#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo n LYS 12 N 0.00 2.36 -1.68 1.61 0.00 -1.26 -4.83 118.16 114.36 2pyo n LYS 12 Ca 0.00 0.83 -0.45 0.00 0.00 0.00 0.00 58.31 58.69 2pyo n LYS 12 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 35.03 32.10 2pyo n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pyo n ALA 13 N 8.13 1.69 -4.06 3.14 0.00 -1.26 -5.00 120.51 123.14 2pyo n ALA 13 Ca 0.24 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 2pyo n ALA 13 Cb 0.36 -2.49 -0.15 0.00 0.00 0.00 0.00 19.45 17.17 2pyo n ALA 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pyo s LYS 14 N 2.31 2.33 0.61 0.00 -0.14 -1.26 -5.09 119.74 118.50 2pyo s LYS 14 Ca 0.83 -1.18 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 2pyo s LYS 14 Cb -0.59 -2.77 -0.08 0.00 -1.68 0.00 0.00 37.83 32.71 2pyo s LYS 14 CO 0.40 -0.49 0.47 -1.13 -0.76 0.00 0.00 175.35 173.84 2pyo n SER 15 N 4.50 -1.29 0.03 2.83 3.41 -1.26 -4.54 113.62 117.30 2pyo n SER 15 Ca -0.15 0.68 0.22 0.00 -0.26 0.00 0.00 58.87 59.36 2pyo n SER 15 Cb 0.44 -1.16 0.73 0.00 -0.26 0.00 0.00 64.21 63.96 2pyo n SER 15 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pyo h ARG 16 N 0.04 0.00 -0.11 4.33 3.08 -1.98 0.17 114.38 119.92 2pyo h ARG 16 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 2pyo h ARG 16 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2pyo h ARG 16 CO 0.45 0.00 -0.24 0.77 -1.07 0.00 0.00 179.97 179.88 2pyo h SER 17 N 0.00 0.40 -0.71 7.04 0.02 -1.86 -1.79 113.55 116.65 2pyo h SER 17 Ca 0.25 -0.57 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 2pyo h SER 17 Cb 1.23 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 2pyo h SER 17 CO -0.00 0.90 0.35 0.78 -1.14 0.00 0.00 176.83 177.72 2pyo h ASN 18 N -0.08 0.94 -0.49 3.07 2.35 -0.95 0.41 115.58 120.83 2pyo h ASN 18 Ca 0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2pyo h ASN 18 Cb 0.84 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2pyo h ASN 18 CO 0.05 0.79 0.14 0.03 -1.65 0.00 0.00 177.43 176.79 2pyo h ARG 19 N 1.03 0.77 0.00 0.81 3.08 -0.94 -2.52 114.38 116.61 2pyo h ARG 19 Ca 0.25 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2pyo h ARG 19 Cb 0.10 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2pyo h ARG 19 CO -0.03 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.60 2pyo h ALA 20 N 1.00 1.00 -2.34 0.04 0.00 -0.82 -3.47 119.26 114.67 2pyo h ALA 20 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2pyo h ALA 20 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2pyo h ALA 20 CO -0.00 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.49 2pyo n GLY 21 N 0.81 0.50 3.35 0.00 0.00 0.12 -5.05 105.19 104.92 2pyo n GLY 21 Ca 0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2pyo n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyo s LEU 22 N -2.63 2.45 0.09 0.99 1.43 0.43 -5.01 118.68 116.43 2pyo s LEU 22 Ca 0.10 -0.87 0.18 0.00 -1.03 0.00 0.00 54.13 52.50 2pyo s LEU 22 Cb -0.04 -0.89 -0.11 0.00 0.03 0.00 0.00 46.19 45.18 2pyo s LEU 22 CO 0.17 -0.01 0.88 1.56 0.23 0.00 0.00 176.35 179.18 2pyo h GLN 23 N 3.19 0.00 -6.85 1.70 1.08 -1.95 -3.39 115.11 108.90 2pyo h GLN 23 Ca -0.43 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.30 2pyo h GLN 23 Cb 1.