#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo s LYS 14 N 0.00 0.06 0.86 0.00 2.20 -1.26 -5.17 119.74 116.44 2pyo s LYS 14 Ca 0.00 0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 55.60 2pyo s LYS 14 Cb 0.00 0.06 0.09 0.00 -1.51 0.00 0.00 37.83 36.47 2pyo s LYS 14 CO 0.00 -0.07 0.99 -1.13 -0.36 0.00 0.00 175.35 174.78 2pyo n SER 15 N 5.49 0.07 0.18 1.43 3.41 -1.26 -4.73 113.62 118.20 2pyo n SER 15 Ca -0.09 0.49 0.02 0.00 -0.26 0.00 0.00 58.87 59.03 2pyo n SER 15 Cb 0.55 -1.42 0.34 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.32 0.02 -0.08 4.33 3.08 -1.99 0.20 114.38 118.62 2pyo h ARG 16 Ca -0.45 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 2pyo h ARG 16 Cb 1.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 2pyo h ARG 16 CO 0.42 0.40 0.03 0.77 -1.07 0.00 0.00 179.97 180.52 2pyo h SER 17 N 0.02 0.11 -0.26 7.04 0.02 -1.86 0.39 113.55 119.01 2pyo h SER 17 Ca -0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2pyo h SER 17 Cb 0.69 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2pyo h SER 17 CO 0.05 0.25 0.15 -1.13 -1.14 0.00 0.00 176.83 175.01 2pyo h ASN 18 N -0.04 0.32 -0.10 3.07 -1.24 -1.64 0.64 115.58 116.60 2pyo h ASN 18 Ca 0.03 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 56.99 2pyo h ASN 18 Cb 0.18 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 2pyo h ASN 18 CO -0.00 0.30 0.08 -0.09 -1.29 0.00 0.00 177.43 176.43 2pyo h ARG 19 N 0.32 0.00 -0.01 6.67 2.43 -0.35 0.33 114.38 123.77 2pyo h ARG 19 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2pyo h ARG 19 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2pyo h ARG 19 CO -0.02 0.00 -0.40 0.00 -1.51 0.00 0.00 179.97 178.05 2pyo n ALA 20 N -2.49 3.39 -2.89 2.80 0.00 0.14 -4.96 120.51 116.49 2pyo n ALA 20 Ca -0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2pyo n ALA 20 Cb 0.19 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.72 2pyo n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyo n GLY 21 N 1.39 0.30 3.29 0.00 0.00 0.19 -5.04 105.19 105.33 2pyo n GLY 21 Ca 0.10 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.54 2.42 -0.12 0.99 1.43 0.42 -5.01 118.68 115.27 2pyo s LEU 22 Ca 0.22 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.33 2pyo s LEU 22 Cb -0.10 -0.71 -0.26 0.00 0.03 0.00 0.00 46.19 45.15 2pyo s LEU 22 CO 0.28 -0.08 0.48 1.56 0.23 0.00 0.00 176.35 178.82 2pyo h GLN 23 N 3.39 0.20 -6.85 1.70 1.08 -1.95 -3.37 115.11 109.31 2pyo h GLN 23 Ca -0.41 -0.34 -0.53 0.00 -1.45 0.00 0.00 58.65 55.92 2pyo h GLN 23 Cb 1.20 0.13 0.09 0.00 -0.05 0.00 0.00 27.48 28.84 2pyo h GLN 23 CO 0.50 1.16 0.81 -0.06 -0.95 0.00 0.00 178.83 180.30 2pyo s PHE 24 N -2.46 2.76 -0.57 2.96 0.40 -1.26 -4.89 117.98 114.92 2pyo s PHE 24 Ca -0.22 1.00 -0.26 0.00 -0.60 0.00 0.00 56.93 56.85 2pyo s PHE 24 Cb 0.05 -3.99 -0.06 0.00 0.51 0.00 0.00 43.02 39.53 2pyo s PHE 24 CO 0.73 -3.12 2.19 -1.25 0.70 0.00 0.00 175.22 174.48 2pyo s PRO 25 N -1.13 2.27 0.13 0.24 0.04 -1.26 -4.77 135.00 130.52 2pyo s PRO 25 Ca 0.58 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 2pyo s PRO 25 Cb -0.46 -4.55 -0.03 0.00 0.04 0.00 0.00 34.50 29.50 2pyo s PRO 25 CO 0.53 -3.17 1.74 0.28 0.04 0.00 0.00 177.00 176.42 2pyo h VAL 26 N 7.39 1.12 -0.28 -0.36 2.07 -1.90 -2.25 116.25 122.04 2pyo h VAL 26 Ca -0.22 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2pyo h VAL 26 Cb 1.20 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 2pyo h VAL 26 CO 1.17 0.12 0.06 1.23 0.02 0.00 0.00 177.57 180.17 2pyo h GLY 27 N 0.39 0.32 1.10 2.17 0.00 -1.94 -1.01 103.07 104.10 2pyo h GLY 27 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2pyo