#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwq s LYS 15 N 0.00 4.79 0.73 0.00 1.02 -1.26 -5.03 119.74 119.98 3kwq s LYS 15 Ca 0.00 1.49 -0.14 0.00 0.02 0.00 0.00 55.97 57.34 3kwq s LYS 15 Cb 0.00 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3kwq s LYS 15 CO 0.00 0.38 1.16 0.95 -0.92 0.00 0.00 175.35 176.92 3kwq s THR 16 N -0.70 2.67 0.33 2.17 -4.23 -1.26 -4.90 115.64 109.72 3kwq s THR 16 Ca 0.44 0.30 0.10 0.00 -1.18 0.00 0.00 61.69 61.35 3kwq s THR 16 Cb -0.25 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 70.85 3kwq s THR 16 CO 0.31 -0.20 1.74 0.03 -0.54 0.00 0.00 174.62 175.97 3kwq h ARG 17 N -0.41 0.08 -0.27 3.99 3.08 -1.98 -2.59 114.38 116.28 3kwq h ARG 17 Ca -0.47 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.55 3kwq h ARG 17 Cb 1.27 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3kwq h ARG 17 CO 0.50 0.50 0.17 0.77 -1.07 0.00 0.00 179.97 180.85 3kwq h SER 18 N 0.07 0.29 -0.61 7.04 0.02 -1.89 -1.32 113.55 117.15 3kwq h SER 18 Ca 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3kwq h SER 18 Cb 0.79 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3kwq h SER 18 CO 0.06 0.21 0.29 0.77 -1.14 0.00 0.00 176.83 177.02 3kwq h SER 19 N 0.35 0.82 -0.03 3.07 4.64 -1.72 -0.66 113.55 120.01 3kwq h SER 19 Ca 0.10 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3kwq h SER 19 Cb -0.02 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3kwq h SER 19 CO -0.03 0.70 0.02 0.03 -0.87 0.00 0.00 176.83 176.68 3kwq h ARG 20 N 0.90 0.00 -0.02 4.77 3.08 -0.88 -2.68 114.38 119.55 3kwq h ARG 20 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3kwq h ARG 20 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kwq h ARG 20 CO -0.03 0.00 -0.36 0.00 -1.07 0.00 0.00 179.97 178.51 3kwq n ALA 21 N -2.50 3.29 -1.39 0.04 0.00 -0.37 -4.98 120.51 114.60 3kwq n ALA 21 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3kwq n ALA 21 Cb 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kwq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwq n GLY 22 N 1.38 0.41 3.81 0.00 0.00 -0.52 -5.05 105.19 105.22 3kwq n GLY 22 Ca 0.10 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 3kwq n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwq s LEU 23 N 0.00 3.24 -0.13 0.99 1.43 -0.75 -5.03 118.68 118.43 3kwq s LEU 23 Ca 0.00 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.22 3kwq s LEU 23 Cb 0.00 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 3kwq s LEU 23 CO 0.00 -0.62 -0.07 0.00 0.23 0.00 0.00 176.35 175.89 3kwq n GLN 24 N -1.41 0.91 -2.21 1.70 1.13 -1.26 -4.40 117.38 111.84 3kwq n GLN 24 Ca 0.01 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 3kwq n GLN 24 Cb 0.63 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.68 3kwq n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3kwq s PHE 25 N -2.27 3.27 -0.78 1.08 0.40 -1.26 -4.92 117.98 113.50 3kwq s PHE 25 Ca -0.15 1.06 -0.24 0.00 -0.60 0.00 0.00 56.93 57.01 3kwq s PHE 25 Cb 0.04 -3.63 -0.16 0.00 0.51 0.00 0.00 43.02 39.78 3kwq s PHE 25 CO 0.35 -2.13 2.39 -0.35 0.70 0.00 0.00 175.22 176.19 3kwq n PRO 26 N 3.57 0.54 0.03 0.24 -0.04 -1.26 -4.80 135.00 133.29 3kwq n PRO 26 Ca 0.10 -0.61 0.04 0.00 -0.04 0.00 0.00 63.50 62.99 3kwq n PRO 26 Cb 0.43 -3.28 0.44 0.00 -0.04 0.00 0.00 33.50 31.05 3kwq n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kwq h VAL 27 N 7.62 1.10 -0.90 0.52 2.07 -1.91 0.17 116.25 124.92 3kwq h VAL 27 Ca -0.03 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3kwq h VAL 27 Cb 1.06 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3kwq h VAL 27 CO 1.11 0.10 0.59 1.23 0.02 0.00 0.00 177.57 180.62 3kwq h GLY 28 N 0.51 1.30 