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 2pyo h GLN 23 CO 0.51 0.24 0.34 -0.06 -0.95 0.00 0.00 178.83 178.90 2pyo s PHE 24 N -3.00 3.75 -0.91 2.96 0.40 -1.26 -4.98 117.98 114.94 2pyo s PHE 24 Ca -0.02 1.79 -0.25 0.00 -0.60 0.00 0.00 56.93 57.85 2pyo s PHE 24 Cb 0.09 -2.92 -0.10 0.00 0.51 0.00 0.00 43.02 40.60 2pyo s PHE 24 CO 0.81 0.26 2.12 -1.25 0.70 0.00 0.00 175.22 177.86 2pyo s PRO 25 N -1.89 2.10 0.43 0.24 0.04 -1.26 -4.72 135.00 129.94 2pyo s PRO 25 Ca 0.48 -0.12 0.10 0.00 0.04 0.00 0.00 61.00 61.50 2pyo s PRO 25 Cb -0.20 -4.98 0.95 0.00 0.04 0.00 0.00 34.50 30.32 2pyo s PRO 25 CO 0.25 -3.99 2.05 0.28 0.04 0.00 0.00 177.00 175.63 2pyo h VAL 26 N 7.26 1.09 -0.06 -0.36 2.07 -1.90 0.15 116.25 124.50 2pyo h VAL 26 Ca 0.07 -0.28 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 2pyo h VAL 26 Cb 1.00 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2pyo h VAL 26 CO 1.12 0.11 -0.86 1.23 0.02 0.00 0.00 177.57 179.19 2pyo h GLY 27 N 0.44 0.61 0.65 2.17 0.00 -1.94 -1.72 103.07 103.28 2pyo h GLY 27 Ca 0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 2pyo h GLY 27 CO -0.01 0.85 -0.04 -0.09 0.00 0.00 0.00 176.54 177.25 2pyo h ARG 28 N 0.35 0.15 -0.85 4.80 2.43 -1.84 -2.07 114.38 117.34 2pyo h ARG 28 Ca -0.07 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2pyo h ARG 28 Cb 1.48 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.97 2pyo h ARG 28 CO 0.16 0.54 0.56 0.82 -1.51 0.00 0.00 179.97 180.53 2pyo h ILE 29 N -0.25 1.03 -0.45 1.20 2.04 -1.03 0.81 117.51 120.86 2pyo h ILE 29 Ca 0.01 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2pyo h ILE 29 Cb 0.50 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2pyo h ILE 29 CO 0.01 0.17 0.09 -0.74 0.00 0.00 0.00 178.15 177.68 2pyo h HIS 30 N 0.92 0.77 -0.70 1.37 2.76 -1.14 -1.15 115.15 117.99 2pyo h HIS 30 Ca 0.37 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 2pyo h HIS 30 Cb 0.26 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2pyo h HIS 30 CO -0.00 0.72 0.32 -0.09 -1.30 0.00 0.00 177.93 177.57 2pyo h ARG 31 N 0.60 1.02 -0.12 5.26 2.43 -0.56 -2.42 114.38 120.59 2pyo h ARG 31 Ca 0.14 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2pyo h ARG 31 Cb 0.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2pyo h ARG 31 CO 0.00 0.82 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.03 2pyo h LEU 32 N 0.99 0.19 0.06 3.80 3.38 -0.61 -1.59 115.31 121.54 2pyo h LEU 32 Ca 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2pyo h LEU 32 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pyo h LEU 32 CO -0.03 0.40 -0.03 -0.07 0.09 0.00 0.00 178.44 178.80 2pyo h LEU 33 N 0.19 -0.07 0.18 1.67 3.38 -0.74 -2.58 115.31 117.34 2pyo h LEU 33 Ca 0.04 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2pyo h LEU 33 Cb 0.44 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2pyo h LEU 33 CO 0.03 0.27 -0.32 0.03 0.09 0.00 0.00 178.44 178.54 2pyo h ARG 34 N -0.42 -0.55 0.00 1.13 3.08 -1.21 -2.52 114.38 113.89 2pyo h ARG 34 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pyo h ARG 34 Cb 0.37 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2pyo h ARG 34 CO 0.01 -0.37 0.00 1.63 -1.07 0.00 0.00 179.97 180.17 2pyo n LYS 35 N -5.42 0.71 -0.19 0.04 5.02 -0.62 -2.75 118.16 114.94 2pyo n LYS 35 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 2pyo n LYS 35 Cb 0.33 -1.29 0.21 0.00 -0.02 0.00 0.00 35.03 34.26 2pyo n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pyo n GLY 36 N 0.33 1.77 3.54 0.72 0.00 -0.95 -4.98 105.19 105.62 2pyo n GLY 36 Ca 0.10 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 2pyo n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pyo n ASN 37 N 1.43 -5.65 -0.10 1.61 5.03 -1.11 -4.91 115.26 111.55 2pyo n ASN 37 Ca 0.19 -0.91 -0.11 0.00 0.87 0.00 0.00 54.58 54.61 2pyo n ASN 37 Cb 0.59 -3.99 -0.14 0.00 -1.02 0.00 0.00 39.78 35.21 2pyo n ASN 37 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2pyo n TYR 38 N -3.88 0.00 -3.52 3.10 4.02 -1.26 -5.04 117.16 110.58 2pyo n TYR 38 Ca -0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.72 2pyo n TYR 38 Cb 0.60 -0.96 -0.02 0.00 -0.02 0.00 0.00 39.34 38.94 2pyo n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pyo