#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 0.91 0.43 0.00 1.02 -1.26 -5.14 119.74 115.70 3kuy s LYS 15 Ca 0.00 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.25 3kuy s LYS 15 Cb 0.00 -0.89 -0.09 0.00 -0.52 0.00 0.00 37.83 36.33 3kuy s LYS 15 CO 0.00 0.23 1.02 0.95 -0.92 0.00 0.00 175.35 176.64 3kuy s THR 16 N -0.47 3.88 0.20 2.17 -4.23 -1.26 -4.92 115.64 111.01 3kuy s THR 16 Ca 0.03 1.31 0.36 0.00 -1.18 0.00 0.00 61.69 62.21 3kuy s THR 16 Cb -0.06 -3.61 0.39 0.00 1.34 0.00 0.00 72.50 70.56 3kuy s THR 16 CO 0.00 -0.12 2.06 0.03 -0.54 0.00 0.00 174.62 176.06 3kuy h ARG 17 N 2.13 0.00 0.57 3.99 3.08 -1.99 -0.09 114.38 122.07 3kuy h ARG 17 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 3kuy h ARG 17 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.27 3kuy h ARG 17 CO 0.61 0.00 -0.27 0.77 -1.07 0.00 0.00 179.97 180.01 3kuy h SER 18 N 0.00 -0.65 -0.68 7.04 0.02 -1.86 -1.46 113.55 115.96 3kuy h SER 18 Ca 0.00 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3kuy h SER 18 Cb 0.32 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 3kuy h SER 18 CO 0.00 -0.28 0.34 0.77 -1.14 0.00 0.00 176.83 176.53 3kuy h SER 19 N -1.08 0.46 -0.69 3.07 4.64 -1.66 0.36 113.55 118.64 3kuy h SER 19 Ca -0.08 0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.47 3kuy h SER 19 Cb 0.64 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 3kuy h SER 19 CO 0.13 0.28 0.48 0.03 -0.87 0.00 0.00 176.83 176.88 3kuy h ARG 20 N 0.60 0.17 -0.02 4.77 3.08 -0.99 0.77 114.38 122.76 3kuy h ARG 20 Ca 0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3kuy h ARG 20 Cb 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3kuy h ARG 20 CO -0.24 0.11 -0.01 0.00 -1.07 0.00 0.00 179.97 178.76 3kuy n ALA 21 N -2.60 2.50 -2.98 0.04 0.00 -0.39 -4.98 120.51 112.10 3kuy n ALA 21 Ca 0.13 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 3kuy n ALA 21 Cb 0.64 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 1.14 -0.02 3.29 0.00 0.00 0.98 -5.03 105.19 105.55 3kuy n GLY 22 Ca 0.12 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.74 2.21 0.06 0.99 1.43 0.34 -4.99 118.68 113.98 3kuy s LEU 23 Ca 0.12 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3kuy s LEU 23 Cb -0.05 -1.04 -0.30 0.00 0.03 0.00 0.00 46.19 44.82 3kuy s LEU 23 CO 0.45 0.16 1.09 1.56 0.23 0.00 0.00 176.35 179.84 3kuy h GLN 24 N 4.56 0.35 -7.01 1.70 1.08 -1.95 -3.37 115.11 110.47 3kuy h GLN 24 Ca -0.45 -0.59 -0.48 0.00 -1.45 0.00 0.00 58.65 55.68 3kuy h GLN 24 Cb 1.16 0.22 0.03 0.00 -0.05 0.00 0.00 27.48 28.84 3kuy h GLN 24 CO 0.42 1.28 0.41 -0.06 -0.95 0.00 0.00 178.83 179.93 3kuy s PHE 25 N -2.64 3.11 -0.72 2.96 0.40 -1.26 -4.94 117.98 114.89 3kuy s PHE 25 Ca -0.05 1.60 -0.27 0.00 -0.60 0.00 0.00 56.93 57.61 3kuy s PHE 25 Cb 0.06 -3.13 0.03 0.00 0.51 0.00 0.00 43.02 40.48 3kuy s PHE 25 CO 0.90 -0.82 1.32 -1.25 0.70 0.00 0.00 175.22 176.07 3kuy s PRO 26 N -2.82 3.17 0.20 0.24 0.04 -1.26 -4.78 135.00 129.78 3kuy s PRO 26 Ca 0.62 -0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 3kuy s