h GLY 27 CO -0.02 -0.01 0.24 -0.09 0.00 0.00 0.00 176.54 176.66 2pyo h ARG 28 N 0.16 1.13 -0.20 4.80 2.43 -1.95 -1.27 114.38 119.47 2pyo h ARG 28 Ca 0.13 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2pyo h ARG 28 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2pyo h ARG 28 CO -0.17 0.95 -0.27 0.82 -1.51 0.00 0.00 179.97 179.79 2pyo h ILE 29 N 1.08 1.26 -0.46 1.20 2.04 -1.16 0.24 117.51 121.71 2pyo h ILE 29 Ca 0.24 -1.25 -0.12 0.00 1.00 0.00 0.00 64.86 64.73 2pyo h ILE 29 Cb 0.29 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2pyo h ILE 29 CO -0.01 0.39 -0.19 -0.74 0.00 0.00 0.00 178.15 177.60 2pyo h HIS 30 N 0.34 1.09 -0.14 1.37 2.76 -0.74 0.49 115.15 120.32 2pyo h HIS 30 Ca 0.05 -0.26 -0.03 0.00 -2.20 0.00 0.00 60.37 57.93 2pyo h HIS 30 Cb 0.65 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 2pyo h HIS 30 CO 0.02 1.07 -0.04 -0.09 -1.30 0.00 0.00 177.93 177.58 2pyo h ARG 31 N 0.79 0.28 -0.63 5.26 2.43 -0.74 -2.22 114.38 119.55 2pyo h ARG 31 Ca 0.11 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2pyo h ARG 31 Cb 0.76 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2pyo h ARG 31 CO 0.06 0.58 0.42 -0.07 -1.51 0.00 0.00 179.97 179.45 2pyo h LEU 32 N -0.04 0.56 -0.72 3.80 3.38 -0.40 0.22 115.31 122.10 2pyo h LEU 32 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2pyo h LEU 32 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2pyo h LEU 32 CO 0.02 0.37 -0.16 -0.07 0.09 0.00 0.00 178.44 178.68 2pyo h LEU 33 N 0.64 0.81 -0.12 1.67 3.38 -0.64 -1.98 115.31 119.08 2pyo h LEU 33 Ca 0.27 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2pyo h LEU 33 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pyo h LEU 33 CO -0.08 0.97 -0.21 0.03 0.09 0.00 0.00 178.44 179.24 2pyo h ARG 34 N 0.72 0.35 0.00 1.13 3.08 -0.44 -3.20 114.38 116.03 2pyo h ARG 34 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2pyo h ARG 34 Cb 0.67 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2pyo h ARG 34 CO 0.05 0.81 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.45 2pyo h LYS 35 N -0.07 0.00 0.00 0.04 3.64 -0.62 -3.16 116.57 116.41 2pyo h LYS 35 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2pyo h LYS 35 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2pyo h LYS 35 CO 0.05 0.08 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 2pyo n GLY 36 N -0.38 -1.30 3.00 5.01 0.00 -0.75 -4.94 105.19 105.83 2pyo n GLY 36 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.38 -4.05 -0.06 1.61 5.03 -1.19 -4.95 115.26 110.27 2pyo n ASN 37 Ca 0.10 -0.56 -0.01 0.00 0.87 0.00 0.00 54.58 54.98 2pyo n ASN 37 Cb 0.26 -4.43 -0.16 0.00 -1.02 0.00 0.00 39.78 34.43 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 -3.28 0.00 -3.64 3.10 4.02 -1.26 -5.03 117.16 111.08 2pyo n TYR 38 Ca -0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.68 2pyo n TYR 38 Cb 0.62 -0.78 -0.02 0.00 -0.02 0.00 0.00 39.34 39.14 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 -2.93 -1.70 0.13 -0.72 0.00 -1.26 -5.04 121.76 110.23 2pyo s ALA 39 Ca -0.09 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 2pyo s ALA 39 Cb 0.09 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2pyo s ALA 39 CO 0.86 -0.88 1.54 0.93 0.00 0.00 0.00 175.76 178.21 2pyo h GLU 40 N 2.00 0.78 -6.77 0.00 4.39 -1.99 -3.45 114.58 109.55 2pyo h GLU 40 Ca -0.24 -0.30 -0.68 0.00 0.34 0.00 0.00 59.36 58.49 2pyo h GLU 40 Cb 1.24 -0.05 -0.20 0.00 -0.10 0.00 0.00 28.75 29.65 2pyo h GLU 40 CO 0.28 0.91 -0.82 1.03 -1.16 0.00 0.00 179.01 179.25 2pyo s ARG 41 N -4.80 1.70 -0.22 2.33 0.52 -1.26 -5.11 118.95 112.11 2pyo s ARG 41 