s ALA 39 N -2.48 -1.87 0.16 -0.72 0.00 -1.26 -5.05 121.76 110.55 2pyo s ALA 39 Ca -0.15 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 2pyo s ALA 39 Cb 0.06 0.32 0.09 0.00 0.00 0.00 0.00 23.12 23.59 2pyo s ALA 39 CO 0.74 -0.67 1.72 1.49 0.00 0.00 0.00 175.76 179.04 2pyo h GLU 40 N 2.00 0.17 -6.18 0.00 4.81 -1.97 -3.43 114.58 109.97 2pyo h GLU 40 Ca -0.20 -0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.43 2pyo h GLU 40 Cb 1.23 -0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.31 2pyo h GLU 40 CO 0.29 0.11 -0.85 1.03 -0.73 0.00 0.00 179.01 178.87 2pyo s ARG 41 N -6.17 1.44 -0.16 1.92 0.52 -1.26 -5.10 118.95 110.15 2pyo s ARG 41 Ca -0.13 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 2pyo s ARG 41 Cb 0.13 -1.57 0.02 0.00 0.52 0.00 0.00 34.95 34.05 2pyo s ARG 41 CO 0.71 0.40 -0.20 0.08 0.02 0.00 0.00 175.30 176.31 2pyo s VAL 42 N -0.81 1.98 0.69 3.52 1.01 -1.26 -5.11 120.40 120.43 2pyo s VAL 42 Ca 0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2pyo s VAL 42 Cb -0.09 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2pyo s VAL 42 CO 0.02 0.53 1.07 -0.83 0.00 0.00 0.00 175.10 175.89 2pyo s GLY 43 N 1.10 1.79 0.36 4.51 0.00 -1.26 -4.96 107.32 108.85 2pyo s GLY 43 Ca -0.01 0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.97 2pyo s GLY 43 CO -0.08 0.54 1.99 0.00 0.00 0.00 0.00 173.10 175.55 2pyo h ALA 44 N -0.52 1.62 -0.23 3.20 0.00 -2.04 -3.10 119.26 118.19 2pyo h ALA 44 Ca -0.45 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2pyo h ALA 44 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pyo h ALA 44 CO 0.56 0.31 -0.40 0.78 0.00 0.00 0.00 179.25 180.50 2pyo h GLY 45 N 0.81 0.74 -0.95 0.00 0.00 -2.01 -3.36 103.07 98.30 2pyo h GLY 45 Ca 0.27 -0.85 0.11 0.00 0.00 0.00 0.00 47.33 46.85 2pyo h GLY 45 CO -0.07 0.77 -0.52 0.00 0.00 0.00 0.00 176.54 176.72 2pyo h ALA 46 N 0.63 -0.32 -0.34 3.60 0.00 -1.93 0.23 119.26 121.13 2pyo h ALA 46 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2pyo h ALA 46 Cb 1.00 1.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.00 2pyo h ALA 46 CO 0.09 -0.85 0.14 -1.00 0.00 0.00 0.00 179.25 177.63 2pyo h PRO 47 N -0.03 0.47 0.42 0.00 0.13 -1.72 0.18 132.00 131.45 2pyo h PRO 47 Ca 0.22 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2pyo h PRO 47 Cb 0.49 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2pyo h PRO 47 CO -0.93 0.39 -0.20 0.28 -0.23 0.00 0.00 178.00 177.31 2pyo h VAL 48 N 0.47 0.58 -0.29 1.56 2.07 -0.80 0.15 116.25 119.98 2pyo h VAL 48 Ca 0.12 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2pyo h VAL 48 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2pyo h VAL 48 CO -0.01 0.05 0.14 0.22 0.02 0.00 0.00 177.57 177.98 2pyo h TYR 49 N -0.72 0.25 -0.26 1.57 3.20 -0.66 -0.30 116.97 120.05 2pyo h TYR 49 Ca -0.06 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2pyo h TYR 49 Cb 0.51 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2pyo h TYR 49 CO -0.01 0.14 0.15 1.25 -1.64 0.00 0.00 178.16 178.05 2pyo h LEU 50 N 0.29 0.31 -0.91 2.82 5.85 -0.58 -0.57 115.31 122.53 2pyo h LEU 50 Ca 0.12 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2pyo h LEU 50 Cb 0.05 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2pyo h LEU 50 CO -0.09 0.27 0.58 0.00 -0.34 0.00 0.00 178.44 178.86 2pyo h ALA 51 N 1.05 1.24 -0.50 1.25 0.00 -0.36 -0.50 119.26 121.44 2pyo h ALA 51 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2pyo h ALA 51 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2pyo h ALA 51 CO -0.02 0.37 0.13 0.00 0.00 0.00 0.00 179.25 179.73 2pyo h ALA 52 N 1.41 0.66 -0.74 0.00 0.00 -0.55 -0.51 119.26 119.53 2pyo h ALA 52 Ca 0.38 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2pyo h