PRO 26 Cb -0.21 -4.18 0.18 0.00 0.04 0.00 0.00 34.50 30.33 3kuy s PRO 26 CO 0.25 -2.16 1.81 0.28 0.04 0.00 0.00 177.00 177.22 3kuy h VAL 27 N 6.11 1.01 -0.23 -0.36 2.07 -1.91 -1.81 116.25 121.12 3kuy h VAL 27 Ca -0.28 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3kuy h VAL 27 Cb 1.06 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3kuy h VAL 27 CO 1.27 0.12 -0.09 1.23 0.02 0.00 0.00 177.57 180.12 3kuy h GLY 28 N 0.66 0.13 0.97 2.17 0.00 -1.95 0.12 103.07 105.17 3kuy h GLY 28 Ca 0.26 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.71 3kuy h GLY 28 CO -0.15 -0.11 0.12 -0.09 0.00 0.00 0.00 176.54 176.32 3kuy h ARG 29 N -0.04 0.25 -0.56 4.80 9.65 -1.91 -1.82 114.38 124.74 3kuy h ARG 29 Ca 0.12 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 3kuy h ARG 29 Cb 0.22 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 3kuy h ARG 29 CO -0.26 0.16 0.02 0.28 2.80 0.00 0.00 179.97 182.97 3kuy h VAL 30 N 0.26 1.26 -0.60 0.20 2.07 -1.12 -1.21 116.25 117.10 3kuy h VAL 30 Ca 0.08 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.60 3kuy h VAL 30 Cb -0.01 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3kuy h VAL 30 CO -0.03 0.38 0.31 -0.74 0.02 0.00 0.00 177.57 177.51 3kuy h HIS 31 N 0.87 0.56 0.01 1.57 -0.00 -0.28 -2.70 115.15 115.18 3kuy h HIS 31 Ca 0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3kuy h HIS 31 Cb 0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3kuy h HIS 31 CO 0.03 0.25 -0.01 -0.09 -0.00 0.00 0.00 177.93 178.11 3kuy h ARG 32 N 0.57 -0.01 -0.19 5.26 2.43 -0.71 -3.03 114.38 118.69 3kuy h ARG 32 Ca 0.28 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3kuy h ARG 32 Cb 0.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3kuy h ARG 32 CO -0.20 0.25 0.13 -0.07 -1.51 0.00 0.00 179.97 178.57 3kuy h LEU 33 N -0.28 0.09 -0.79 3.80 3.38 -1.14 -0.41 115.31 119.96 3kuy h LEU 33 Ca -0.00 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kuy h LEU 33 Cb 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kuy h LEU 33 CO 0.00 0.06 -0.17 -0.07 0.09 0.00 0.00 178.44 178.35 3kuy h LEU 34 N 0.10 0.72 -0.27 1.67 3.38 -1.38 -1.91 115.31 117.63 3kuy h LEU 34 Ca 0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3kuy h LEU 34 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kuy h LEU 34 CO -0.01 0.90 -0.02 0.03 0.09 0.00 0.00 178.44 179.43 3kuy h ARG 35 N 0.65 0.49 0.00 1.13 3.08 -0.99 -3.24 114.38 115.49 3kuy h ARG 35 Ca 0.10 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kuy h ARG 35 Cb 0.65 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kuy h ARG 35 CO 0.05 0.66 -0.09 1.57 -1.07 0.00 0.00 179.97 181.09 3kuy h LYS 36 N 0.27 0.00 -0.25 0.04 2.10 -1.30 -3.08 116.57 114.34 3kuy h LYS 36 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3kuy h LYS 36 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3kuy h LYS 36 CO 0.02 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.88 3kuy n GLY 37 N 1.22 0.50 3.62 0.07 0.00 -0.72 -4.98 105.19 104.90 3kuy n GLY 37 Ca 0.04 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 