#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuy s LYS 15 N 0.00 1.46 0.50 0.00 2.47 -1.26 -5.13 119.74 117.78 3kuy s LYS 15 Ca 0.00 -1.47 -0.20 0.00 -1.56 0.00 0.00 55.97 52.74 3kuy s LYS 15 Cb 0.00 -1.79 -0.07 0.00 -1.46 0.00 0.00 37.83 34.51 3kuy s LYS 15 CO 0.00 0.39 1.08 0.95 0.16 0.00 0.00 175.35 177.93 3kuy s THR 16 N -1.57 3.52 0.53 3.43 -4.23 -1.26 -4.93 115.64 111.14 3kuy s THR 16 Ca 0.18 0.96 0.26 0.00 -1.18 0.00 0.00 61.69 61.92 3kuy s THR 16 Cb -0.08 -3.39 0.32 0.00 1.34 0.00 0.00 72.50 70.68 3kuy s THR 16 CO 0.09 -0.19 2.18 0.03 -0.54 0.00 0.00 174.62 176.18 3kuy h ARG 17 N 1.47 0.00 -0.57 3.99 3.08 -1.98 -1.92 114.38 118.44 3kuy h ARG 17 Ca -0.50 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.45 3kuy h ARG 17 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3kuy h ARG 17 CO 0.58 0.05 -0.04 0.77 -1.07 0.00 0.00 179.97 180.25 3kuy h SER 18 N 0.00 1.02 0.28 7.04 0.02 -1.85 -1.92 113.55 118.13 3kuy h SER 18 Ca -0.00 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.49 3kuy h SER 18 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3kuy h SER 18 CO 0.01 1.09 -0.60 0.77 -1.14 0.00 0.00 176.83 176.96 3kuy h SER 19 N 0.93 0.36 0.27 3.07 4.64 -1.54 0.63 113.55 121.92 3kuy h SER 19 Ca 0.16 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3kuy h SER 19 Cb 0.60 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3kuy h SER 19 CO 0.04 0.88 -0.20 0.03 -0.87 0.00 0.00 176.83 176.71 3kuy h ARG 20 N 0.24 0.00 0.00 4.77 3.08 -1.23 -2.53 114.38 118.71 3kuy h ARG 20 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kuy h ARG 20 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3kuy h ARG 20 CO 0.10 0.20 -0.77 0.00 -1.07 0.00 0.00 179.97 178.43 3kuy n ALA 21 N -2.43 3.81 -2.37 0.04 0.00 -0.74 -4.95 120.51 113.87 3kuy n ALA 21 Ca -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 3kuy n ALA 21 Cb 0.27 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.74 3kuy n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kuy n GLY 22 N 1.46 0.44 3.38 0.00 0.00 -0.58 -5.03 105.19 104.86 3kuy n GLY 22 Ca 0.04 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 3kuy n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kuy s LEU 23 N -1.60 2.38 0.06 0.99 1.43 0.21 -5.00 118.68 117.16 3kuy s LEU 23 Ca 0.05 -0.81 0.13 0.00 -1.03 0.00 0.00 54.13 52.47 3kuy s LEU 23 Cb -0.02 -1.08 -0.17 0.00 0.03 0.00 0.00 46.19 44.95 3kuy s LEU 23 CO 0.06 0.10 0.94 1.56 0.23 0.00 0.00 176.35 179.25 3kuy h GLN 24 N 3.52 0.00 -7.02 1.70 1.08 -1.96 -3.37 115.11 109.06 3kuy h GLN 24 Ca -0.47 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.27 3kuy h GLN 24 Cb 1.19 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3kuy h GLN 24 CO 0.45 0.56 0.37 -0.06 -0.95 0.00 0.00 178.83 179.21 3kuy s PHE 25 N -2.75 3.23 -0.84 2.96 0.40 -1.26 -4.94 117.98 114.78 3kuy s PHE 25 Ca -0.02 1.63 -0.24 0.00 -0.60 0.00 0.00 56.93 57.70 3kuy s PHE 25 Cb 0.09 -3.01 0.05 0.00 0.51 0.00 0.00 43.02 40.66 3kuy s PHE 25 CO 0.81 -0.46 1.27 -1.25 0.70 0.00 0.00 175.22 176.29 3kuy s PRO 26 N -2.90 3.35 0.28 0.24 0.04 -1.26 -4.71 135.00 130.04 3kuy s PRO 26 Ca 0.62 -0.78 0.01 0.00 0.04 0.00 0.00 61.00 60.89 3kuy s PRO 26 Cb -0.16 -4.65 0.62 0.00 0.04 0.00 0.00 34.50 30.35 3kuy s PRO 26 CO 0.20 -2.08 1.75 0.28 0.04 0.00 0.00 177.00 177.19 3kuy h VAL 27 N 6.26 0.65 0.13 -0.36 2.07 -1.90 -1.66 116.25 121.44 3kuy h VAL 27 Ca -0.08 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3kuy h VAL 27 Cb 1.04 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3kuy h VAL 27 CO 1.30 0.11 -0.37 1.23 0.02 0.00 0.00 177.57 179.85 3kuy