Ca -0.12 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 53.85 2pyo s ARG 41 Cb 0.10 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.58 2pyo s ARG 41 CO 0.82 0.47 0.02 0.08 0.02 0.00 0.00 175.30 176.71 2pyo s VAL 42 N -1.12 0.82 0.65 3.52 1.01 -1.26 -5.07 120.40 118.96 2pyo s VAL 42 Ca 0.17 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2pyo s VAL 42 Cb -0.10 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2pyo s VAL 42 CO 0.09 -0.24 1.20 -0.83 0.00 0.00 0.00 175.10 175.32 2pyo s GLY 43 N 1.71 2.54 0.47 4.51 0.00 -1.26 -4.91 107.32 110.39 2pyo s GLY 43 Ca -0.01 0.92 0.22 0.00 0.00 0.00 0.00 44.72 45.86 2pyo s GLY 43 CO -0.10 1.32 1.91 0.00 0.00 0.00 0.00 173.10 176.23 2pyo h ALA 44 N 0.35 2.41 0.00 3.20 0.00 -2.03 -1.37 119.26 121.83 2pyo h ALA 44 Ca -0.49 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2pyo h ALA 44 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2pyo h ALA 44 CO 0.53 -0.65 -0.30 0.78 0.00 0.00 0.00 179.25 179.61 2pyo h GLY 45 N 0.22 0.00 0.37 0.00 0.00 -2.01 -3.37 103.07 98.27 2pyo h GLY 45 Ca 0.39 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.76 2pyo h GLY 45 CO -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.22 2pyo h ALA 46 N 1.70 -0.24 0.00 3.60 0.00 -1.60 -0.32 119.26 122.39 2pyo h ALA 46 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2pyo h ALA 46 Cb 1.21 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2pyo h ALA 46 CO 0.04 -0.71 -0.27 -1.00 0.00 0.00 0.00 179.25 177.31 2pyo h PRO 47 N -0.32 0.00 0.17 0.00 0.13 -1.72 -1.20 132.00 129.06 2pyo h PRO 47 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2pyo h PRO 47 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2pyo h PRO 47 CO -0.27 0.27 -0.08 0.28 -0.23 0.00 0.00 178.00 177.97 2pyo h VAL 48 N 0.00 0.95 -0.11 1.56 2.07 -1.53 0.11 116.25 119.30 2pyo h VAL 48 Ca -0.00 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2pyo h VAL 48 Cb 0.67 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2pyo h VAL 48 CO 0.04 0.17 -0.00 0.22 0.02 0.00 0.00 177.57 178.01 2pyo h TYR 49 N -0.62 -0.01 -0.62 1.57 3.20 -0.88 -1.03 116.97 118.59 2pyo h TYR 49 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2pyo h TYR 49 Cb 0.46 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2pyo h TYR 49 CO 0.04 -0.02 0.34 1.25 -1.64 0.00 0.00 178.16 178.14 2pyo h LEU 50 N 0.03 0.77 -1.29 2.82 5.85 -1.26 -1.63 115.31 120.61 2pyo h LEU 50 Ca 0.05 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2pyo h LEU 50 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2pyo h LEU 50 CO -0.09 0.64 0.40 0.00 -0.34 0.00 0.00 178.44 179.06 2pyo h ALA 51 N 1.16 1.47 -0.34 1.25 0.00 -0.71 -0.28 119.26 121.81 2pyo h ALA 51 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2pyo h ALA 51 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pyo h ALA 51 CO -0.04 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 2pyo h ALA 52 N 1.54 0.46 -0.56 0.00 0.00 -0.54 -1.43 119.26 118.73 2pyo h ALA 52 Ca 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pyo h ALA 52 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pyo h ALA 52 CO -0.05 0.24 0.04 0.28 0.00 0.00 0.00 179.25 179.77 2pyo h VAL 53 N 0.41 1.25 -0.05 0.00 2.07 -0.97 -0.07 116.25 118.89 2pyo h VAL 53 Ca 0.09 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2pyo h VAL 53 Cb 0.48 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2pyo h VAL 53 CO 0.02 0.37 0.02 0.24 0.02 0.00 0.00 177.57 178.24 2pyo h MET 54 N 0.86 0.07 -0.33 1.57 2.86 -0.91 -1.34 114.93 117.71 2pyo h MET 54 Ca 0.17 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2pyo h MET 