0.45 -5.57 -0.07 1.61 4.13 -1.17 -4.91 115.26 109.73 3kuy n ASN 38 Ca 0.15 -0.76 -0.05 0.00 1.68 0.00 0.00 54.58 55.59 3kuy n ASN 38 Cb 0.33 -2.64 -0.14 0.00 -1.54 0.00 0.00 39.78 35.79 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 -2.58 0.00 -3.68 3.10 4.02 -1.26 -5.04 117.16 111.73 3kuy n TYR 39 Ca -0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.59 3kuy n TYR 39 Cb 0.64 -0.79 -0.02 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.60 -1.52 0.08 -0.72 0.00 -1.26 -5.07 121.76 110.66 3kuy s ALA 40 Ca -0.08 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 3kuy s ALA 40 Cb 0.07 0.73 -0.18 0.00 0.00 0.00 0.00 23.12 23.74 3kuy s ALA 40 CO 0.74 -0.93 1.66 0.93 0.00 0.00 0.00 175.76 178.16 3kuy h GLU 41 N 2.00 -0.61 -6.57 0.00 4.39 -1.99 -3.44 114.58 108.35 3kuy h GLU 41 Ca -0.24 0.04 -0.65 0.00 0.34 0.00 0.00 59.36 58.85 3kuy h GLU 41 Cb 1.25 0.14 -0.16 0.00 -0.10 0.00 0.00 28.75 29.88 3kuy h GLU 41 CO 0.28 -0.41 -0.77 1.03 -1.16 0.00 0.00 179.01 177.99 3kuy s ARG 42 N -6.10 1.89 -0.20 2.33 0.52 -1.26 -5.11 118.95 111.02 3kuy s ARG 42 Ca -0.16 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3kuy s ARG 42 Cb 0.04 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 33.46 3kuy s ARG 42 CO 0.63 0.45 -0.00 0.08 0.02 0.00 0.00 175.30 176.48 3kuy s VAL 43 N -1.47 0.94 0.81 3.52 1.01 -1.26 -5.09 120.40 118.86 3kuy s VAL 43 Ca 0.22 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3kuy s VAL 43 Cb -0.09 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3kuy s VAL 43 CO 0.13 -0.13 0.79 0.61 0.00 0.00 0.00 175.10 176.50 3kuy n GLY 44 N 4.90 -0.97 0.20 4.51 0.00 -1.26 -4.92 105.19 107.64 3kuy n GLY 44 Ca -0.10 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.54 3kuy n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kuy h ALA 45 N -0.84 1.00 -0.07 4.61 0.00 -2.04 -3.13 119.26 118.80 3kuy h ALA 45 Ca -0.45 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 3kuy h ALA 45 Cb 1.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.12 3kuy h ALA 45 CO 0.42 0.00 -0.83 0.78 0.00 0.00 0.00 179.25 179.63 3kuy h GLY 46 N 3.85 0.75 -0.61 0.00 0.00 -2.01 -3.37 103.07 101.68 3kuy h GLY 46 Ca 0.00 -1.19 0.09 0.00 0.00 0.00 0.00 47.33 46.23 3kuy h GLY 46 CO 0.00 1.06 -0.47 0.00 0.00 0.00 0.00 176.54 177.13 3kuy h ALA 47 N 0.45 -0.37 0.00 3.60 0.00 -1.92 0.55 119.26 121.56 3kuy h ALA 47 Ca -0.08 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3kuy h ALA 47 Cb 1.48 1.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 3kuy h ALA 47 CO 0.17 -0.86 -0.41 -1.00 0.00 0.00 0.00 179.25 177.15 3kuy h PRO 48 N -0.19 0.00 -0.33 0.00 0.13 -1.75 0.56 132.00 130.41 3kuy h PRO 48 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3kuy h PRO 48 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3kuy h PRO 48 CO -0.74 0.41 0.15 0.28 -0.23 0.00 0.00 178.00 177.87 3kuy h VAL 49 N 0.00 1.17 -0.30 1.56 2.07 -1.32 0.42 116.25 119.85 3kuy h VAL 49 Ca -0.00 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 3kuy h VAL 49 Cb 