ALA 52 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2pyo h ALA 52 CO -0.16 0.34 0.29 0.28 0.00 0.00 0.00 179.25 180.01 2pyo h VAL 53 N 0.68 1.25 0.04 0.00 2.07 -0.22 -0.66 116.25 119.42 2pyo h VAL 53 Ca 0.16 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2pyo h VAL 53 Cb 0.32 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2pyo h VAL 53 CO 0.00 0.32 -0.02 0.24 0.02 0.00 0.00 177.57 178.13 2pyo h MET 54 N 1.07 -0.06 -0.52 1.57 2.86 -0.94 -1.73 114.93 117.19 2pyo h MET 54 Ca 0.25 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.93 2pyo h MET 54 Cb 0.22 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2pyo h MET 54 CO -0.02 0.14 0.27 1.49 1.06 0.00 0.00 176.91 179.86 2pyo h GLU 55 N -0.25 0.51 0.11 1.72 4.81 -0.98 -0.61 114.58 119.90 2pyo h GLU 55 Ca -0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2pyo h GLU 55 Cb 0.23 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2pyo h GLU 55 CO 0.01 0.34 -0.37 -0.92 -0.73 0.00 0.00 179.01 177.34 2pyo h TYR 56 N 0.53 -1.04 -0.62 0.92 3.20 -0.97 1.00 116.97 119.99 2pyo h TYR 56 Ca 0.22 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.14 2pyo h TYR 56 Cb 0.11 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2pyo h TYR 56 CO -0.09 -0.48 0.41 -0.07 -1.64 0.00 0.00 178.16 176.29 2pyo h LEU 57 N -0.60 0.67 -1.22 2.82 3.38 -0.92 0.55 115.31 119.99 2pyo h LEU 57 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2pyo h LEU 57 Cb 0.63 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2pyo h LEU 57 CO -0.22 0.47 -0.10 0.00 0.09 0.00 0.00 178.44 178.68 2pyo h ALA 58 N 1.63 1.36 0.05 1.53 0.00 -0.46 -1.95 119.26 121.41 2pyo h ALA 58 Ca 0.24 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2pyo h ALA 58 Cb -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.69 2pyo h ALA 58 CO -0.06 0.44 -0.93 0.00 0.00 0.00 0.00 179.25 178.70 2pyo h ALA 59 N 1.51 0.04 -0.93 0.00 0.00 1.00 -0.83 119.26 120.05 2pyo h ALA 59 Ca 0.08 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.36 2pyo h ALA 59 Cb 0.42 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2pyo h ALA 59 CO 0.02 0.53 0.60 1.49 0.00 0.00 0.00 179.25 181.90 2pyo h GLU 60 N 0.10 1.10 0.02 0.00 4.57 -0.78 0.73 114.58 120.33 2pyo h GLU 60 Ca -0.13 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 2pyo h GLU 60 Cb 1.63 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2pyo h GLU 60 CO 0.18 0.73 -0.46 0.28 -1.18 0.00 0.00 179.01 178.56 2pyo h VAL 61 N 1.13 1.51 -0.83 0.32 2.07 -1.41 -2.69 116.25 116.37 2pyo h VAL 61 Ca 0.39 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2pyo h VAL 61 Cb 0.07 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 2pyo h VAL 61 CO -0.14 0.60 0.47 -0.07 0.02 0.00 0.00 177.57 178.44 2pyo h LEU 62 N -0.37 1.01 -0.07 2.57 3.38 -0.81 0.94 115.31 121.97 2pyo h LEU 62 Ca -0.06 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2pyo h LEU 62 Cb 1.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2pyo h LEU 62 CO 0.09 0.80 -0.04 -0.08 0.09 0.00 0.00 178.44 179.30 2pyo h GLU 63 N 1.15 -0.05 -0.08 1.13 4.57 0.44 0.36 114.58 122.10 2pyo h GLU 63 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2pyo h GLU 63 Cb 0.00 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2pyo h GLU 63 CO -0.05 -0.03 0.00 -0.07 -1.18 0.00 0.00 179.01 177.68 2pyo h LEU 64 N -0.05 0.14 -1.71 1.64 3.38 -1.10 -3.02 115.31 114.59 2pyo h LEU 64 Ca 0.04 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2pyo h LEU 64 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2pyo h LEU 64 CO -0.10 0.40 0.25 0.00 0.09 0.00 0.00 178.44 179.08 2pyo h ALA 65 N 0.74 1.87 -0.19 1.53 0.00 -0.69 -1.34 119.26 121.20 2pyo h ALA 65 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2pyo