0.09 2.17 0.00 -1.95 -0.56 103.07 104.64 3kwq h GLY 28 Ca 0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kwq h GLY 28 CO -0.03 0.33 -0.04 -0.09 0.00 0.00 0.00 176.54 176.71 3kwq h ARG 29 N 1.06 -0.11 -0.96 4.80 2.43 -1.15 -2.80 114.38 117.64 3kwq h ARG 29 Ca 0.37 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.74 3kwq h ARG 29 Cb 0.13 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 29.53 3kwq h ARG 29 CO -0.13 -0.01 -0.27 0.28 -1.51 0.00 0.00 179.97 178.33 3kwq n VAL 30 N -4.85 -0.43 0.05 0.20 0.31 -0.12 -0.01 118.33 113.48 3kwq n VAL 30 Ca -0.02 2.22 -0.11 0.00 -0.01 0.00 0.00 64.34 66.42 3kwq n VAL 30 Cb 0.08 -3.04 -0.05 0.00 -0.91 0.00 0.00 33.84 29.92 3kwq n VAL 30 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 3kwq h HIS 31 N 0.00 -0.37 -0.75 3.52 -0.00 -1.18 -0.38 115.15 115.98 3kwq h HIS 31 Ca 0.44 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.87 3kwq h HIS 31 Cb 0.68 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 28.20 3kwq h HIS 31 CO -0.76 -0.21 0.46 -0.09 -0.00 0.00 0.00 177.93 177.32 3kwq h ARG 32 N -0.23 0.82 -0.66 5.26 2.43 -0.15 -1.92 114.38 119.94 3kwq h ARG 32 Ca 0.05 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3kwq h ARG 32 Cb 0.30 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3kwq h ARG 32 CO -0.15 0.55 0.14 -0.07 -1.51 0.00 0.00 179.97 178.92 3kwq h LEU 33 N 0.85 1.00 -1.93 3.80 3.38 -0.68 -2.15 115.31 119.58 3kwq h LEU 33 Ca 0.33 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.23 3kwq h LEU 33 Cb 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3kwq h LEU 33 CO -0.16 0.97 0.41 -0.07 0.09 0.00 0.00 178.44 179.68 3kwq h LEU 34 N 1.00 0.07 0.00 1.67 3.38 -0.25 -1.63 115.31 119.55 3kwq h LEU 34 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3kwq h LEU 34 Cb 0.38 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kwq h LEU 34 CO 0.01 0.04 -0.10 0.03 0.09 0.00 0.00 178.44 178.50 3kwq h ARG 35 N 0.07 0.00 0.00 1.13 3.08 -1.28 -3.32 114.38 114.06 3kwq h ARG 35 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3kwq h ARG 35 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3kwq h ARG 35 CO -0.02 0.77 0.00 0.36 -1.07 0.00 0.00 179.97 180.01 3kwq n LYS 36 N -4.63 0.02 0.12 0.04 2.85 -1.04 -1.65 118.16 113.87 3kwq n LYS 36 Ca -0.09 0.38 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 3kwq n LYS 36 Cb 0.39 -1.55 0.13 0.00 -0.65 0.00 0.00 35.03 33.35 3kwq n LYS 36 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3kwq h GLY 37 N 1.32 0.00 -5.08 2.58 0.00 -1.40 -3.49 103.07 97.01 3kwq h GLY 37 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 3kwq h GLY 37 CO 0.00 0.00 -0.64 0.70 0.00 0.00 0.00 176.54 176.60 3kwq n ASN 38 N -2.56 -2.64 0.03 0.19 4.13 -0.66 -4.90 115.26 108.85 3kwq n ASN 38 Ca 0.02 -0.51 0.13 0.00 1.68 0.00 0.00 54.58 55.90 3kwq n ASN 38 Cb 0.50 -4.39 0.41 0.00 -1.54 0.00 0.00 39.78 34.76 3kwq n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3kwq n TYR 39 N -3.80 0.29 -3.79 3.10 4.02 -1.26 -4.94 117.16 110.78 3kwq n TYR 39 Ca -0.20 0.09 0.03 0.00 -0.01 0.00 0.00 57.90 57.80 3kwq n TYR 39 Cb 0.63 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3kwq n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kwq s ALA 40 N -3.05 -2.42 -0.01 -0.72 0.00 -1.26 -5.04 121.76 109.26 3kwq s ALA 40 Ca 0.11 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 3kwq s ALA 40 Cb 0.16 0.60 -0.15 0.00 0.00 0.00 0.00 23.12 23.74 3kwq s ALA 40 CO 0.62 -1.10 1.06 0.93 0.00 0.00 0.00 175.76 177.27 3kwq h GLU 41 N 2.00 -0.49 -6.23 0.00 4.39 -1.99 -3.46 114.58 108.80 3kwq h GLU 41 Ca -0.27 0.03 -0.59 0.00 0.34 0.00 0.00 59.36 58.87 3kwq h GLU 41 Cb 