0.74 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3kuy h VAL 49 CO 0.05 0.18 -0.26 0.22 0.02 0.00 0.00 177.57 177.78 3kuy h TYR 50 N 0.40 0.84 -0.35 1.57 -0.00 -0.34 -2.68 116.97 116.41 3kuy h TYR 50 Ca 0.11 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.73 58.51 3kuy h TYR 50 Cb 0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 36.68 3kuy h TYR 50 CO -0.01 0.98 -0.13 1.25 -0.00 0.00 0.00 178.16 180.26 3kuy h LEU 51 N 0.45 0.72 -1.89 2.82 5.85 -0.80 -1.74 115.31 120.73 3kuy h LEU 51 Ca 0.05 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3kuy h LEU 51 Cb 0.83 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3kuy h LEU 51 CO 0.07 0.94 -0.02 0.00 -0.34 0.00 0.00 178.44 179.10 3kuy h ALA 52 N 0.80 1.91 0.68 1.25 0.00 -0.92 0.62 119.26 123.60 3kuy h ALA 52 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kuy h ALA 52 Cb 0.65 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kuy h ALA 52 CO 0.04 0.07 -0.33 0.00 0.00 0.00 0.00 179.25 179.04 3kuy h ALA 53 N 1.94 -0.92 -0.88 0.00 0.00 -1.08 -1.04 119.26 117.28 3kuy h ALA 53 Ca 0.01 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kuy h ALA 53 Cb 0.06 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3kuy h ALA 53 CO 0.00 -0.91 0.53 0.28 0.00 0.00 0.00 179.25 179.15 3kuy h VAL 54 N -1.13 0.94 -0.42 0.00 2.07 -0.84 0.12 116.25 116.99 3kuy h VAL 54 Ca -0.09 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3kuy h VAL 54 Cb 0.74 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3kuy h VAL 54 CO 0.15 0.16 0.03 -0.07 0.02 0.00 0.00 177.57 177.87 3kuy h LEU 55 N 0.89 0.62 -0.13 2.57 3.38 -0.87 -1.65 115.31 120.12 3kuy h LEU 55 Ca 0.42 -0.12 -0.24 0.00 0.09 0.00 0.00 57.88 58.03 3kuy h LEU 55 Cb 0.35 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kuy h LEU 55 CO -0.24 0.67 -0.94 -0.08 0.09 0.00 0.00 178.44 177.95 3kuy h GLU 56 N 0.63 0.59 -0.33 1.13 4.81 0.30 -2.62 114.58 119.09 3kuy h GLU 56 Ca 0.13 -0.59 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3kuy h GLU 56 Cb 0.35 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3kuy h GLU 56 CO 0.01 1.21 0.11 -0.92 -0.73 0.00 0.00 179.01 178.68 3kuy h TYR 57 N 0.35 0.53 -0.31 0.92 3.20 -0.60 -1.99 116.97 119.07 3kuy h TYR 57 Ca -0.09 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 3kuy h TYR 57 Cb 1.57 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 3kuy h TYR 57 CO 0.08 0.53 0.10 -0.07 -1.64 0.00 0.00 178.16 177.16 3kuy h LEU 58 N 0.38 0.45 -1.62 2.82 3.38 -1.33 -1.63 115.31 117.77 3kuy h LEU 58 Ca 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3kuy h LEU 58 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kuy h LEU 58 CO -0.00 0.53 -0.20 0.71 0.09 0.00 0.00 178.44 179.57 3kuy h THR 59 N 0.35 1.09 -0.14 0.22 1.35 -1.43 -2.01 112.91 112.34 3kuy h THR 59 Ca 0.10 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3kuy h THR 59 Cb 0.24 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3kuy h THR 59 CO -0.00 0.20 0.02 0.00 -0.25 0.00 0.00 175.52 175.48 3kuy h ALA 60 N 1.80 0.19 -0.17 6.62 0.00 -0.86 -1.37 119.26 125.46 3kuy h ALA 60 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kuy h ALA 60 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kuy h ALA 60 CO 0.03 -0.14 -0.06 1.49 0.00 0.00 0.00 179.25 180.57 3kuy h GLU 61 N 0.00 -0.02 -0.36 0.00 4.57 -0.97 0.11 114.58 117.92 3kuy h GLU 61 Ca 0.04 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 3kuy h GLU 61 Cb 0.