h ALA 65 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2pyo h ALA 65 CO 0.00 0.08 0.08 0.78 0.00 0.00 0.00 179.25 180.20 2pyo h GLY 66 N 0.38 0.29 1.01 0.00 0.00 -0.81 -1.74 103.07 102.20 2pyo h GLY 66 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2pyo h GLY 66 CO -0.03 0.14 0.41 3.43 0.00 0.00 0.00 176.54 180.49 2pyo h ASN 67 N 0.16 0.88 -0.28 0.19 2.35 -1.23 -2.10 115.58 115.55 2pyo h ASN 67 Ca 0.06 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2pyo h ASN 67 Cb 0.15 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2pyo h ASN 67 CO -0.01 0.71 0.18 0.00 -1.65 0.00 0.00 177.43 176.67 2pyo h ALA 68 N 1.21 1.79 0.00 -0.83 0.00 -1.03 -0.13 119.26 120.27 2pyo h ALA 68 Ca 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2pyo h ALA 68 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pyo h ALA 68 CO -0.04 0.19 -0.46 0.00 0.00 0.00 0.00 179.25 178.95 2pyo h ALA 69 N 1.82 0.92 0.00 0.00 0.00 -0.65 -3.01 119.26 118.33 2pyo h ALA 69 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pyo h ALA 69 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pyo h ALA 69 CO -0.02 0.57 -0.69 -0.09 0.00 0.00 0.00 179.25 179.02 2pyo h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -0.67 0.48 114.38 116.62 2pyo h ARG 70 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pyo h ARG 70 Cb 1.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2pyo h ARG 70 CO 0.06 0.00 -0.04 -0.25 -1.51 0.00 0.00 179.97 178.23 2pyo n ASP 71 N -2.74 0.44 -0.58 -3.80 8.00 -0.22 -2.58 116.55 115.07 2pyo n ASP 71 Ca 0.01 0.50 0.09 0.00 0.71 0.00 0.00 54.79 56.10 2pyo n ASP 71 Cb 0.53 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 2pyo n ASP 71 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2pyo n ASN 72 N -1.90 2.15 -2.68 -2.24 4.05 -1.15 -4.98 115.26 108.51 2pyo n ASN 72 Ca 0.06 -1.57 -0.13 0.00 0.45 0.00 0.00 54.58 53.39 2pyo n ASN 72 Cb 0.39 0.20 0.06 0.00 1.23 0.00 0.00 39.78 41.66 2pyo n ASN 72 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2pyo n LYS 73 N 0.54 -4.80 -4.19 1.20 4.76 -1.07 -5.04 118.16 109.56 2pyo n LYS 73 Ca 0.09 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 55.96 2pyo n LYS 73 Cb 0.41 -4.84 -0.11 0.00 -1.84 0.00 0.00 35.03 28.65 2pyo n LYS 73 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pyo s LYS 74 N -5.15 0.88 -0.20 1.97 1.02 0.17 -5.01 119.74 113.42 2pyo s LYS 74 Ca 0.09 -1.17 0.16 0.00 0.02 0.00 0.00 55.97 55.08 2pyo s LYS 74 Cb -0.04 -0.62 -0.24 0.00 -0.52 0.00 0.00 37.83 36.41 2pyo s LYS 74 CO 0.51 0.10 0.08 2.41 -0.92 0.00 0.00 175.35 177.53 2pyo n THR 75 N 0.58 1.41 -3.69 2.17 -1.04 -1.26 -3.77 114.28 108.68 2pyo n THR 75 Ca -0.16 -0.83 -0.37 0.00 -2.04 0.00 0.00 64.05 60.65 2pyo n THR 75 Cb 0.57 -0.57 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2pyo n THR 75 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2pyo s ARG 76 N -2.50 3.87 0.08 -2.82 3.52 -1.26 -5.02 118.95 114.81 2pyo s ARG 76 Ca -0.12 -0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 54.81 2pyo s ARG 76 Cb 0.06 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 2pyo s ARG 76 CO 0.81 -0.11 1.55 0.42 -0.81 0.00 0.00 175.30 177.15 2pyo s ILE 77 N 1.51 3.14 0.37 4.11 1.01 -1.26 -4.98 121.20 125.11 2pyo s ILE 77 Ca 0.06 0.67 0.08 0.00 0.00 0.00 0.00 60.65 61.47 2pyo s ILE 77 Cb -0.15 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 2pyo s ILE 77 CO 0.07 0.01 -0.04 0.27 0.00 0.00 0.00 174.94 175.25 2pyo s ILE 78 N 2.11 2.11 0.46 2.92 -4.36 -1.26 -5.02 121.20 118.16 2pyo s ILE 78 Ca 0.70 -2.11 0.25 0.00 -0.26 0.00 0.00 60.65 59.23 2pyo s ILE 78 Cb -0.38 -2.81 0.44 0.00 1.25 0.00 0.00 42.46 40.96 2pyo s ILE 78 CO 0.31 -0.11 1.81 -0.65 0.24 0.00 0.00 174.94 176.54 