1.19 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.83 3kwq h GLU 41 CO 0.30 -0.17 -0.72 1.03 -1.16 0.00 0.00 179.01 178.29 3kwq s ARG 42 N -4.27 1.91 -0.10 2.33 0.52 -1.26 -5.12 118.95 112.96 3kwq s ARG 42 Ca -0.13 -1.62 -0.01 0.00 -0.52 0.00 0.00 55.73 53.45 3kwq s ARG 42 Cb 0.02 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.59 3kwq s ARG 42 CO 0.47 0.35 -0.04 0.08 0.02 0.00 0.00 175.30 176.17 3kwq s VAL 43 N -2.39 0.76 1.05 3.52 1.01 -1.26 -5.06 120.40 118.02 3kwq s VAL 43 Ca 0.30 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 3kwq s VAL 43 Cb -0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3kwq s VAL 43 CO 0.17 0.31 -0.59 0.61 0.00 0.00 0.00 175.10 175.60 3kwq n GLY 44 N 5.03 -2.84 0.28 4.51 0.00 -1.26 -4.87 105.19 106.04 3kwq n GLY 44 Ca -0.10 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.49 3kwq n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwq n ALA 45 N -3.83 3.62 -0.04 4.61 0.00 -1.26 -3.84 120.51 119.78 3kwq n ALA 45 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 3kwq n ALA 45 Cb 0.66 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 3kwq n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwq n GLY 46 N 1.42 -0.80 0.00 0.00 0.00 -1.26 -4.28 105.19 100.27 3kwq n GLY 46 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kwq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwq n ALA 47 N -2.80 -0.14 -0.32 4.61 0.00 -1.25 0.12 120.51 120.72 3kwq n ALA 47 Ca -0.28 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.33 3kwq n ALA 47 Cb 1.06 0.32 0.34 0.00 0.00 0.00 0.00 19.45 21.17 3kwq n ALA 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kwq h PRO 48 N 0.00 0.08 0.57 0.00 0.13 -1.78 0.01 132.00 131.01 3kwq h PRO 48 Ca 0.00 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3kwq h PRO 48 Cb 0.00 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.12 3kwq h PRO 48 CO 0.00 0.05 -0.27 0.28 -0.23 0.00 0.00 178.00 177.83 3kwq h VAL 49 N 0.08 0.39 -0.17 1.56 2.07 -1.24 -1.50 116.25 117.45 3kwq h VAL 49 Ca 0.62 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.97 3kwq h VAL 49 Cb 1.35 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3kwq h VAL 49 CO -0.79 0.03 -0.47 0.22 0.02 0.00 0.00 177.57 176.58 3kwq h TYR 50 N -0.91 -1.41 -0.24 1.57 3.20 0.14 -0.16 116.97 119.16 3kwq h TYR 50 Ca -0.08 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3kwq h TYR 50 Cb 0.64 0.64 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 3kwq h TYR 50 CO -0.01 -0.46 -0.35 1.25 -1.64 0.00 0.00 178.16 176.95 3kwq h LEU 51 N -0.47 -1.17 -0.90 2.82 5.85 -1.06 0.66 115.31 121.05 3kwq h LEU 51 Ca 0.03 0.15 0.24 0.00 0.84 0.00 0.00 57.88 59.15 3kwq h LEU 51 Cb 0.57 0.48 -0.14 0.00 0.37 0.00 0.00 40.66 41.93 3kwq h LEU 51 CO -0.40 -0.26 0.29 0.00 -0.34 0.00 0.00 178.44 177.73 3kwq h ALA 52 N -0.53 1.37 -0.73 1.25 0.00 -1.00 0.50 119.26 120.12 3kwq h ALA 52 Ca 0.04 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kwq h ALA 52 Cb 0.38 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3kwq h ALA 52 CO -0.37 -0.47 0.47 0.00 0.00 0.00 0.00 179.25 178.89 3kwq h ALA 53 N 1.78 0.93 -0.27 0.00 0.00 0.95 0.15 119.26 122.80 3kwq h ALA 53 Ca 0.57 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 3kwq h ALA 53 Cb 1.