h GLY 28 N 0.58 -0.74 0.94 2.17 0.00 -1.94 -2.40 103.07 101.68 3kuy h GLY 28 Ca 0.51 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 48.27 3kuy h GLY 28 CO -0.41 -0.26 0.16 -0.09 0.00 0.00 0.00 176.54 175.94 3kuy h ARG 29 N -0.61 0.57 -0.63 4.80 2.43 -1.83 -2.09 114.38 117.02 3kuy h ARG 29 Ca 0.02 -0.10 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3kuy h ARG 29 Cb 0.64 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 3kuy h ARG 29 CO -0.21 0.53 0.27 0.28 -1.51 0.00 0.00 179.97 179.33 3kuy h VAL 30 N 0.48 0.81 -0.76 0.20 2.07 -1.29 0.12 116.25 117.88 3kuy h VAL 30 Ca 0.13 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3kuy h VAL 30 Cb 0.17 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3kuy h VAL 30 CO -0.01 0.09 0.47 -0.74 0.02 0.00 0.00 177.57 177.40 3kuy h HIS 31 N 0.48 0.88 -0.25 1.57 -0.00 -0.87 -2.07 115.15 114.88 3kuy h HIS 31 Ca 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.65 3kuy h HIS 31 Cb 0.35 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 3kuy h HIS 31 CO -0.14 0.48 -0.05 -0.09 -0.00 0.00 0.00 177.93 178.13 3kuy h ARG 32 N 0.90 0.48 0.00 5.26 2.43 -0.47 -2.78 114.38 120.20 3kuy h ARG 32 Ca 0.31 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kuy h ARG 32 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3kuy h ARG 32 CO -0.13 0.69 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.85 3kuy h LEU 33 N 0.23 0.00 0.01 3.80 3.38 -0.62 -2.17 115.31 119.93 3kuy h LEU 33 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kuy h LEU 33 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kuy h LEU 33 CO 0.02 0.11 -0.00 -0.07 0.09 0.00 0.00 178.44 178.59 3kuy h LEU 34 N 0.00 -0.01 -0.10 1.67 3.38 -1.20 -3.13 115.31 115.92 3kuy h LEU 34 Ca -0.00 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.38 3kuy h LEU 34 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kuy h LEU 34 CO 0.01 0.60 0.03 0.03 0.09 0.00 0.00 178.44 179.21 3kuy h ARG 35 N -0.62 0.08 -1.06 1.13 3.08 -1.20 -1.19 114.38 114.59 3kuy h ARG 35 Ca -0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3kuy h ARG 35 Cb 0.61 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3kuy h ARG 35 CO 0.00 0.05 0.09 1.63 -1.07 0.00 0.00 179.97 180.67 3kuy n LYS 36 N -5.07 1.17 0.00 0.04 5.02 -0.85 -2.92 118.16 115.54 3kuy n LYS 36 Ca -0.05 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 3kuy n LYS 36 Cb 0.05 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3kuy n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kuy n GLY 37 N 0.35 -0.55 3.82 0.72 0.00 -0.45 -4.97 105.19 104.11 3kuy n GLY 37 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3kuy n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kuy n ASN 38 N -0.20 -2.62 -0.10 1.61 4.13 -1.15 -4.87 115.26 112.06 3kuy n ASN 38 Ca 0.00 -1.01 -0.13 0.00 1.68 0.00 0.00 54.58 55.12 3kuy n ASN 38 Cb 0.03 -3.23 -0.14 0.00 -1.54 0.00 0.00 39.78 34.90 3kuy n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3kuy n TYR 39 N -4.32 0.12 -3.76 3.10 4.02 -1.26 -5.02 117.16 110.03 3kuy n TYR 39 Ca -0.21 0.03 -0.09 0.00 -0.01 0.00 0.00 57.90 57.62 3kuy n TYR 39 Cb 0.64 -1.02 -0.03 0.00 -0.02 0.00 0.00 39.34 38.91 3kuy n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kuy s ALA 40 N -2.51 -1.05 0.00 -0.72 0.00 -1.26 -5.09 121.76 111.12 3kuy s ALA 40 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3kuy s ALA 40 Cb 0.07 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.07 3kuy s ALA 40 CO 0.74 -0.89 0.73 0.39 0.00 0.00 0.00 175.76 176.74 3kuy n GLU 41 N -0.39 0.00 -3.56 0.00 -0.58 -1.26 -4.82 120.64 110.03 3kuy n GLU 