 114.38 126.07 1org h ARG 103 Ca -0.33 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.41 1org h ARG 103 Cb 1.15 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 31.21 1org h ARG 103 CO 0.80 0.29 -1.15 0.00 -1.07 0.00 0.00 179.97 178.84 1org h ASP 105 N 0.33 0.96 -0.32 0.00 3.45 -1.81 0.68 116.42 119.72 1org h ASP 105 Ca -0.16 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.33 1org h ASP 105 Cb 1.82 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 40.35 1org h ASP 105 CO 0.22 0.63 0.12 0.25 -1.57 0.00 0.00 179.24 178.90 1org h LEU 106 N 1.10 0.15 -0.49 1.55 5.85 -1.16 -1.31 115.31 121.00 1org h LEU 106 Ca 0.39 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.97 1org h LEU 106 Cb 0.13 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1org h LEU 106 CO -0.14 0.12 -0.59 0.40 -0.34 0.00 0.00 178.44 177.90 1org h ILE 107 N 0.27 1.33 -0.20 4.05 1.08 -1.12 -0.38 117.51 122.53 1org h ILE 107 Ca 0.14 -1.86 0.04 0.00 -0.39 0.00 0.00 64.86 62.79 1org h ILE 107 Cb 0.10 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.64 1org h ILE 107 CO -0.13 0.57 -0.07 0.50 -0.69 0.00 0.00 178.15 178.33 1org h LYS 108 N 0.40 -0.03 -0.18 2.37 1.63 -0.66 -0.45 116.57 119.66 1org h LYS 108 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1org h LYS 108 Cb 1.14 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1org h LYS 108 CO 0.11 -0.02 -0.52 -0.91 -3.45 0.00 0.00 179.45 174.66 1org h ASN 109 N -0.03 0.54 0.01 4.20 2.35 -1.10 -1.94 115.58 119.62 1org h ASN 109 Ca 0.10 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1org h ASN 109 Cb 0.18 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1org h ASN 109 CO -0.23 0.96 -0.01 0.15 -1.65 0.00 0.00 177.43 176.66 1org h PHE 110 N 0.39 -0.02 -0.27 1.19 3.57 -0.90 -1.37 116.94 119.53 1org h PHE 110 Ca 0.01 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 1org h PHE 110 Cb 1.04 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1org h PHE 110 CO 0.04 0.02 -0.37 1.79 -2.23 0.00 0.00 178.31 177.56 1org h THR 111 N -0.05 1.29 -0.21 4.41 1.35 -1.02 -1.35 112.91 117.33 1org h THR 111 Ca -0.00 -1.53 0.02 0.00 -0.55 0.00 0.00 66.41 64.35 1org h THR 111 Cb 0.05 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1org h THR 111 CO 0.00 0.49 0.10 0.44 -0.25 0.00 0.00 175.52 176.30 1org h ASP 112 N 0.51 0.14 -0.47 5.36 3.45 -1.29 0.22 116.42 124.34 1org h ASP 112 Ca 0.05 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.57 1org h ASP 112 Cb 0.88 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.59 1org h ASP 112 CO 0.08 0.11 0.21 0.00 -1.57 0.00 0.00 179.24 178.07 1org h VAL 114 N 0.42 1.17 -0.72 0.00 2.07 -1.08 -2.56 116.25 115.55 1org h VAL 114 Ca 0.21 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1org h VAL 114 Cb 0.16 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1org h VAL 114 CO -0.18 0.18 0.41 -0.09 0.02 0.00 0.00 177.57 177.92 1org h ARG 115 N 0.62 0.98 0.00 1.57 2.43 -0.40 -2.39 114.38 117.19 1org h ARG 115 Ca 0.16 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1org h ARG 115 Cb 0.07 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1org h ARG 115 CO -0.02 0.70 0.00 -0.91 -1.51 0.00 0.00 179.97 178.23 1org h ASN 116 N 0.99 0.00 -3.59 -3.80 2.35 -0.89 -3.45 115.58 107.19 1org h ASN 116 Ca 0.26 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.49 1org h ASN 116 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1org h ASN 116 CO -0.04 0.00 0.44 -0.44 -1.65 0.00 0.00 177.43 175.74 1org s SER 117 N -5.08 7.35 0.00 5.81 0.01 -0.90 -5.09 113.70 115.80 1org s SER 117 Ca 0.06 2.02 0.27 0.00 1.31 0.00 0.00 55.95 59.61 1org s SER 117 Cb 0.09 -2.60 1.61 0.00 0.21 0.00 0.00 66.02 65.33 1org s SER 117 CO 0.55 -0.15 1.96 0.00 0.41 0.00 0.00 173.24 176.01