2pyo h PRO 79 N 1.91 0.23 -0.64 0.37 0.11 -1.89 0.24 132.00 132.34 2pyo h PRO 79 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2pyo h PRO 79 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2pyo h PRO 79 CO 0.75 0.15 0.18 -0.09 -0.21 0.00 0.00 178.00 178.79 2pyo h ARG 80 N 0.24 0.99 -0.49 1.05 9.65 -1.81 -1.36 114.38 122.65 2pyo h ARG 80 Ca 0.54 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 59.20 2pyo h ARG 80 Cb 1.68 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 30.09 2pyo h ARG 80 CO -0.17 0.86 0.23 0.45 2.80 0.00 0.00 179.97 184.14 2pyo h HIS 81 N 0.95 0.71 -0.62 2.20 3.86 -0.87 -1.58 115.15 119.80 2pyo h HIS 81 Ca 0.21 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2pyo h HIS 81 Cb 0.30 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2pyo h HIS 81 CO 0.02 0.57 0.30 -0.07 0.86 0.00 0.00 177.93 179.61 2pyo h LEU 82 N 0.64 0.82 0.39 2.43 3.38 -1.26 -2.04 115.31 119.66 2pyo h LEU 82 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pyo h LEU 82 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pyo h LEU 82 CO -0.02 0.72 -0.22 -0.61 0.09 0.00 0.00 178.44 178.40 2pyo h GLN 83 N 0.86 -0.55 -0.62 1.13 5.75 -0.91 -0.76 115.11 120.02 2pyo h GLN 83 Ca 0.21 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.81 2pyo h GLN 83 Cb 0.12 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.74 2pyo h GLN 83 CO -0.03 -0.36 0.32 -0.07 -2.65 0.00 0.00 178.83 176.04 2pyo h LEU 84 N -0.57 0.46 -0.57 -2.39 3.38 -1.19 0.57 115.31 115.00 2pyo h LEU 84 Ca -0.05 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2pyo h LEU 84 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2pyo h LEU 84 CO 0.06 0.30 -0.24 0.00 0.09 0.00 0.00 178.44 178.65 2pyo h ALA 85 N 1.34 0.76 -0.03 1.53 0.00 -1.29 -2.10 119.26 119.47 2pyo h ALA 85 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2pyo h ALA 85 Cb 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pyo h ALA 85 CO -0.19 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 2pyo h ILE 86 N 0.77 1.34 0.00 0.00 2.04 -0.66 -2.79 117.51 118.20 2pyo h ILE 86 Ca 0.10 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2pyo h ILE 86 Cb 0.79 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2pyo h ILE 86 CO 0.07 0.27 0.00 0.03 0.00 0.00 0.00 178.15 178.52 2pyo h ARG 87 N -0.35 0.00 -0.00 2.37 2.47 -0.95 -2.86 114.38 115.06 2pyo h ARG 87 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2pyo h ARG 87 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2pyo h ARG 87 CO 0.00 0.00 -0.41 0.09 0.56 0.00 0.00 179.97 180.22 2pyo n ASN 88 N -2.51 0.46 -4.59 7.04 3.02 -0.79 -4.77 115.26 113.13 2pyo n ASN 88 Ca 0.03 -0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.01 2pyo n ASN 88 Cb 0.35 0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 2pyo n ASN 88 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pyo s ASP 89 N -2.95 5.94 0.17 6.41 2.15 -1.06 -5.00 116.67 122.32 2pyo s ASP 89 Ca 0.13 -0.01 -0.15 0.00 0.43 0.00 0.00 52.55 52.95 2pyo s ASP 89 Cb 0.18 -2.09 0.10 0.00 -0.30 0.00 0.00 42.92 40.81 2pyo s ASP 89 CO 0.66 -0.02 1.74 -0.08 -0.17 0.00 0.00 175.17 177.29 2pyo h GLU 90 N 8.18 0.25 -0.12 4.34 4.81 -1.86 -0.25 114.58 129.93 2pyo h GLU 90 Ca -0.36 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 2pyo h GLU 90 Cb 1.18 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.52 2pyo h GLU 90 CO 0.57 0.16 -0.62 0.93 -0.73 0.00 0.00 179.01 179.33 2pyo h GLU 91 N 0.26 0.63 0.00 1.92 5.08 -1.94 -2.57 114.58 117.95 2pyo h GLU 91 Ca 0.19 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2pyo h GLU 91 Cb 0.21 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2pyo h GLU 91 CO -0.22 1.14 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.45 