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kwq h ALA 53 CO -0.64 0.30 -0.13 0.28 0.00 0.00 0.00 179.25 179.07 3kwq h VAL 54 N 0.95 1.30 0.11 0.00 2.07 0.16 -1.09 116.25 119.76 3kwq h VAL 54 Ca 0.27 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3kwq h VAL 54 Cb -0.07 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3kwq h VAL 54 CO -0.08 0.38 -0.16 -0.07 0.02 0.00 0.00 177.57 177.67 3kwq h LEU 55 N 0.29 -0.43 -0.87 2.57 3.38 -0.21 -0.85 115.31 119.19 3kwq h LEU 55 Ca 0.06 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.20 3kwq h LEU 55 Cb 0.64 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 3kwq h LEU 55 CO 0.04 -0.23 0.49 -0.08 0.09 0.00 0.00 178.44 178.74 3kwq h GLU 56 N -0.32 0.73 -0.22 1.13 4.81 -0.64 -0.98 114.58 119.09 3kwq h GLU 56 Ca 0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3kwq h GLU 56 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3kwq h GLU 56 CO -0.08 0.48 0.07 -0.92 -0.73 0.00 0.00 179.01 177.83 3kwq h TYR 57 N 0.75 0.36 0.00 0.92 3.20 -0.54 -1.90 116.97 119.76 3kwq h TYR 57 Ca 0.45 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 3kwq h TYR 57 Cb 0.53 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3kwq h TYR 57 CO -0.06 0.42 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.61 3kwq h LEU 58 N 0.19 0.00 0.00 2.82 3.38 -0.62 -0.36 115.31 120.72 3kwq h LEU 58 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kwq h LEU 58 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kwq h LEU 58 CO -0.00 0.20 -0.31 0.71 0.09 0.00 0.00 178.44 179.13 3kwq h THR 59 N 0.00 0.00 0.03 0.22 1.35 -0.96 -2.98 112.91 110.56 3kwq h THR 59 Ca -0.00 -0.60 -0.27 0.00 -0.55 0.00 0.00 66.41 64.99 3kwq h THR 59 Cb 0.38 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3kwq h THR 59 CO 0.03 0.00 -1.44 0.00 -0.25 0.00 0.00 175.52 173.86 3kwq h ALA 60 N 2.40 0.52 -0.06 6.62 0.00 -0.51 -2.67 119.26 125.55 3kwq h ALA 60 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 3kwq h ALA 60 Cb 0.80 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kwq h ALA 60 CO 0.00 1.38 0.00 1.49 0.00 0.00 0.00 179.25 182.12 3kwq h GLU 61 N 0.02 0.11 -0.33 0.00 4.57 -1.06 -2.19 114.58 115.69 3kwq h GLU 61 Ca -0.19 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 57.83 3kwq h GLU 61 Cb 1.93 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.50 3kwq h GLU 61 CO 0.11 0.36 -0.34 0.97 -1.18 0.00 0.00 179.01 178.93 3kwq h ILE 62 N -0.16 1.28 -0.10 2.32 2.10 -1.65 -2.64 117.51 118.67 3kwq h ILE 62 Ca 0.02 -1.50 -0.08 0.00 1.08 0.00 0.00 64.86 64.38 3kwq h ILE 62 Cb 0.31 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 3kwq h ILE 62 CO 0.00 0.49 -0.32 -0.07 -1.08 0.00 0.00 178.15 177.17 3kwq h LEU 63 N 0.61 0.18 0.08 2.19 3.38 -1.46 0.21 115.31 120.50 3kwq h LEU 63 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kwq h LEU 63 Cb 0.87 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kwq h LEU 63 CO 0.08 0.50 -0.04 -0.08 0.09 0.00 0.00 178.44 178.99 3kwq h GLU 64 N 0.16 -0.10 -0.57 1.13 4.57 -1.20 0.11 114.58 118.69 3kwq h GLU 64 Ca 0.02 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 3kwq h GLU 64 Cb 0.64 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 3kwq h GLU 64 CO 0.05 0.09 0.02 -0.07 -1.18 0.00 0.00 179.01 177.91 3kwq h LEU 65 N -0.28 0.93 0.24 1.64 3.38 -1.10 -2.05 115.31 118.07 3kwq h LEU 65 Ca -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3kwq h LEU 65 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kwq h LEU 65 CO 0.02 0.98 -0.11 0.00 0.09 0.00 0.00 178.44 179.41 3kwq h ALA 66 N 1.12 -0.32 -0.66 1.53 0.00 -0.44 -0.43 119.26 120.05 3kwq h ALA 66 Ca 0.17 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3kwq h ALA 66 Cb 0.50 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 3kwq h ALA 66 CO 0.02 -0.63 0.09 0.78 0.00 0.00 0.00 179.25 179.52 3kwq h GLY 67 N -0.42 0.82 0.98 0.00 0.00 -0.65 0.05 103.07 103.85 3kwq h GLY 67 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kwq h GLY 67 CO 0.05 -0.19 0.20 3.43 0.00 0.00 0.00 176.54 180.03 