54 Cb 0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2pyo h MET 54 CO 0.02 0.20 0.19 1.49 1.06 0.00 0.00 176.91 179.87 2pyo h GLU 55 N -0.08 0.45 -0.43 1.72 4.81 -1.15 -0.96 114.58 118.94 2pyo h GLU 55 Ca 0.02 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2pyo h GLU 55 Cb 0.16 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 2pyo h GLU 55 CO -0.00 0.37 0.05 -0.92 -0.73 0.00 0.00 179.01 177.78 2pyo h TYR 56 N 0.41 0.08 -0.58 0.92 3.20 -0.88 0.12 116.97 120.24 2pyo h TYR 56 Ca 0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2pyo h TYR 56 Cb 0.04 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2pyo h TYR 56 CO -0.03 -0.03 0.12 -0.07 -1.64 0.00 0.00 178.16 176.50 2pyo h LEU 57 N 0.17 0.90 -1.21 2.82 3.38 -0.85 -1.07 115.31 119.45 2pyo h LEU 57 Ca 0.21 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2pyo h LEU 57 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2pyo h LEU 57 CO -0.31 0.92 -0.14 0.00 0.09 0.00 0.00 178.44 179.00 2pyo h ALA 58 N 1.02 1.34 -0.30 1.53 0.00 -0.73 -2.51 119.26 119.61 2pyo h ALA 58 Ca 0.18 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2pyo h ALA 58 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pyo h ALA 58 CO 0.01 0.44 -0.50 0.00 0.00 0.00 0.00 179.25 179.20 2pyo h ALA 59 N 1.51 0.53 0.31 0.00 0.00 -0.30 -1.15 119.26 120.16 2pyo h ALA 59 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2pyo h ALA 59 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pyo h ALA 59 CO 0.03 0.68 -0.15 1.49 0.00 0.00 0.00 179.25 181.30 2pyo h GLU 60 N 0.67 -0.40 -0.42 0.00 4.57 -0.99 0.17 114.58 118.19 2pyo h GLU 60 Ca 0.03 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2pyo h GLU 60 Cb 1.10 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2pyo h GLU 60 CO 0.11 -0.26 0.24 0.28 -1.18 0.00 0.00 179.01 178.20 2pyo h VAL 61 N -0.41 1.15 -0.52 0.32 2.07 -1.47 -1.12 116.25 116.26 2pyo h VAL 61 Ca -0.04 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 2pyo h VAL 61 Cb 0.32 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2pyo h VAL 61 CO 0.07 0.15 -0.02 -0.07 0.02 0.00 0.00 177.57 177.72 2pyo h LEU 62 N 0.55 0.88 0.44 2.57 3.38 -1.11 0.70 115.31 122.72 2pyo h LEU 62 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pyo h LEU 62 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2pyo h LEU 62 CO -0.03 0.95 -0.33 -0.08 0.09 0.00 0.00 178.44 179.04 2pyo h GLU 63 N 0.83 -0.74 -0.52 1.13 4.57 -0.30 0.34 114.58 119.90 2pyo h GLU 63 Ca 0.15 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2pyo h GLU 63 Cb 0.52 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2pyo h GLU 63 CO 0.03 -0.49 0.34 -0.07 -1.18 0.00 0.00 179.01 177.64 2pyo h LEU 64 N -0.76 0.58 -0.30 1.64 3.38 -0.89 -2.27 115.31 116.69 2pyo h LEU 64 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2pyo h LEU 64 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pyo h LEU 64 CO 0.01 0.42 0.11 0.00 0.09 0.00 0.00 178.44 179.07 2pyo h ALA 65 N 1.19 0.40 -0.92 1.53 0.00 0.65 -1.17 119.26 120.94 2pyo h ALA 65 Ca 0.19 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2pyo h ALA 65 Cb -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2pyo h ALA 65 CO -0.05 0.01 0.54 0.78 0.00 0.00 0.00 179.25 180.53 2pyo h GLY 66 N 0.34 1.51 1.16 0.00 0.00 -0.17 0.55 103.07 106.46 2pyo h GLY 66 Ca 0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2pyo h GLY 66 CO -0.01 0.06 -0.18 3.43 0.00 0.00 0.00 176.54 179.84 2pyo h ASN 67 N 0.81 0.98 -0.74 0.19 2.35 -0.78 -1.74 115.58 116.65 2pyo h ASN 67 Ca 0.48 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2pyo h ASN 67 Cb 0.57 