41 Ca -0.08 0.38 -0.23 0.00 -0.42 0.00 0.00 57.16 56.80 3kuy n GLU 41 Cb 0.62 -1.23 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 3kuy n GLU 41 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3kuy s ARG 42 N -1.92 3.48 -0.15 3.49 0.52 -1.26 -5.06 118.95 118.06 3kuy s ARG 42 Ca 0.00 -0.45 -0.04 0.00 -0.52 0.00 0.00 55.73 54.72 3kuy s ARG 42 Cb 0.00 -2.74 0.06 0.00 0.52 0.00 0.00 34.95 32.79 3kuy s ARG 42 CO 0.00 0.25 0.13 0.08 0.02 0.00 0.00 175.30 175.77 3kuy s VAL 43 N -2.19 -0.17 0.62 3.52 1.01 -1.26 -5.09 120.40 116.83 3kuy s VAL 43 Ca 0.38 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 3kuy s VAL 43 Cb -0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3kuy s VAL 43 CO 0.34 -0.14 1.19 -0.83 0.00 0.00 0.00 175.10 175.65 3kuy s GLY 44 N 2.21 2.61 0.55 4.51 0.00 -1.26 -4.92 107.32 111.02 3kuy s GLY 44 Ca 0.04 0.92 0.29 0.00 0.00 0.00 0.00 44.72 45.97 3kuy s GLY 44 CO -0.08 1.31 1.93 0.00 0.00 0.00 0.00 173.10 176.25 3kuy h ALA 45 N 0.65 2.52 -0.02 3.20 0.00 -2.05 -2.58 119.26 120.98 3kuy h ALA 45 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kuy h ALA 45 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kuy h ALA 45 CO 0.54 -0.84 -0.17 0.41 0.00 0.00 0.00 179.25 179.19 3kuy n GLY 46 N -1.62 0.60 0.08 0.00 0.00 -1.26 -4.43 105.19 98.55 3kuy n GLY 46 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3kuy n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kuy h ALA 47 N 4.29 0.33 0.00 4.61 0.00 -1.83 -2.13 119.26 124.53 3kuy h ALA 47 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 54.91 53.86 3kuy h ALA 47 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3kuy h ALA 47 CO 0.00 1.21 -0.37 -1.35 0.00 0.00 0.00 179.25 178.75 3kuy h PRO 48 N 0.02 0.00 0.62 0.00 0.11 -1.78 -2.34 132.00 128.64 3kuy h PRO 48 Ca -0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3kuy h PRO 48 Cb 1.86 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.97 3kuy h PRO 48 CO 0.14 0.37 -0.30 0.28 -0.21 0.00 0.00 178.00 178.28 3kuy h VAL 49 N 0.00 0.19 -0.40 3.15 2.07 -1.75 -1.26 116.25 118.25 3kuy h VAL 49 Ca -0.00 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3kuy h VAL 49 Cb 0.92 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3kuy h VAL 49 CO 0.05 0.03 0.09 0.22 0.02 0.00 0.00 177.57 177.98 3kuy h TYR 50 N -1.11 0.16 -0.10 1.57 3.20 -1.46 -1.31 116.97 117.91 3kuy h TYR 50 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3kuy h TYR 50 Cb 0.69 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3kuy h TYR 50 CO 0.00 0.03 0.05 1.25 -1.64 0.00 0.00 178.16 177.86 3kuy h LEU 51 N 0.23 0.08 -1.16 2.82 5.85 -1.41 -1.53 115.31 120.19 3kuy h LEU 51 Ca 0.19 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3kuy h LEU 51 Cb 0.22 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3kuy h LEU 51 CO -0.24 0.06 0.09 0.00 -0.34 0.00 0.00 178.44 178.01 3kuy h ALA 52 N 1.05 1.32 0.12 1.25 0.00 -1.00 -1.26 119.26 120.73 3kuy h ALA 52 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kuy h ALA 52 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kuy h ALA 52 CO -0.02 0.48 -0.24 0.00 0.00 0.00 0.00 179.25 179.47 3kuy h ALA 53 N 1.45 -0.40 -0.73 0.00 0.00 -0.77 -1.61 119.26 117.19 3kuy h ALA 53 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kuy h ALA 53 Cb 0.27 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3kuy h ALA 53 CO 0.00 -0.77 0.49 0.28 0.00 0.00 0.00 179.25 179.24 3kuy h VAL 54 N -0.44 1.18 -0.06 0.00 2.07 -0.67 -0.95 116.25 117.37 3kuy h VAL 54 Ca 0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3kuy h VAL 54 Cb 0.46 