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kuy h GLU 61 CO 0.00 -0.01 -0.29 0.97 -1.18 0.00 0.00 179.01 178.50 3kuy h ILE 62 N -0.02 1.28 -0.39 2.32 2.10 -1.37 -2.00 117.51 119.43 3kuy h ILE 62 Ca 0.09 -1.43 -0.11 0.00 1.08 0.00 0.00 64.86 64.49 3kuy h ILE 62 Cb 0.15 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 3kuy h ILE 62 CO -0.19 0.47 -0.19 -0.07 -1.08 0.00 0.00 178.15 177.09 3kuy h LEU 63 N 0.65 0.75 0.49 2.19 3.38 -1.05 0.20 115.31 121.93 3kuy h LEU 63 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3kuy h LEU 63 Cb 0.82 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3kuy h LEU 63 CO 0.07 0.94 -0.43 -0.08 0.09 0.00 0.00 178.44 179.03 3kuy h GLU 64 N 0.66 -0.88 -0.32 1.13 4.57 -0.48 0.96 114.58 120.23 3kuy h GLU 64 Ca 0.10 0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3kuy h GLU 64 Cb 0.68 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 3kuy h GLU 64 CO 0.05 -0.59 -0.00 -0.07 -1.18 0.00 0.00 179.01 177.22 3kuy h LEU 65 N -0.92 0.45 -0.51 1.64 3.38 -1.33 -2.55 115.31 115.48 3kuy h LEU 65 Ca -0.05 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3kuy h LEU 65 Cb 0.79 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kuy h LEU 65 CO -0.03 0.52 -0.30 0.00 0.09 0.00 0.00 178.44 178.72 3kuy h ALA 66 N 1.54 0.70 -0.75 1.53 0.00 -0.40 -2.77 119.26 119.11 3kuy h ALA 66 Ca 0.10 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3kuy h ALA 66 Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3kuy h ALA 66 CO 0.01 0.67 0.49 0.78 0.00 0.00 0.00 179.25 181.20 3kuy h GLY 67 N 0.88 1.05 0.95 0.00 0.00 -0.47 -1.12 103.07 104.36 3kuy h GLY 67 Ca 0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3kuy h GLY 67 CO 0.08 0.37 -0.18 3.43 0.00 0.00 0.00 176.54 180.24 3kuy h ASN 68 N 1.00 0.71 -0.58 0.19 2.35 -1.28 -0.93 115.58 117.03 3kuy h ASN 68 Ca 0.28 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3kuy h ASN 68 Cb -0.10 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 3kuy h ASN 68 CO -0.06 0.98 0.36 0.00 -1.65 0.00 0.00 177.43 177.05 3kuy h ALA 69 N 0.76 0.75 -0.82 -0.83 0.00 -1.20 0.56 119.26 118.48 3kuy h ALA 69 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kuy h ALA 69 Cb 0.72 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3kuy h ALA 69 CO 0.05 0.09 0.51 0.00 0.00 0.00 0.00 179.25 179.90 3kuy h ALA 70 N 1.25 1.10 -0.21 0.00 0.00 -1.01 -2.57 119.26 117.82 3kuy h ALA 70 Ca 0.23 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kuy h ALA 70 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kuy h ALA 70 CO -0.10 0.28 -0.21 -0.09 0.00 0.00 0.00 179.25 179.13 3kuy h ARG 71 N 0.96 0.52 0.00 0.00 