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2pyo h ASN 67 CO -0.31 1.13 0.29 0.00 -1.65 0.00 0.00 177.43 176.90 2pyo h ALA 68 N 0.94 0.96 -0.47 -0.83 0.00 -0.04 0.89 119.26 120.70 2pyo h ALA 68 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pyo h ALA 68 Cb 0.75 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pyo h ALA 68 CO 0.06 0.59 0.29 0.00 0.00 0.00 0.00 179.25 180.19 2pyo h ALA 69 N 1.14 1.63 -0.25 0.00 0.00 -0.74 -1.56 119.26 119.48 2pyo h ALA 69 Ca 0.25 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2pyo h ALA 69 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pyo h ALA 69 CO -0.02 0.33 -0.42 -0.09 0.00 0.00 0.00 179.25 179.06 2pyo h ARG 70 N 0.65 0.73 -0.44 0.00 2.43 -0.19 0.13 114.38 117.69 2pyo h ARG 70 Ca 0.17 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2pyo h ARG 70 Cb -0.04 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2pyo h ARG 70 CO -0.03 1.07 0.24 -0.44 -1.51 0.00 0.00 179.97 179.29 2pyo h ASP 71 N 0.46 0.53 -0.30 -3.80 3.32 -0.24 -1.06 116.42 115.34 2pyo h ASP 71 Ca 0.02 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pyo h ASP 71 Cb 1.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2pyo h ASP 71 CO 0.10 0.43 0.00 -3.20 -1.72 0.00 0.00 179.24 174.85 2pyo n ASN 72 N -4.42 1.78 -2.53 6.45 4.05 -0.65 -4.92 115.26 115.02 2pyo n ASN 72 Ca 0.03 -1.92 -0.17 0.00 0.45 0.00 0.00 54.58 52.97 2pyo n ASN 72 Cb 0.10 -0.20 0.04 0.00 1.23 0.00 0.00 39.78 40.95 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 0.45 -4.67 -4.44 1.20 5.02 -0.40 -5.02 118.16 110.30 2pyo n LYS 73 Ca 0.13 0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 2pyo n LYS 73 Cb 0.30 -5.06 -0.13 0.00 -0.02 0.00 0.00 35.03 30.12 2pyo n LYS 73 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pyo s LYS 74 N -5.65 1.52 0.00 1.97 -0.14 0.41 -5.02 119.74 112.83 2pyo s LYS 74 Ca 0.32 -1.29 0.18 0.00 -1.36 0.00 0.00 55.97 53.82 2pyo s LYS 74 Cb -0.14 -1.95 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 2pyo s LYS 74 CO 0.39 0.46 0.95 0.25 -0.76 0.00 0.00 175.35 176.65 2pyo n THR 75 N 1.00 0.00 -4.57 2.17 -2.24 -1.26 -3.90 114.28 105.48 2pyo n THR 75 Ca -0.17 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 2pyo n THR 75 Cb 0.53 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.86 2pyo n THR 75 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pyo s ARG 76 N -2.00 3.38 -0.05 -0.78 3.52 -1.26 -5.06 118.95 116.70 2pyo s ARG 76 Ca 0.16 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 2pyo s ARG 76 Cb 0.15 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 2pyo s ARG 76 CO 0.42 0.12 1.17 0.42 -0.81 0.00 0.00 175.30 176.62 2pyo s ILE 77 N 0.60 4.31 0.41 4.11 1.01 -1.26 -4.94 121.20 125.44 2pyo s ILE 77 Ca -0.07 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.28 2pyo s ILE 77 Cb -0.15 -4.05 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2pyo s ILE 77 CO 0.03 0.02 0.06 0.27 0.00 0.00 0.00 174.94 175.31 2pyo s ILE 78 N 2.03 2.06 0.28 2.92 -4.36 -1.26 -5.03 121.20 117.84 2pyo s ILE 78 Ca 0.55 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2pyo s ILE 78 Cb -0.24 -2.97 0.29 0.00 1.25 0.00 0.00 42.46 40.79 2pyo s ILE 78 CO 0.22 0.00 1.67 -0.65 0.24 0.00 0.00 174.94 176.42 2pyo h PRO 79 N 1.66 0.27 -0.66 0.37 0.11 -1.88 -0.85 132.00 131.02 2pyo h PRO 79 Ca -0.44 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.78 2pyo h PRO 79 Cb 1.25 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 2pyo h PRO 79 CO 0.78 0.18 0.22 -0.09 -0.21 0.00 0.00 178.00 178.87 2pyo h ARG 80 N 0.28 0.36 -0.80 1.05 9.65 -1.80 0.79 114.38 123.90 2pyo h ARG 80 Ca 0.54 