3kwq h ASN 68 N 0.20 0.39 -0.55 0.19 2.35 -0.99 -1.79 115.58 115.38 3kwq h ASN 68 Ca 0.36 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 56.11 3kwq h ASN 68 Cb 0.59 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 3kwq h ASN 68 CO -0.50 0.33 0.37 0.00 -1.65 0.00 0.00 177.43 175.97 3kwq h ALA 69 N 1.08 1.80 0.00 -0.83 0.00 0.42 0.15 119.26 121.88 3kwq h ALA 69 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kwq h ALA 69 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kwq h ALA 69 CO -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 3kwq h ALA 70 N 1.69 0.99 0.12 0.00 0.00 -0.33 -2.93 119.26 118.80 3kwq h ALA 70 Ca 0.23 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 3kwq h ALA 70 Cb 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kwq h ALA 70 CO -0.06 0.04 -0.92 -0.09 0.00 0.00 0.00 179.25 178.21 3kwq h ARG 71 N 0.00 0.41 0.00 0.00 2.43 0.06 -0.06 114.38 117.22 3kwq h ARG 71 Ca -0.00 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3kwq h ARG 71 Cb 0.73 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3kwq h ARG 71 CO 0.00 1.26 0.00 -0.44 -1.51 0.00 0.00 179.97 179.29 3kwq h ASP 72 N -0.15 0.00 -0.33 -3.80 3.32 -1.12 -0.74 116.42 113.60 3kwq h ASP 72 Ca -0.15 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3kwq h ASP 72 Cb 1.69 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.18 3kwq h ASP 72 CO 0.18 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.29 3kwq n ASN 73 N -2.56 3.28 -3.95 6.45 3.02 -1.16 -4.97 115.26 115.36 3kwq n ASN 73 Ca -0.01 -3.36 -0.25 0.00 -0.03 0.00 0.00 54.58 50.92 3kwq n ASN 73 Cb 0.10 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 3kwq n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kwq n LYS 74 N -0.81 -3.25 -4.32 3.52 5.02 -0.28 -4.98 118.16 113.06 3kwq n LYS 74 Ca 0.28 0.40 -0.19 0.00 -2.02 0.00 0.00 58.31 56.78 3kwq n LYS 74 Cb 0.99 -4.51 -0.10 0.00 -0.02 0.00 0.00 35.03 31.38 3kwq n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kwq s LYS 75 N -6.56 1.26 -0.01 1.97 -0.14 -0.04 -5.04 119.74 111.17 3kwq s LYS 75 Ca 0.00 -1.48 0.13 0.00 -1.36 0.00 0.00 55.97 53.26 3kwq s LYS 75 Cb -0.00 -1.12 -0.18 0.00 -1.68 0.00 0.00 37.83 34.85 3kwq s LYS 75 CO 0.89 0.20 0.36 2.41 -0.76 0.00 0.00 175.35 178.45 3kwq n THR 76 N -0.05 0.00 -4.16 2.17 -1.04 -1.26 -4.28 114.28 105.66 3kwq n THR 76 Ca -0.11 -0.27 -0.31 0.00 -2.04 0.00 0.00 64.05 61.33 3kwq n THR 76 Cb 0.59 0.45 -0.16 0.00 -1.82 0.00 0.00 70.33 69.39 3kwq n THR 76 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3kwq s ARG 77 N -2.67 2.54 0.20 -2.82 3.52 -1.26 -5.08 118.95 113.37 3kwq s ARG 77 Ca -0.02 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.61 3kwq s ARG 77 Cb 0.09 -2.23 -0.11 0.00 -1.56 0.00 0.00 34.95 31.14 3kwq s ARG 77 CO 0.53 -0.19 1.59 0.42 -0.81 0.00 0.00 175.30 176.84 3kwq s ILE 78 N 1.31 2.43 0.36 4.11 1.01 -1.26 -5.03 121.20 124.13 3kwq s ILE 78 Ca 0.03 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.06 3kwq s ILE 78 Cb -0.13 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 3kwq s ILE 78 CO -0.09 0.03 -0.00 0.27 0.00 0.00 0.00 174.94 175.14 3kwq s ILE 79 N 0.93 1.76 0.21 2.92 -4.36 -1.26 -5.03 121.20 116.37 3kwq s ILE 79 Ca 0.69 -2.05 -0.20 0.00 -0.26 0.00 0.00 60.65 58.84 3kwq s ILE 79 Cb -0.45 -2.82 0.18 0.00 1.25 0.00 0.00 42.46 40.62 3kwq s ILE 79 CO 0.34 -0.07 1.56 -0.65 0.24 0.00 0.00 174.94 176.36 3kwq h PRO 80 N 1.97 -0.06 -0.96 0.37 0.11 -1.89 0.19 132.00 131.73 3kwq h PRO 80 Ca -0.42 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.94 3kwq h PRO 80 Cb 1.24 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 3kwq h PRO 80 CO 0.75 -0.04 0.49 -0.09 -0.21 0.00 0.00 178.00 178.90 3kwq h ARG 81 N -0.06 0.43 -0.62 1.05 2.43 -1.82 -0.07 114.38 115.72 3kwq h ARG 81 Ca 0.29 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3kwq h ARG 81 Cb 0.57 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3kwq h ARG 81 CO -0.88 0.29 0.02 0.45 -1.51 0.00 0.00 179.97 178.34 3kwq h HIS 82 N 0.44 1.18 -0.46 2.20 3.86 -1.31 -0.89 115.15 120.17 3kwq h HIS 82 Ca 0.63 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3kwq h HIS 82 Cb 1.24 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3kwq h HIS 82 CO -0.07 1.03 0.13 -0.07 0.86 0.00 0.00 177.93 179.81 3kwq h LEU 83 N 0.99 0.62 -0.01 2.43 3.38 -0.88 -1.97 115.31 119.87 3kwq h LEU 83 Ca 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kwq h LEU 83 Cb 0.54 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kwq h LEU 83 CO 0.03 0.60 -0.01 -0.61 0.09 0.00 0.00 178.44 178.54 3kwq h GLN 84 N 0.66 0.02 -0.84 1.13 5.75 -1.10 -1.46 115.11 119.27 3kwq h GLN 84 Ca 0.15 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.79 3kwq h GLN 84 Cb 0.22 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 3kwq h GLN 84 CO -0.01 0.48 0.55 -0.07 -2.65 0.00 0.00 178.83 177.13 3kwq h LEU 85 N -0.43 0.55 -0.01 -2.39 3.38 -0.99 0.16 115.31 115.57 3kwq h LEU 85 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kwq h LEU 85 Cb 0.47 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kwq h LEU 85 CO 0.00 0.27 -0.01 0.00 0.09 0.00 0.00 178.44 178.80 3kwq h ALA 86 N 1.62 0.01 0.82 1.53 0.00 -1.20 -2.68 119.26 119.36 3kwq h ALA 86 Ca 0.42 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kwq h ALA 86 Cb 0.80 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kwq h ALA 86 CO -0.17 -0.23 -0.39 0.28 0.00 0.00 0.00 179.25 178.73 3kwq h VAL 87 N -0.47 0.00 0.00 0.00 2.07 -0.52 -2.97 116.25 114.36 3kwq h VAL 87 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kwq h VAL 87 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3kwq h VAL 87 CO 0.00 0.00 0.03 0.03 0.02 0.00 0.00 177.57 177.65 3kwq h ARG 88 N -1.19 0.00 -0.01 1.57 2.47 -1.11 -0.70 114.38 115.41 3kwq h ARG 88 Ca -0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3kwq h ARG 88 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3kwq h ARG 88 CO 0.19 0.00 -0.42 0.09 0.56 0.00 0.00 179.97 180.39 3kwq n ASN 89 N -2.43 1.56 -4.27 7.04 3.02 -1.01 -4.81 115.26 114.35 3kwq n ASN 89 Ca -0.02 -1.22 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 3kwq n ASN 89 Cb 0.07 0.36 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3kwq n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kwq s ASP 90 N -2.52 5.12 0.16 6.41 2.15 -0.27 -5.02 116.67 122.70 3kwq s ASP 90 Ca 0.20 -1.01 -0.30 0.00 0.43 0.00 0.00 52.55 51.87 3kwq s ASP 90 Cb 0.18 -1.84 -0.07 0.00 -0.30 0.00 0.00 42.92 40.90 3kwq s ASP 90 CO 0.57 -0.26 1.51 -0.62 -0.17 0.00 0.00 175.17 176.20 3kwq n GLU 91 N 4.79 -0.43 0.11 4.34 1.02 -1.26 -1.18 120.64 128.03 3kwq n GLU 91 Ca -0.13 1.48 -0.13 0.00 -0.02 0.00 0.00 57.16 58.36 3kwq n GLU 91 Cb 0.46 -2.18 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 3kwq n GLU 91 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kwq h GLU 92 N 0.00 -0.24 -0.78 3.49 5.08 -1.95 -2.62 114.58 117.56 3kwq h GLU 92 Ca 0.16 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 3kwq h GLU 92 Cb 0.40 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 3kwq h GLU 92 CO -0.92 0.02 0.37 -0.07 -1.00 0.00 0.00 179.01 177.41 3kwq h LEU 93 N -0.49 0.44 -1.89 1.33 3.38 -1.78 0.36 115.31 116.66 3kwq h LEU 93 Ca -0.03 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3kwq h LEU 93 Cb 0.38 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kwq