2pyo h LEU 92 N 0.28 0.00 -0.63 1.33 3.38 -1.81 -2.17 115.31 115.68 2pyo h LEU 92 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2pyo h LEU 92 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2pyo h LEU 92 CO 0.13 0.40 -0.53 -1.13 0.09 0.00 0.00 178.44 177.40 2pyo h ASN 93 N 0.00 0.47 -0.11 -0.43 -1.24 -0.97 -2.09 115.58 111.21 2pyo h ASN 93 Ca -0.00 -0.24 -0.12 0.00 0.71 0.00 0.00 56.30 56.64 2pyo h ASN 93 Cb 0.71 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.63 2pyo h ASN 93 CO 0.05 0.91 -0.42 0.50 -1.29 0.00 0.00 177.43 177.19 2pyo h LYS 94 N 0.33 0.48 -0.74 6.67 3.64 -1.15 -0.23 116.57 125.57 2pyo h LYS 94 Ca 0.01 -0.37 0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2pyo h LYS 94 Cb 1.04 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 2pyo h LYS 94 CO 0.09 0.99 0.49 1.25 -2.27 0.00 0.00 179.45 180.00 2pyo h LEU 95 N 0.06 0.57 -3.30 5.20 5.85 -1.36 -2.39 115.31 119.95 2pyo h LEU 95 Ca -0.02 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2pyo h LEU 95 Cb 1.05 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 2pyo h LEU 95 CO 0.09 0.34 -0.05 0.18 -0.34 0.00 0.00 178.44 178.66 2pyo n LEU 96 N -4.50 3.94 0.29 2.25 4.77 -0.79 -4.71 117.00 118.25 2pyo n LEU 96 Ca 0.12 -3.48 0.17 0.00 -0.03 0.00 0.00 56.01 52.79 2pyo n LEU 96 Cb 0.34 -0.59 0.95 0.00 -2.33 0.00 0.00 43.42 41.79 2pyo n LEU 96 CO 0.33 1.03 1.14 0.77 -1.33 0.00 0.00 177.39 179.32 2pyo h SER 97 N 1.20 0.00 -0.50 -1.43 4.64 -0.49 -0.80 113.55 116.16 2pyo h SER 97 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2pyo h SER 97 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2pyo h SER 97 CO 0.31 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2pyo n GLY 98 N -1.30 1.66 3.83 -0.77 0.00 -1.26 -4.95 105.19 102.40 2pyo n GLY 98 Ca -0.02 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2pyo n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyo s VAL 99 N -1.33 5.12 -0.14 1.61 1.01 -0.31 -5.10 120.40 121.25 2pyo s VAL 99 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2pyo s VAL 99 Cb 0.21 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2pyo s VAL 99 CO 0.29 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.89 2pyo s THR 100 N -1.10 3.19 -0.49 3.92 2.01 -1.26 -5.07 115.64 116.84 2pyo s THR 100 Ca 0.19 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 2pyo s THR 100 Cb -0.12 -2.36 0.08 0.00 0.01 0.00 0.00 72.50 70.10 2pyo s THR 100 CO 0.09 0.51 0.45 -0.63 -0.69 0.00 0.00 174.62 174.35 2pyo s ILE 101 N 0.48 5.17 0.16 1.82 1.01 -1.26 -5.04 121.20 123.54 2pyo s ILE 101 Ca -0.08 -1.03 -0.33 0.00 0.00 0.00 0.00 60.65 59.21 2pyo s ILE 101 Cb -0.15 -4.19 -0.16 0.00 0.01 0.00 0.00 42.46 37.97 2pyo s ILE 101 CO 0.04 -0.66 1.05 0.00 0.00 0.00 0.00 174.94 175.37 2pyo n ALA 102 N 5.38 -1.37 -1.84 9.38 0.00 -1.26 -0.51 120.51 130.29 2pyo n ALA 102 Ca -0.12 0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 2pyo n ALA 102 Cb 0.43 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 2pyo n ALA 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pyo n GLN 103 N 1.55 -1.47 0.04 0.00 1.13 -1.26 -4.86 117.38 112.50 2pyo n GLN 103 Ca 0.16 1.14 -0.03 0.00 -1.94 0.00 0.00 57.00 56.33 2pyo n GLN 103 Cb 0.23 -5.59 -0.09 0.00 0.11 0.00 0.00 30.24 24.91 2pyo n GLN 103 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2pyo h GLY 104 N 0.00 0.00 0.00 1.08 0.00 -1.04 -3.32 103.07 99.79 2pyo h GLY 104 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2pyo h GLY 104 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2pyo n GLY 105 N 1.41 -0.38 3.40 4.60 0.00 -1.26 -4.58 105.19 108.37 2pyo n GLY 105 Ca -0.08 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 2pyo