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.38 2pyo h ARG 80 Cb 1.06 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 2pyo h ARG 80 CO -0.59 0.23 0.43 0.45 2.80 0.00 0.00 179.97 183.29 2pyo h HIS 81 N 0.37 1.11 -0.36 2.20 3.86 -1.51 0.26 115.15 121.08 2pyo h HIS 81 Ca 0.35 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 2pyo h HIS 81 Cb 0.50 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2pyo h HIS 81 CO -0.20 0.78 0.14 -0.07 0.86 0.00 0.00 177.93 179.44 2pyo h LEU 82 N 1.12 0.51 0.04 2.43 3.38 -1.01 -1.71 115.31 120.07 2pyo h LEU 82 Ca 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pyo h LEU 82 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2pyo h LEU 82 CO -0.04 0.55 -0.02 -0.61 0.09 0.00 0.00 178.44 178.40 2pyo h GLN 83 N 0.44 -0.05 -0.18 1.13 5.75 -0.44 -1.34 115.11 120.40 2pyo h GLN 83 Ca 0.12 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2pyo h GLN 83 Cb 0.21 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.71 2pyo h GLN 83 CO -0.01 0.07 -0.21 -0.07 -2.65 0.00 0.00 178.83 175.97 2pyo h LEU 84 N -0.17 -0.65 -0.67 -2.39 3.38 -0.34 -0.34 115.31 114.13 2pyo h LEU 84 Ca -0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2pyo h LEU 84 Cb 0.15 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2pyo h LEU 84 CO 0.01 -0.25 0.39 0.00 0.09 0.00 0.00 178.44 178.68 2pyo h ALA 85 N 0.81 0.85 -0.36 1.53 0.00 -1.23 -1.88 119.26 118.98 2pyo h ALA 85 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2pyo h ALA 85 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pyo h ALA 85 CO -0.32 0.34 0.07 0.82 0.00 0.00 0.00 179.25 180.16 2pyo h ILE 86 N 0.91 1.23 0.00 0.00 2.04 -0.95 -2.65 117.51 118.09 2pyo h ILE 86 Ca 0.24 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2pyo h ILE 86 Cb -0.01 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2pyo h ILE 86 CO -0.04 0.27 0.00 0.03 0.00 0.00 0.00 178.15 178.41 2pyo h ARG 87 N 0.43 0.00 0.00 2.37 2.47 -0.86 -2.94 114.38 115.86 2pyo h ARG 87 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2pyo h ARG 87 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2pyo h ARG 87 CO 0.00 0.00 -0.56 0.09 0.56 0.00 0.00 179.97 180.07 2pyo n ASN 88 N -3.08 0.55 -4.48 7.04 3.02 -0.72 -4.72 115.26 112.87 2pyo n ASN 88 Ca 0.02 -0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.03 2pyo n ASN 88 Cb 0.39 0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.72 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 -3.44 6.19 0.32 6.41 2.15 -1.01 -4.97 116.67 122.33 2pyo s ASP 89 Ca 0.09 -0.71 0.10 0.00 0.43 0.00 0.00 52.55 52.46 2pyo s ASP 89 Cb 0.16 -2.22 0.91 0.00 -0.30 0.00 0.00 42.92 41.46 2pyo s ASP 89 CO 0.71 -0.59 1.71 -0.08 -0.17 0.00 0.00 175.17 176.74 2pyo h GLU 90 N 8.74 0.47 0.21 4.34 4.81 -1.84 0.87 114.58 132.18 2pyo h GLU 90 Ca -0.26 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.60 2pyo h GLU 90 Cb 1.11 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.41 2pyo h GLU 90 CO 0.80 0.31 -1.59 0.93 -0.73 0.00 0.00 179.01 178.74 2pyo h GLU 91 N 0.49 0.45 -0.18 1.92 5.08 -1.93 -2.92 114.58 117.49 2pyo h GLU 91 Ca 0.65 -0.77 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2pyo h GLU 91 Cb 1.31 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2pyo h GLU 91 CO -0.52 1.36 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.63 2pyo h LEU 92 N 0.12 0.28 -0.76 1.33 3.38 -1.72 -1.50 115.31 116.45 2pyo h LEU 92 Ca -0.29 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.49 2pyo h LEU 92 Cb 2.