2.43 0.29 -1.32 114.38 117.26 3kuy h ARG 71 Ca 0.35 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3kuy h ARG 71 Cb 0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3kuy h ARG 71 CO -0.15 0.86 0.06 -0.25 -1.51 0.00 0.00 179.97 178.98 3kuy n ASP 72 N -4.42 0.00 -0.06 -3.80 8.00 0.18 -1.31 116.55 115.16 3kuy n ASP 72 Ca -0.05 0.34 0.03 0.00 0.71 0.00 0.00 54.79 55.81 3kuy n ASP 72 Cb 0.42 -0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3kuy n ASP 72 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kuy n ASN 73 N -1.32 1.66 -1.96 -2.24 3.02 -1.04 -4.99 115.26 108.39 3kuy n ASN 73 Ca 0.00 -2.15 -0.20 0.00 -0.03 0.00 0.00 54.58 52.21 3kuy n ASN 73 Cb 0.06 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.64 -1.50 -4.18 3.52 5.02 -0.42 -4.99 118.16 114.96 3kuy n LYS 74 Ca 0.04 1.07 -0.23 0.00 -2.02 0.00 0.00 58.31 57.17 3kuy n LYS 74 Cb 0.42 -5.56 -0.07 0.00 -0.02 0.00 0.00 35.03 29.80 3kuy n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kuy s LYS 75 N -4.44 2.38 0.00 1.97 -0.14 -0.52 -5.03 119.74 113.95 3kuy s LYS 75 Ca 0.00 -1.47 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 3kuy s LYS 75 Cb 0.00 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 3kuy s LYS 75 CO 0.00 0.23 0.00 2.41 -0.76 0.00 0.00 175.35 177.23 3kuy n THR 76 N -1.05 0.00 -3.92 2.17 -1.04 -1.26 -3.86 114.28 105.32 3kuy n THR 76 Ca -0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.61 3kuy n THR 76 Cb 0.60 0.31 -0.13 0.00 -1.82 0.00 0.00 70.33 69.30 3kuy n THR 76 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3kuy s ARG 77 N -1.81 3.63 0.07 -2.82 3.52 -1.26 -5.05 118.95 115.22 3kuy s ARG 77 Ca 0.00 -0.50 -0.31 0.00 -0.13 0.00 0.00 55.73 54.79 3kuy s ARG 77 Cb 0.00 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 30.12 3kuy s ARG 77 CO 0.00 -0.08 1.78 0.42 -0.81 0.00 0.00 175.30 176.61 3kuy s ILE 78 N 1.28 2.91 0.33 4.11 1.01 -1.26 -4.98 121.20 124.61 3kuy s ILE 78 Ca 0.04 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.04 3kuy s ILE 78 Cb -0.15 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3kuy s ILE 78 CO 0.02 -0.01 0.01 0.27 0.00 0.00 0.00 174.94 175.23 3kuy s ILE 79 N 3.22 2.71 0.34 2.92 -4.36 -1.26 -5.01 121.20 119.76 3kuy s ILE 79 Ca 0.79 -1.96 0.13 0.00 -0.26 0.00 0.00 60.65 59.35 3kuy s ILE 79 Cb -0.42 -2.79 0.32 0.00 1.25 0.00 0.00 42.46 40.82 3kuy s ILE 79 CO 0.35 -0.22 1.69 -0.65 0.24 0.00 0.00 174.94 176.35 3kuy h PRO 80 N 1.81 0.40 -0.99 0.37 0.11 -1.89 0.48 132.00 132.29 3kuy h PRO 80 Ca -0.43 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.88 3kuy h PRO 80 Cb 1.25 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3kuy h PRO 80 CO 0.66 0.26 0.63 -0.09 -0.21 0.00 0.00 178.00 179.25 3kuy h ARG 81 N 0.41 0.54 -0.17 1.05 9.65 -1.82 -0.63 114.38 123.40 3kuy h ARG 81 Ca 0.71 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.41 3kuy h ARG 81 Cb 1.53 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 3kuy h ARG 81 CO -0.56 0.36 -0.48 0.45 2.80 0.00 0.00 179.97 182.53 3kuy h HIS 82 N 0.55 0.56 -0.53 