n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pyo s VAL 106 N 0.00 0.95 0.11 1.61 -7.23 -1.26 -5.02 120.40 109.57 2pyo s VAL 106 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2pyo s VAL 106 Cb 0.00 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 2pyo s VAL 106 CO 0.00 0.00 1.08 -0.76 -0.31 0.00 0.00 175.10 175.11 2pyo s LEU 107 N -3.42 4.45 0.23 1.32 1.43 -1.26 -4.97 118.68 116.45 2pyo s LEU 107 Ca 0.37 1.97 -0.32 0.00 -1.03 0.00 0.00 54.13 55.12 2pyo s LEU 107 Cb 0.08 -3.59 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 2pyo s LEU 107 CO 0.15 -0.26 1.70 -2.84 0.23 0.00 0.00 176.35 175.33 2pyo s PRO 108 N 0.22 4.12 -0.30 1.29 0.02 -1.26 -4.91 135.00 134.18 2pyo s PRO 108 Ca 0.52 2.61 -0.12 0.00 0.02 0.00 0.00 61.00 64.02 2pyo s PRO 108 Cb -0.27 -3.06 0.15 0.00 0.02 0.00 0.00 34.50 31.34 2pyo s PRO 108 CO 0.32 -0.73 0.86 1.21 -0.33 0.00 0.00 177.00 178.32 2pyo s ASN 109 N 1.03 -0.81 -0.12 2.53 3.04 -1.26 -5.15 114.94 114.21 2pyo s ASN 109 Ca 0.72 1.04 0.02 0.00 0.04 0.00 0.00 52.86 54.69 2pyo s ASN 109 Cb -0.49 1.89 0.01 0.00 -1.54 0.00 0.00 41.25 41.12 2pyo s ASN 109 CO 0.36 -0.15 -0.19 -0.63 -3.04 0.00 0.00 177.10 173.44 2pyo s ILE 110 N 2.65 1.79 0.12 -5.21 1.01 -1.26 -5.10 121.20 115.20 2pyo s ILE 110 Ca -0.02 -0.83 -0.32 0.00 0.00 0.00 0.00 60.65 59.47 2pyo s ILE 110 Cb -0.09 -1.60 -0.12 0.00 0.01 0.00 0.00 42.46 40.66 2pyo s ILE 110 CO -0.18 0.50 1.76 0.00 0.00 0.00 0.00 174.94 177.02 2pyo n GLN 111 N 4.05 2.55 -0.33 2.79 1.13 -1.26 -4.87 117.38 121.44 2pyo n GLN 111 Ca -0.20 0.92 0.15 0.00 -1.94 0.00 0.00 57.00 55.94 2pyo n GLN 111 Cb 0.52 -2.77 0.35 0.00 0.11 0.00 0.00 30.24 28.44 2pyo n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pyo h ALA 112 N 7.69 1.62 0.00 -1.58 0.00 -1.98 0.47 119.26 125.48 2pyo h ALA 112 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pyo h ALA 112 Cb 1.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2pyo h ALA 112 CO 0.93 -0.30 0.00 -0.24 0.00 0.00 0.00 179.25 179.64 2pyo h VAL 113 N 0.50 0.00 0.00 0.00 3.04 -1.89 -1.76 116.25 116.13 2pyo h VAL 113 Ca 0.60 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 2pyo h VAL 113 Cb 1.14 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2pyo h VAL 113 CO -0.50 0.00 -0.39 0.18 -1.01 0.00 0.00 177.57 175.85 2pyo n LEU 114 N -2.93 0.69 -4.80 3.16 4.77 0.15 -4.57 117.00 113.47 2pyo n LEU 114 Ca -0.02 0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.97 2pyo n LEU 114 Cb 0.11 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2pyo n LEU 114 CO 0.20 -0.08 0.72 -0.76 -1.33 0.00 0.00 177.39 176.14 2pyo s LEU 115 N -4.18 3.40 0.21 2.23 1.43 -0.67 -4.97 118.68 116.15 2pyo s LEU 115 Ca 0.08 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 2pyo s LEU 115 Cb 0.14 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.66 2pyo s LEU 115 CO 0.67 -1.33 0.49 -2.65 0.23 0.00 0.00 176.35 173.76 2pyo n PRO 116 N -2.33 0.00 -2.44 1.29 -0.02 -1.26 -4.51 135.00 125.74 2pyo n PRO 116 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 2pyo n PRO 116 Cb 0.53 -1.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.02 2pyo n PRO 116 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2pyo n LYS 117 N 1.02 -1.66 0.00 -0.52 4.81 -1.26 -4.80 118.16 115.76 2pyo n LYS 117 Ca 0.18 1.63 0.00 0.00 -0.87 0.00 0.00 58.31 59.25 2pyo n LYS 117 Cb 0.26 -4.41 0.00 0.00 0.02 0.00 0.00 35.03 30.90 2pyo n LYS 117 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2pyo n LYS 118 N -0.37 0.00 0.00 1.64 5.02 -1.26 -5.18 118.16 118.01 2pyo n LYS 118 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2pyo n LYS 118 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 2pyo n LYS 118 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51