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 2pyo h LEU 92 CO 0.23 0.46 -0.51 -1.13 0.09 0.00 0.00 178.44 177.58 2pyo h ASN 93 N 0.28 0.31 0.04 -0.43 -1.24 -0.66 -2.20 115.58 111.67 2pyo h ASN 93 Ca 0.05 -0.15 -0.26 0.00 0.71 0.00 0.00 56.30 56.65 2pyo h ASN 93 Cb 0.44 -0.09 0.02 0.00 0.73 0.00 0.00 38.32 39.42 2pyo h ASN 93 CO 0.03 0.77 -1.01 0.50 -1.29 0.00 0.00 177.43 176.43 2pyo h LYS 94 N 0.22 0.67 -0.26 6.67 3.64 -1.25 -0.71 116.57 125.55 2pyo h LYS 94 Ca 0.01 -0.70 -0.03 0.00 -1.27 0.00 0.00 60.65 58.65 2pyo h LYS 94 Cb 0.98 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2pyo h LYS 94 CO 0.08 1.29 0.02 1.25 -2.27 0.00 0.00 179.45 179.82 2pyo h LEU 95 N 0.39 0.35 -3.23 5.20 5.85 -1.23 -2.80 115.31 119.84 2pyo h LEU 95 Ca -0.12 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2pyo h LEU 95 Cb 1.65 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.55 2pyo h LEU 95 CO 0.20 0.40 -0.09 0.18 -0.34 0.00 0.00 178.44 178.79 2pyo n LEU 96 N -4.35 3.62 -0.04 2.25 4.77 -0.83 -4.76 117.00 117.65 2pyo n LEU 96 Ca 0.01 -3.46 0.18 0.00 -0.03 0.00 0.00 56.01 52.71 2pyo n LEU 96 Cb 0.19 -0.57 0.62 0.00 -2.33 0.00 0.00 43.42 41.34 2pyo n LEU 96 CO 0.37 1.02 1.19 0.77 -1.33 0.00 0.00 177.39 179.41 2pyo h SER 97 N 1.07 0.13 -0.56 -1.43 4.64 -0.84 -0.21 113.55 116.36 2pyo h SER 97 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2pyo h SER 97 Cb 1.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2pyo h SER 97 CO 0.24 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2pyo n GLY 98 N -1.60 2.57 3.68 -0.77 0.00 -1.26 -4.94 105.19 102.87 2pyo n GLY 98 Ca 0.11 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.10 4.16 -0.14 1.61 1.01 -0.09 -5.10 120.40 119.75 2pyo s VAL 99 Ca 0.47 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2pyo s VAL 99 Cb 0.32 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2pyo s VAL 99 CO 0.19 0.40 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 2pyo s THR 100 N -1.06 2.34 -0.39 3.92 2.01 -1.26 -5.06 115.64 116.13 2pyo s THR 100 Ca 0.19 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 2pyo s THR 100 Cb -0.11 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.45 2pyo s THR 100 CO 0.09 0.54 0.39 -0.63 -0.69 0.00 0.00 174.62 174.32 2pyo s ILE 101 N 0.73 5.14 0.35 1.82 1.01 -1.26 -5.04 121.20 123.95 2pyo s ILE 101 Ca -0.08 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 2pyo s ILE 101 Cb -0.16 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 2pyo s ILE 101 CO 0.01 -0.30 1.44 0.00 0.00 0.00 0.00 174.94 176.09 2pyo n ALA 102 N 5.47 2.03 -2.82 9.38 0.00 -1.26 -2.04 120.51 131.27 2pyo n ALA 102 Ca -0.08 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 2pyo n ALA 102 Cb 0.48 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 0.82 -3.56 -0.01 0.00 1.13 -1.26 -4.84 117.38 109.66 2pyo n GLN 103 Ca 0.04 0.87 0.08 0.00 -1.94 0.00 0.00 57.00 56.05 2pyo n GLN 103 Cb 0.37 -5.64 -0.12 0.00 0.11 0.00 0.00 30.24 24.96 2pyo n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pyo n GLY 104 N -1.27 -0.72 7.00 1.08 0.00 -0.86 -3.48 105.19 106.93 2pyo n GLY 104 Ca -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2pyo n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyo n GLY 105 N 1.50 0.52 3.62 -0.02 0.00 -1.26 -4.58 105.19 104.97 2pyo n GLY 105 Ca -0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 0.71 0.07 1.61 -7.23 -1.26 -5.01 120.40 109.29 2pyo s VAL 106 Ca 0.00 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 2pyo s VAL 106 Cb 0.00 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2pyo s VAL 106 CO 0.00 0.00 0.86 -0.76 -0.31 0.00 0.00 175.10 174.89 2pyo s LEU 107 N -3.73 4.47 0.17 1.32 1.43 -1.26 -4.99 118.68 116.09 2pyo s LEU 107 Ca 0.15 