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3kuy h VAL 54 CO -0.13 0.18 -0.02 -0.07 0.02 0.00 0.00 177.57 177.55 3kuy h LEU 55 N 0.98 0.12 0.22 2.57 3.38 -1.02 -2.17 115.31 119.39 3kuy h LEU 55 Ca 0.27 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kuy h LEU 55 Cb -0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3kuy h LEU 55 CO -0.06 0.47 -0.50 -0.08 0.09 0.00 0.00 178.44 178.36 3kuy h GLU 56 N -0.23 -0.77 -0.75 1.13 4.81 -0.76 0.27 114.58 118.27 3kuy h GLU 56 Ca 0.02 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.47 3kuy h GLU 56 Cb 0.42 0.18 -0.13 0.00 0.63 0.00 0.00 28.75 29.84 3kuy h GLU 56 CO 0.01 -0.52 -0.03 -0.92 -0.73 0.00 0.00 179.01 176.82 3kuy h TYR 57 N -0.80 -0.11 -0.17 0.92 3.20 -1.20 0.39 116.97 119.21 3kuy h TYR 57 Ca -0.01 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 3kuy h TYR 57 Cb 0.78 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3kuy h TYR 57 CO -0.38 -0.26 -0.43 -0.07 -1.64 0.00 0.00 178.16 175.38 3kuy h LEU 58 N 0.08 0.41 -0.31 2.82 3.38 -0.88 -1.27 115.31 119.55 3kuy h LEU 58 Ca 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3kuy h LEU 58 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3kuy h LEU 58 CO -0.68 0.79 0.07 0.74 0.09 0.00 0.00 178.44 179.45 3kuy h THR 59 N 0.32 1.22 -0.26 0.22 2.02 0.11 -2.82 112.91 113.72 3kuy h THR 59 Ca 0.03 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.50 3kuy h THR 59 Cb 0.89 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3kuy h THR 59 CO 0.07 0.25 0.04 0.00 0.37 0.00 0.00 175.52 176.25 3kuy h ALA 60 N 0.90 0.27 0.21 6.16 0.00 0.23 -0.60 119.26 126.42 3kuy h ALA 60 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kuy h ALA 60 Cb 0.30 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kuy h ALA 60 CO 0.00 -0.37 -0.39 1.49 0.00 0.00 0.00 179.25 179.98 3kuy h GLU 61 N 0.14 -0.66 -0.77 0.00 4.57 -1.21 0.69 114.58 117.34 3kuy h GLU 61 Ca 0.12 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3kuy h GLU 61 Cb 0.13 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3kuy h GLU 61 CO -0.17 -0.44 0.51 0.82 -1.18 0.00 0.00 179.01 178.55 3kuy h ILE 62 N -0.68 1.20 -0.36 2.32 2.04 -1.32 0.57 117.51 121.28 3kuy h ILE 62 Ca 0.01 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3kuy h ILE 62 Cb 0.67 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3kuy h ILE 62 CO -0.18 0.20 0.05 -0.07 0.00 0.00 0.00 178.15 178.15 3kuy h LEU 63 N 1.05 0.57 -0.14 1.44 3.38 -0.86 0.23 115.31 120.98 3kuy h LEU 63 Ca 0.28 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kuy h LEU 63 Cb -0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3kuy h LEU 63 CO -0.06 0.69 -0.50 -0.08 0.09 0.00 0.00 178.44 178.59 3kuy h GLU 64 N 0.43 -0.50 -0.45 1.13 4.57 0.10 0.14 114.58 120.01 3kuy h GLU 64 Ca 0.11 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3kuy h GLU 64 Cb 0.37 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3kuy h GLU 64 CO 0.01 -0.33 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.39 3kuy h LEU 65 N -0.52 0.81 -0.65 1.64 3.38 -0.77 -1.83 115.31 117.38 3kuy h LEU 65 Ca 0.03 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kuy h LEU 65 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3kuy h LEU 65 CO -0.41 0.95 0.42 0.00 0.09 0.00 0.00 178.44 179.50 3kuy h ALA 66 N 0.89 0.84 -0.50 1.53 0.00 -0.42 -1.64 119.26 119.96 3kuy h ALA 66 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3kuy h ALA 66 Cb 0.56 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3kuy h ALA 66 CO 0.03 0.23 -0.09 0.78 0.00 0.00 0.00 179.25 180.20 3kuy h GLY 67 N 0.86 0.40 0.53 0.00 0.00 -0.23 0.13 103.07 104.76 3kuy