h LEU 93 CO 0.04 0.20 0.25 -1.13 0.09 0.00 0.00 178.44 177.89 3kwq h ASN 94 N 0.57 0.11 0.01 -0.43 -1.24 -1.00 0.62 115.58 114.22 3kwq h ASN 94 Ca 0.41 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.39 3kwq h ASN 94 Cb 0.55 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.58 3kwq h ASN 94 CO -0.34 0.07 -0.16 0.50 -1.29 0.00 0.00 177.43 176.21 3kwq h LYS 95 N 0.13 0.09 -0.14 6.67 3.64 0.01 -1.77 116.57 125.18 3kwq h LYS 95 Ca 0.16 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3kwq h LYS 95 Cb 0.48 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3kwq h LYS 95 CO -0.02 0.93 0.19 1.25 -2.27 0.00 0.00 179.45 179.53 3kwq h LEU 96 N -0.71 0.00 -4.03 5.20 5.85 0.23 -1.31 115.31 120.55 3kwq h LEU 96 Ca -0.02 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.23 3kwq h LEU 96 Cb 0.99 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.61 3kwq h LEU 96 CO 0.03 0.00 -0.87 0.18 -0.34 0.00 0.00 178.44 177.44 3kwq n LEU 97 N -3.64 4.20 0.04 2.25 4.77 0.09 -4.80 117.00 119.90 3kwq n LEU 97 Ca 0.01 -4.38 0.09 0.00 -0.03 0.00 0.00 56.01 51.70 3kwq n LEU 97 Cb 0.30 -0.19 0.38 0.00 -2.33 0.00 0.00 43.42 41.58 3kwq n LEU 97 CO 0.25 1.87 0.78 0.61 -1.33 0.00 0.00 177.39 179.57 3kwq n GLY 98 N -0.69 -1.12 0.48 -0.72 0.00 -0.49 -2.33 105.19 100.31 3kwq n GLY 98 Ca 0.36 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.42 3kwq n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwq n ARG 99 N -1.72 0.86 -4.07 1.61 5.12 -1.26 -5.03 116.66 112.17 3kwq n ARG 99 Ca 0.03 -2.27 -0.32 0.00 -1.93 0.00 0.00 57.85 53.36 3kwq n ARG 99 Cb 0.20 -1.08 -0.07 0.00 -1.16 0.00 0.00 32.46 30.35 3kwq n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kwq s VAL 100 N -1.87 4.72 -0.29 1.55 1.01 -0.98 -5.09 120.40 119.45 3kwq s VAL 100 Ca 0.26 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kwq s VAL 100 Cb 0.24 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.50 3kwq s VAL 100 CO -0.03 0.26 0.00 -0.89 0.00 0.00 0.00 175.10 174.45 3kwq s THR 101 N -1.28 1.70 -0.54 3.92 2.01 -1.26 -5.05 115.64 115.14 3kwq s THR 101 Ca 0.26 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.33 3kwq s THR 101 Cb -0.12 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.29 3kwq s THR 101 CO 0.18 -0.36 1.50 -0.63 -0.69 0.00 0.00 174.62 174.61 3kwq s ILE 102 N 1.25 3.71 0.49 1.82 1.01 -1.26 -4.98 121.20 123.24 3kwq s ILE 102 Ca 0.02 0.60 -0.20 0.00 0.00 0.00 0.00 60.65 61.07 3kwq s ILE 102 Cb -0.19 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 37.88 3kwq s ILE 102 CO -0.10 -1.06 0.57 0.00 0.00 0.00 0.00 174.94 174.35 3kwq n ALA 103 N 10.00 -1.17 -4.20 9.38 0.00 -1.26 -2.23 120.51 131.03 3kwq n ALA 103 Ca 0.14 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3kwq n ALA 103 Cb 0.49 -1.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 3kwq n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kwq n GLN 104 N 0.26 -2.47 -0.00 0.00 1.13 -1.26 -4.79 117.38 110.25 3kwq n GLN 104 Ca 0.11 0.30 0.03 0.00 -1.94 0.00 0.00 57.00 55.50 3kwq n GLN 104 Cb 0.43 -4.58 -0.04 0.00 0.11 0.00 0.00 30.24 26.17 3kwq n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kwq n GLY 105 N -1.77 0.09 7.00 1.08 0.00 -0.94 -3.27 105.19 107.37 3kwq n GLY 105 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kwq n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwq n GLY 106 N 1.66 -0.06 3.33 -0.02 0.00 -1.26 -4.66 105.19 104.18 3kwq n GLY 106 Ca -0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 3kwq n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kwq s VAL 107 N 0.00 0.67 0.23 1.61 -7.23 -1.26 -5.03 120.40 109.39 3kwq