2.20 3.86 -0.38 0.24 115.15 121.65 3kuy h HIS 82 Ca 0.57 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.51 3kuy h HIS 82 Cb 1.18 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 3kuy h HIS 82 CO -0.00 0.85 -0.01 -0.07 0.86 0.00 0.00 177.93 179.56 3kuy h LEU 83 N 0.36 0.93 -0.47 2.43 3.38 -1.07 -1.97 115.31 118.92 3kuy h LEU 83 Ca 0.02 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3kuy h LEU 83 Cb 0.98 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3kuy h LEU 83 CO 0.09 1.02 -0.06 -0.61 0.09 0.00 0.00 178.44 178.97 3kuy h GLN 84 N 0.82 0.86 -0.34 1.13 5.75 -0.85 -1.52 115.11 120.98 3kuy h GLN 84 Ca 0.15 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3kuy h GLN 84 Cb 0.55 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 3kuy h GLN 84 CO 0.03 0.94 0.15 -0.07 -2.65 0.00 0.00 178.83 177.22 3kuy h LEU 85 N 0.71 0.20 0.08 -2.39 3.38 -0.83 -0.45 115.31 116.01 3kuy h LEU 85 Ca 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kuy h LEU 85 Cb 0.58 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kuy h LEU 85 CO 0.03 0.15 -0.07 0.00 0.09 0.00 0.00 178.44 178.65 3kuy h ALA 86 N 1.19 -0.84 -0.55 1.53 0.00 -1.04 0.24 119.26 119.78 3kuy h ALA 86 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3kuy h ALA 86 Cb 0.08 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3kuy h ALA 86 CO -0.12 -0.84 -0.36 0.28 0.00 0.00 0.00 179.25 178.21 3kuy h VAL 87 N -0.15 0.15 0.00 0.00 2.07 -1.31 -2.02 116.25 114.99 3kuy h VAL 87 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3kuy h VAL 87 Cb 0.13 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3kuy h VAL 87 CO -0.00 0.00 -0.26 0.03 0.02 0.00 0.00 177.57 177.36 3kuy h ARG 88 N -0.20 0.00 -0.01 1.57 2.47 -1.05 -2.11 114.38 115.05 3kuy h ARG 88 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3kuy h ARG 88 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3kuy h ARG 88 CO -0.66 0.26 -0.14 0.09 0.56 0.00 0.00 179.97 180.08 3kuy n ASN 89 N -3.45 0.95 -4.21 7.04 3.02 0.07 -4.75 115.26 113.93 3kuy n ASN 89 Ca -0.00 -0.96 -0.36 0.00 -0.03 0.00 0.00 54.58 53.22 3kuy n ASN 89 Cb 0.44 0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.35 5.14 0.23 6.41 2.15 -0.85 -5.01 116.67 122.39 3kuy s ASP 90 Ca 0.30 -1.35 -0.03 0.00 0.43 0.00 0.00 52.55 51.90 3kuy s ASP 90 Cb 0.20 -1.80 0.46 0.00 -0.30 0.00 0.00 42.92 41.48 3kuy s ASP 90 CO 0.46 -0.34 1.23 -0.62 -0.17 0.00 0.00 175.17 175.72 3kuy n GLU 91 N 4.70 -0.07 0.04 4.34 1.02 -1.26 -0.77 120.64 128.64 3kuy n GLU 91 Ca -0.11 1.21 -0.19 0.00 -0.02 0.00 0.00 57.16 58.04 3kuy n GLU 91 Cb 0.43 -1.85 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 3kuy n GLU 91 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kuy h GLU 92 N 0.00 0.30 -0.73 3.49 5.08 -1.95 -2.53 114.58 118.24 3kuy h GLU 92 Ca 0.42 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kuy h GLU 92 Cb 0.73 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3kuy h GLU 92 CO -0.78 1.21 0.45 -0.07 -1.00 0.00 0.00 179.01 178.81 3kuy h LEU 93 N -0.37 0.87 -0.89 1.33 