h GLY 67 Ca 0.25 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.80 3kuy h GLY 67 CO -0.07 -0.18 0.35 3.43 0.00 0.00 0.00 176.54 180.07 3kuy h ASN 68 N 0.03 0.47 0.48 0.19 2.35 -0.49 -0.23 115.58 118.37 3kuy h ASN 68 Ca 0.24 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.97 3kuy h ASN 68 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3kuy h ASN 68 CO -0.48 0.28 -0.38 0.00 -1.65 0.00 0.00 177.43 175.19 3kuy h ALA 69 N 1.40 1.26 0.14 -0.83 0.00 -0.55 0.11 119.26 120.78 3kuy h ALA 69 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kuy h ALA 69 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kuy h ALA 69 CO -0.25 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 3kuy h ALA 70 N 1.62 -0.19 0.05 0.00 0.00 0.84 -2.78 119.26 118.80 3kuy h ALA 70 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kuy h ALA 70 Cb 0.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3kuy h ALA 70 CO 0.05 -0.53 -0.24 -0.09 0.00 0.00 0.00 179.25 178.45 3kuy h ARG 71 N -0.34 -0.32 -1.76 0.00 2.43 -0.41 0.20 114.38 114.19 3kuy h ARG 71 Ca -0.02 0.02 0.51 0.00 -0.81 0.00 0.00 59.98 59.69 3kuy h ARG 71 Cb 0.27 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 3kuy h ARG 71 CO 0.03 -0.21 1.25 -0.44 -1.51 0.00 0.00 179.97 179.09 3kuy h ASP 72 N -0.33 0.02 -0.61 -3.80 3.32 -0.82 0.53 116.42 114.74 3kuy h ASP 72 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kuy h ASP 72 Cb 0.33 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kuy h ASP 72 CO -0.13 -0.02 0.00 0.59 -1.72 0.00 0.00 179.24 177.96 3kuy n ASN 73 N -4.05 4.19 -0.94 6.45 3.02 -0.95 -4.93 115.26 118.05 3kuy n ASN 73 Ca 0.40 -2.27 -0.08 0.00 -0.03 0.00 0.00 54.58 52.60 3kuy n ASN 73 Cb 1.81 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 40.48 3kuy n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kuy n LYS 74 N 1.12 -0.71 -4.28 3.52 4.76 0.19 -5.04 118.16 117.71 3kuy n LYS 74 Ca 0.23 0.39 -0.21 0.00 -2.87 0.00 0.00 58.31 55.85 3kuy n LYS 74 Cb 0.74 -4.32 -0.12 0.00 -1.84 0.00 0.00 35.03 29.49 3kuy n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kuy s LYS 75 N -4.43 1.12 -0.03 1.97 3.01 0.02 -5.03 119.74 116.38 3kuy s LYS 75 Ca 0.01 -1.25 0.12 0.00 -1.01 0.00 0.00 55.97 53.84 3kuy s LYS 75 Cb -0.00 -1.20 -0.19 0.00 -1.01 0.00 0.00 37.83 35.43 3kuy s LYS 75 CO 0.01 0.25 0.25 0.25 0.51 0.00 0.00 175.35 176.62 3kuy n THR 76 N 0.69 0.07 -3.79 2.17 -2.24 -1.26 -3.25 114.28 106.67 3kuy n THR 76 Ca -0.16 -0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 3kuy n THR 76 Cb 0.56 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3kuy n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kuy s ARG 77 N -2.81 3.73 0.10 -0.78 3.52 -1.26 -5.01 118.95 116.43 3kuy s ARG 77 Ca -0.05 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 54.80 3kuy s ARG 77 Cb 0.08 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 3kuy s ARG 77 CO 0.51 -0.12 1.44 0.42 -0.81 0.00 0.00 175.30 176.74 3kuy s ILE 78 N 1.44 3.27 0.19 4.11 1.01 -1.26 -5.00 121.20 124.96 3kuy s ILE 78 Ca 0.06 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.64 3kuy s ILE 78 Cb -0.15 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3kuy s ILE 78 CO 0.04 0.05 -0.15 0.27 0.00 0.00 0.00 174.94 175.15 3kuy s ILE 79 N 1.51 1.69 0.19 2.92 -4.36 -1.26 -5.02 121.20 116.86 3kuy s ILE 79 Ca 0.66 -2.13 -0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3kuy s ILE 79 Cb -0.37 -1.97 0.29 0.00 1.25 0.00 0.00 42.46 41.66 3kuy s ILE 79 CO 0.30 -0.55 1.09 -2.65 0.24 0.00 0.00 174.94 173.37 3kuy n PRO 80 N -0.21 -0.08 -0.33 0.37 -0.02 -1.26 0.19 135.00 133.65 3kuy n PRO 