1.61 -0.32 0.00 -1.03 0.00 0.00 54.13 54.54 2pyo s LEU 107 Cb 0.01 -3.41 -0.12 0.00 0.03 0.00 0.00 46.19 42.70 2pyo s LEU 107 CO 0.10 -0.03 1.73 -2.65 0.23 0.00 0.00 176.35 175.73 2pyo n PRO 108 N 2.85 2.65 -3.54 1.29 -0.02 -1.26 -4.93 135.00 132.04 2pyo n PRO 108 Ca 0.00 0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2pyo n PRO 108 Cb 0.50 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.13 2pyo n PRO 108 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2pyo s ASN 109 N 1.61 -0.86 -0.20 2.55 2.47 -1.26 -5.14 114.94 114.11 2pyo s ASN 109 Ca 0.78 1.19 0.01 0.00 0.42 0.00 0.00 52.86 55.26 2pyo s ASN 109 Cb -0.54 1.95 0.05 0.00 -1.45 0.00 0.00 41.25 41.26 2pyo s ASN 109 CO 0.35 -0.17 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.84 2pyo s ILE 110 N 2.61 1.57 0.19 -5.21 1.01 -1.26 -5.10 121.20 115.00 2pyo s ILE 110 Ca -0.05 -1.00 -0.32 0.00 0.00 0.00 0.00 60.65 59.28 2pyo s ILE 110 Cb -0.09 -1.68 -0.16 0.00 0.01 0.00 0.00 42.46 40.54 2pyo s ILE 110 CO -0.18 0.12 1.11 0.00 0.00 0.00 0.00 174.94 175.99 2pyo n GLN 111 N 4.70 1.10 -0.32 2.79 1.13 -1.26 -4.83 117.38 120.69 2pyo n GLN 111 Ca -0.14 0.39 0.10 0.00 -1.94 0.00 0.00 57.00 55.41 2pyo n GLN 111 Cb 0.46 -1.84 0.26 0.00 0.11 0.00 0.00 30.24 29.23 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 3.04 1.43 0.00 -1.58 0.00 -1.99 -1.43 119.26 118.74 2pyo h ALA 112 Ca -0.42 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2pyo h ALA 112 Cb 1.35 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2pyo h ALA 112 CO 0.68 -0.08 -0.00 -0.39 0.00 0.00 0.00 179.25 179.45 2pyo h VAL 113 N 0.67 0.17 0.00 0.00 -1.51 -2.02 -2.32 116.25 111.24 2pyo h VAL 113 Ca 0.51 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.94 2pyo h VAL 113 Cb 0.76 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2pyo h VAL 113 CO -0.38 0.00 -0.13 0.18 -1.23 0.00 0.00 177.57 176.02 2pyo n LEU 114 N -3.32 0.27 -4.82 4.19 4.77 -0.54 -4.87 117.00 112.69 2pyo n LEU 114 Ca -0.03 0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 2pyo n LEU 114 Cb 0.09 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2pyo n LEU 114 CO 0.23 -0.01 0.67 -0.76 -1.33 0.00 0.00 177.39 176.18 2pyo s LEU 115 N -3.34 3.88 0.00 2.23 1.43 -0.87 -5.06 118.68 116.94 2pyo s LEU 115 Ca 0.12 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 2pyo s LEU 115 Cb 0.17 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 42.03 2pyo s LEU 115 CO 0.58 -0.48 0.87 -0.81 0.23 0.00 0.00 176.35 176.74 2pyo n PRO 116 N -0.82 -1.45 0.00 1.29 -0.04 -1.26 -5.08 135.00 127.64 2pyo n PRO 116 Ca 0.07 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 2pyo n PRO 116 Cb 0.54 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2pyo n PRO 116 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2pyo n LYS 117 N -3.26 -1.71 -1.83 0.54 0.00 -1.26 -5.02 118.16 105.62 2pyo n LYS 117 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.34 2pyo n LYS 117 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.42 2pyo n LYS 117 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2pyo n LYS 118 N -1.53 -0.63 0.00 1.64 0.00 -1.26 -4.61 118.16 111.77 2pyo n LYS 118 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 2pyo n LYS 118 Cb 0.00 -4.46 0.00 0.00 -0.00 0.00 0.00 35.03 30.57 2pyo n LYS 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2pyo n THR 119 N -3.56 0.00 -1.90 0.58 -2.24 -1.26 -5.38 114.28 100.52 2pyo n THR 119 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2pyo n THR 119 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2pyo n THR 119 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71