s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3kwq s VAL 107 Cb 0.00 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 3kwq s VAL 107 CO 0.00 -0.03 1.30 -0.76 -0.31 0.00 0.00 175.10 175.30 3kwq s LEU 108 N -3.33 4.43 0.26 1.32 1.43 -1.26 -4.93 118.68 116.59 3kwq s LEU 108 Ca 0.37 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.62 3kwq s LEU 108 Cb 0.08 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.57 3kwq s LEU 108 CO 0.13 -0.51 1.55 -2.84 0.23 0.00 0.00 176.35 174.92 3kwq s PRO 109 N -0.50 4.18 -0.30 1.29 0.02 -1.26 -4.92 135.00 133.51 3kwq s PRO 109 Ca 0.55 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 63.87 3kwq s PRO 109 Cb -0.37 -3.07 0.17 0.00 0.02 0.00 0.00 34.50 31.26 3kwq s PRO 109 CO 0.41 -0.57 1.19 1.21 -0.33 0.00 0.00 177.00 178.91 3kwq s ASN 110 N 0.57 -0.17 -0.09 2.53 2.47 -1.26 -5.15 114.94 113.84 3kwq s ASN 110 Ca 0.64 0.11 0.01 0.00 0.42 0.00 0.00 52.86 54.04 3kwq s ASN 110 Cb -0.46 1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 40.47 3kwq s ASN 110 CO 0.44 -0.03 -0.11 -0.63 -3.72 0.00 0.00 177.10 173.04 3kwq s ILE 111 N 2.94 3.28 0.61 -5.21 1.01 -1.26 -5.09 121.20 117.49 3kwq s ILE 111 Ca -0.08 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 3kwq s ILE 111 Cb -0.09 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3kwq s ILE 111 CO -0.08 0.56 1.12 0.00 0.00 0.00 0.00 174.94 176.53 3kwq n GLN 112 N 2.83 1.05 0.20 2.79 1.13 -1.26 -4.93 117.38 119.19 3kwq n GLN 112 Ca -0.18 0.41 -0.15 0.00 -1.94 0.00 0.00 57.00 55.14 3kwq n GLN 112 Cb 0.53 -2.33 -0.08 0.00 0.11 0.00 0.00 30.24 28.47 3kwq n GLN 112 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3kwq h SER 113 N 0.61 -0.37 0.00 1.08 0.02 -2.00 -2.96 113.55 109.93 3kwq h SER 113 Ca -0.49 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3kwq h SER 113 Cb 1.35 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.99 3kwq h SER 113 CO 0.52 -0.24 0.00 1.33 -1.14 0.00 0.00 176.83 177.31 3kwq n VAL 114 N -5.26 0.00 0.87 2.27 0.24 -1.26 -1.75 118.33 113.43 3kwq n VAL 114 Ca -0.10 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.29 3kwq n VAL 114 Cb 0.20 -0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 31.48 3kwq n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kwq n LEU 115 N -0.94 0.87 -4.76 1.34 4.77 -1.12 -4.97 117.00 112.19 3kwq n LEU 115 Ca 0.00 -0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 3kwq n LEU 115 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3kwq n LEU 115 CO 0.00 0.22 0.78 -0.76 -1.33 0.00 0.00 177.39 176.30 3kwq s LEU 116 N -3.01 4.56 0.00 2.23 1.43 -0.72 -5.04 118.68 118.12 3kwq s LEU 116 Ca 0.06 2.23 -0.08 0.00 -1.03 0.00 0.00 54.13 55.31 3kwq s LEU 116 Cb 0.15 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.87 3kwq s LEU 116 CO 0.80 -0.13 0.39 -0.81 0.23 0.00 0.00 176.35 176.84 3kwq n PRO 117 N 1.33 -2.25 -0.80 1.29 -0.04 -1.26 -4.93 135.00 128.33 3kwq n PRO 117 Ca -0.01 -0.63 0.11 0.00 -0.04 0.00 0.00 63.50 62.93 3kwq n PRO 117 Cb 0.45 -0.66 -0.03 0.00 -0.04 0.00 0.00 33.50 33.23 3kwq n PRO 117 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3kwq n LYS 118 N -3.00 -1.58 -4.22 0.54 2.85 -1.26 -4.97 118.16 106.51 3kwq n LYS 118 Ca 0.06 1.06 -0.15 0.00 -1.05 0.00 0.00 58.31 58.23 3kwq n LYS 118 Cb 0.23 -1.95 -0.10 0.00 -0.65 0.00 0.00 35.03 32.55 3kwq n LYS 118 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kwq s LYS 119 N -1.78 0.98 0.00 -1.58 2.20 -1.26 -5.17 119.74 113.13 3kwq s LYS 119 Ca 0.00 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 3kwq s LYS 119 Cb 0.00 -0.62 0.00 0.00 -1.51 0.00 0.00 37.83 35.70 3kwq s LYS 119 CO 0.00 0.09 0.00 2.41 -0.36 0.00 0.00 175.35 177.49