80 Ca -0.09 1.09 0.18 0.00 -2.02 0.00 0.00 63.50 62.66 3kuy n PRO 80 Cb 0.60 -1.63 0.39 0.00 -0.02 0.00 0.00 33.50 32.84 3kuy n PRO 80 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kuy h ARG 81 N 0.00 0.45 0.00 -0.52 9.65 -1.80 0.40 114.38 122.57 3kuy h ARG 81 Ca 0.32 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.16 3kuy h ARG 81 Cb 0.49 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3kuy h ARG 81 CO -0.72 0.30 -0.05 0.45 2.80 0.00 0.00 179.97 182.76 3kuy h HIS 82 N 0.47 0.00 0.16 2.20 3.86 0.17 -0.59 115.15 121.42 3kuy h HIS 82 Ca 0.65 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.56 3kuy h HIS 82 Cb 1.31 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.79 3kuy h HIS 82 CO -0.04 0.05 -1.41 -0.07 0.86 0.00 0.00 177.93 177.32 3kuy h LEU 83 N 0.00 0.52 0.51 2.43 3.38 -0.18 -2.68 115.31 119.30 3kuy h LEU 83 Ca -0.00 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3kuy h LEU 83 Cb 0.68 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kuy h LEU 83 CO 0.01 1.49 -0.24 -0.61 0.09 0.00 0.00 178.44 179.17 3kuy h GLN 84 N 0.09 -0.66 -0.80 1.13 5.75 -0.51 0.20 115.11 120.31 3kuy h GLN 84 Ca -0.21 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.44 3kuy h GLN 84 Cb 2.04 0.15 -0.08 0.00 1.07 0.00 0.00 27.48 30.66 3kuy h GLN 84 CO 0.21 -0.36 0.44 -0.07 -2.65 0.00 0.00 178.83 176.40 3kuy h LEU 85 N -0.90 0.60 0.49 -2.39 3.38 -1.27 0.25 115.31 115.47 3kuy h LEU 85 Ca -0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kuy h LEU 85 Cb 0.60 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kuy h LEU 85 CO 0.11 0.33 -0.29 0.00 0.09 0.00 0.00 178.44 178.68 3kuy h ALA 86 N 1.47 -0.75 0.83 1.53 0.00 -1.34 -2.02 119.26 118.98 3kuy h ALA 86 Ca 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kuy h ALA 86 Cb 0.42 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kuy h ALA 86 CO -0.27 -0.93 -0.40 0.28 0.00 0.00 0.00 179.25 177.92 3kuy h VAL 87 N -0.75 0.05 0.00 0.00 2.07 -0.58 -3.22 116.25 113.83 3kuy h VAL 87 Ca -0.06 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kuy h VAL 87 Cb 0.61 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3kuy h VAL 87 CO 0.06 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.69 3kuy h ARG 88 N -1.26 0.00 -0.14 1.57 2.47 -0.58 -1.47 114.38 114.97 3kuy h ARG 88 Ca -0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3kuy h ARG 88 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3kuy h ARG 88 CO 0.19 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.81 3kuy n ASN 89 N -2.77 1.33 -3.89 7.04 3.02 -0.76 -4.77 115.26 114.45 3kuy n ASN 89 Ca -0.01 -1.67 -0.30 0.00 -0.03 0.00 0.00 54.58 52.57 3kuy n ASN 89 Cb 0.13 -0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 3kuy n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kuy s ASP 90 N -1.54 4.06 0.27 6.41 2.15 -0.56 -5.02 116.67 122.45 3kuy s ASP 90 Ca 0.31 -1.50 0.10 0.00 0.43 0.00 0.00 52.55 51.89 3kuy s ASP 90 Cb 0.16 -1.17 0.87 0.00 -0.30 0.00 0.00 42.92 42.47 3kuy s ASP 90 CO 0.24 -0.32 1.22 1.21 -0.17 0.00 0.00 175.17 177.35 3kuy n GLU 91 N 4.64 -0.05 -0.06 4.34 2.13 -1.26 -0.40 120.64 129.98 3kuy n GLU 91 Ca -0.06 1.10 -0.05 0.00 0.66 0.00 0.00 57.16 58.81 3kuy n GLU 91 Cb 0.43 -1.89 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 3kuy n GLU 91 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3kuy h GLU 92 N 0.00 0.00 -0.88 5.31 5.08 -1.95 -1.75 114.58 120.39 3kuy h GLU 92 Ca 0.58 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 59.08 3kuy h GLU 92 Cb 1.43 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.62 3kuy h GLU 92 CO -0.65 0.36 0.57 -0.07 -1.00 0.00 0.00 179.01 178.22 3kuy h LEU 93 N -1.00 0.67 -0.95 1.33 3.38 -1.72 -0.07 115.31 116.95 3kuy h LEU 93 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kuy h LEU 93 Cb 0.39 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kuy h LEU 93 CO -0.00 0.35 0.29 -1.13 0.09 0.00 0.00 178.44 178.04 3kuy h ASN 94 N 0.71 0.96 -0.12 -0.43 -1.24 -0.70 -1.62 115.58 113.14 3kuy h ASN 94 Ca 0.43 -0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.22 3kuy h ASN 94 Cb 0.65 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3kuy h ASN 94 CO -0.19 0.85 -0.25 0.50 -1.29 0.00 0.00 177.43 177.04 3kuy h LYS 95 N 1.03 0.39 -0.77 6.67 3.64 -0.19 0.23 116.57 127.56 3kuy h LYS 95 Ca 0.24 -0.25 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 3kuy h LYS 95 Cb 0.19 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3kuy h LYS 95 CO -0.02 0.85 0.51 1.25 -2.27 0.00 0.00 179.45 179.77 3kuy h LEU 96 N -0.03 0.54 -3.31 5.20 5.85 -1.01 -1.53 115.31 121.02 3kuy h LEU 96 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kuy h LEU 96 Cb 0.85 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3kuy h LEU 96 CO 0.06 0.30 0.01 0.18 -0.34 0.00 0.00 178.44 178.65 3kuy n LEU 97 N -4.50 4.11 0.00 2.25 4.77 -0.62 -4.68 117.00 118.33 3kuy n LEU 97 Ca 0.14 -3.10 0.02 0.00 -0.03 0.00 0.00 56.01 53.04 3kuy n LEU 97 Cb 0.41 -0.57 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3kuy n LEU 97 CO 0.32 0.74 0.57 0.61 -1.33 0.00 0.00 177.39 178.29 3kuy n GLY 98 N -0.51 -0.64 2.08 -0.72 0.00 0.06 -1.30 105.19 104.16 3kuy n GLY 98 Ca 0.24 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 3kuy n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kuy n ARG 99 N -1.49 2.83 -4.24 1.61 1.74 -1.26 -5.04 116.66 110.81 3kuy n ARG 99 Ca 0.01 -3.85 -0.17 0.00 -0.77 0.00 0.00 57.85 53.07 3kuy n ARG 99 Cb 0.05 -1.97 -0.13 0.00 -1.02 0.00 0.00 32.46 29.39 3kuy n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kuy s VAL 100 N -4.11 0.82 -0.15 1.55 1.01 -0.42 -5.14 120.40 113.95 3kuy s VAL 100 Ca 0.43 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3kuy s VAL 100 Cb 0.38 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3kuy s VAL 100 CO 0.00 -0.06 -0.16 -0.89 0.00 0.00 0.00 175.10 173.99 3kuy s THR 101 N -0.82 2.66 -0.49 3.92 2.01 -1.26 -5.03 115.64 116.62 3kuy s THR 101 Ca -0.01 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 3kuy s THR 101 Cb -0.07 -2.11 0.05 0.00 0.01 0.00 0.00 72.50 70.38 3kuy s THR 101 CO 0.01 0.52 0.60 -0.63 -0.69 0.00 0.00 174.62 174.43 3kuy s ILE 102 N 0.72 4.90 0.33 1.82 1.01 -1.26 -5.03 121.20 123.69 3kuy s ILE 102 Ca -0.07 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 3kuy s ILE 102 Cb -0.16 -4.27 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 3kuy s ILE 102 CO 0.01 -0.76 1.24 0.00 0.00 0.00 0.00 174.94 175.44 3kuy n ALA 103 N 6.09 1.02 -1.81 9.38 0.00 -1.26 -1.94 120.51 132.00 3kuy n ALA 103 Ca -0.06 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 3kuy n ALA 103 Cb 0.46 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3kuy n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kuy n GLN 104 N 0.58 -1.18 0.02 0.00 1.13 -1.26 -4.82 117.38 111.85 3kuy n GLN 104 Ca 0.06 0.94 0.02 0.00 -1.94 0.00 0.00 57.00 56.08 3kuy n GLN 104 Cb 0.35 -5.20 -0.09 0.00 0.11 0.00 0.00 30.24 25.41 3kuy n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kuy n GLY 105 N -1.02 -1.19 7.00 1.08 0.00 -0.82 -3.62 105.19 106.63 3kuy n GLY 105 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kuy n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kuy n GLY 106 N 1.38 0.63 3.16 -0.02 0.00 -1.26 -4.54 105.19 104.53 3kuy n GLY 106 Ca -0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 3kuy n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kuy s VAL 107 N 0.00 0.75 0.27 1.61 -7.23 -1.26 -5.02 120.40 109.52 3kuy s VAL 107 Ca 0.00 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.14 3kuy s VAL 107 Cb 0.00 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 3kuy s VAL 107 CO 0.00 -0.72 1.34 -0.76 -0.31 0.00 0.00 175.10 174.65 3kuy s LEU 108 N -2.68 4.42 -0.08 1.32 1.43 -1.26 -4.93 118.68 116.89 3kuy s LEU 108 Ca 0.07 2.59 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 3kuy s LEU 108 Cb 0.01 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 3kuy s LEU 108 CO -0.03 -0.57 1.97 -2.84 0.23 0.00 0.00 176.35 175.11 3kuy s PRO 109 N -0.91 3.79 -0.25 1.29 0.02 -1.26 -4.93 135.00 132.75 3kuy s PRO 109 Ca 0.54 2.27 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 3kuy s PRO 109 Cb -0.39 -4.19 0.10 0.00 0.02 0.00 0.00 34.50 30.04 3kuy s PRO 109 CO 0.46 -1.34 0.56 1.21 -0.33 0.00 0.00 177.00 177.55 3kuy s ASN 110 N 5.47 -0.76 -0.14 2.53 2.47 -1.26 -5.15 114.94 118.10 3kuy s ASN 110 Ca 0.88 1.31 0.02 0.00 0.42 0.00 0.00 52.86 55.50 3kuy s ASN 110 Cb -0.36 1.71 0.01 0.00 -1.45 0.00 0.00 41.25 41.16 3kuy s ASN 110 CO 0.37 -0.22 -0.22 -0.63 -3.72 0.00 0.00 177.10 172.68 3kuy s ILE 111 N 2.48 2.12 0.17 -5.21 1.01 -1.26 -5.10 121.20 115.40 3kuy s ILE 111 Ca -0.05 -0.96 -0.34 0.00 0.00 0.00 0.00 60.65 59.30 3kuy s ILE 111 Cb -0.11 -1.85 -0.15 0.00 0.01 0.00 0.00 42.46 40.37 3kuy s ILE 111 CO -0.16 0.55 1.41 0.00 0.00 0.00 0.00 174.94 176.73 3kuy n GLN 112 N 4.03 1.72 -0.28 2.79 1.13 -1.26 -4.87 117.38 120.64 3kuy n GLN 112 Ca -0.20 0.62 -0.05 0.00 -1.94 0.00 0.00 57.00 55.43 3kuy n GLN 112 Cb 0.52 -2.28 0.07 0.00 0.11 0.00 0.00 30.24 28.65 3kuy n GLN 112 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3kuy h SER 113 N 4.71 0.94 0.02 1.08 4.64 -1.99 -1.35 113.55 121.61 3kuy h SER 113 Ca -0.45 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3kuy h SER 113 Cb 1.29 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kuy h SER 113 CO 0.80 0.74 0.00 0.55 -0.87 0.00 0.00 176.83 178.05 3kuy n VAL 114 N -4.47 1.92 1.23 0.95 3.14 -1.26 -0.46 118.33 119.37 3kuy n VAL 114 Ca 0.07 0.50 0.13 0.00 -2.96 0.00 0.00 64.34 62.08 3kuy n VAL 114 Cb 0.07 -1.48 0.42 0.00 -1.06 0.00 0.00 33.84 31.78 3kuy n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3kuy n LEU 115 N -1.53 0.77 -4.76 6.55 4.77 -0.51 -4.88 117.00 117.40 3kuy n LEU 115 Ca 0.00 -0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 3kuy n LEU 115 Cb 0.01 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3kuy n LEU 115 CO 0.01 0.15 0.54 -0.76 -1.33 0.00 0.00 177.39 176.00 3kuy s LEU 116 N -2.60 4.60 0.66 2.23 1.43 0.39 -5.05 118.68 120.34 3kuy s LEU 116 Ca 0.23 1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 3kuy s LEU 116 Cb 0.19 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3kuy s LEU 116 CO 0.54 0.17 1.16 -2.16 0.23 0.00 0.00 176.35 176.29 3kuy s PRO 117 N -1.02 2.66 -0.31 1.29 0.04 -1.26 -4.92 135.00 131.48 3kuy s PRO 117 Ca 0.38 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 3kuy s PRO 117 Cb -0.24 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3kuy s PRO 117 CO 0.28 -1.40 1.87 0.15 0.04 0.00 0.00 177.00 177.94 3kuy s LYS 118 N -3.83 3.29 0.00 4.56 1.02 -1.26 -5.18 119.74 118.34 3kuy s LYS 118 Ca 0.72 1.52 0.31 0.00 0.02 0.00 0.00 55.97 58.54 3kuy s LYS 118 Cb -0.25 -4.23 1.88 0.00 -0.52 0.00 0.00 37.83 34.71 3kuy s LYS 118 CO 0.40 -1.91 2.20 1.63 -0.92 0.00 0.00 175.35 176.75