3.38 -1.62 -0.15 115.31 117.86 3kuy h LEU 93 Ca -0.12 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3kuy h LEU 93 Cb 1.55 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.99 3kuy h LEU 93 CO 0.14 0.67 0.49 -1.13 0.09 0.00 0.00 178.44 178.69 3kuy h ASN 94 N 0.99 0.62 -0.19 -0.43 -1.24 -0.37 -1.96 115.58 113.00 3kuy h ASN 94 Ca 0.26 0.09 -0.18 0.00 0.71 0.00 0.00 56.30 57.18 3kuy h ASN 94 Cb -0.05 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 38.99 3kuy h ASN 94 CO -0.05 0.26 -0.59 0.50 -1.29 0.00 0.00 177.43 176.26 3kuy h LYS 95 N 0.69 0.74 -0.75 6.67 3.64 -0.89 -1.30 116.57 125.37 3kuy h LYS 95 Ca 0.48 -0.54 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3kuy h LYS 95 Cb 0.66 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 3kuy h LYS 95 CO -0.35 1.16 0.50 1.25 -2.27 0.00 0.00 179.45 179.74 3kuy h LEU 96 N 0.46 0.52 -3.66 5.20 5.85 -0.61 -2.33 115.31 120.74 3kuy h LEU 96 Ca -0.02 0.02 -0.41 0.00 0.84 0.00 0.00 57.88 58.31 3kuy h LEU 96 Cb 1.22 -0.09 -0.33 0.00 0.37 0.00 0.00 40.66 41.83 3kuy h LEU 96 CO 0.13 0.29 -0.77 0.18 -0.34 0.00 0.00 178.44 177.93 3kuy n LEU 97 N -4.50 4.19 0.00 2.25 4.77 -0.78 -4.76 117.00 118.17 3kuy n LEU 97 Ca 0.13 -4.42 0.13 0.00 -0.03 0.00 0.00 56.01 51.82 3kuy n LEU 97 Cb 0.41 -0.33 0.64 0.00 -2.33 0.00 0.00 43.42 41.81 3kuy n LEU 97 CO 0.32 1.87 0.95 0.61 -1.33 0.00 0.00 177.39 179.82 3kuy n GLY 98 N -0.77 -1.33 2.53 -0.72 0.00 -0.50 -3.06 105.19 101.33 3kuy n GLY 98 Ca 0.36 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.40 2.37 -4.22 1.61 1.74 -1.26 -5.04 116.66 110.47 3kuy n ARG 99 Ca 0.10 -3.81 -0.17 0.00 -0.77 0.00 0.00 57.85 53.20 3kuy n ARG 99 Cb 0.27 -1.80 -0.15 0.00 -1.02 0.00 0.00 32.46 29.76 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 -4.18 0.51 -0.14 1.55 1.01 -1.17 -5.14 120.40 112.83 3kuy s VAL 100 Ca 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3kuy s VAL 100 Cb 0.40 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 3kuy s VAL 100 CO -0.03 0.15 -0.14 -0.89 0.00 0.00 0.00 175.10 174.19 3kuy s THR 101 N -0.04 2.94 -0.48 3.92 2.01 -1.26 -5.04 115.64 117.69 3kuy s THR 101 Ca 0.01 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 3kuy s THR 101 Cb -0.04 -2.24 0.07 0.00 0.01 0.00 0.00 72.50 70.30 3kuy s THR 101 CO -0.00 0.52 0.46 -0.63 -0.69 0.00 0.00 174.62 174.27 3kuy s ILE 102 N 0.51 5.14 0.22 1.82 1.01 -1.26 -5.03 121.20 123.61 3kuy s ILE 102 Ca -0.09 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 3kuy s ILE 102 Cb -0.16 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.99 3kuy s ILE 102 CO 0.04 -0.63 0.93 0.00 0.00 0.00 0.00 174.94 175.28 3kuy n ALA 103 N 5.47 -1.19 -1.92 9.38 0.00 -1.26 -2.12 120.51 128.87 3kuy n ALA 103 Ca -0.11 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 3kuy n ALA 103 Cb 0.44 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 1.09 -1.36 0.00 0.00 1.13 -1.26 -4.84 117.38 112.14 3kuy n GLN 104 Ca 0.14 1.02 0.11 0.00 -1.94 0.00 0.00 57.00 56.32 3kuy n GLN 104 Cb 0.27 -5.42 -0.03 0.00 0.11 0.00 0.00 30.24 25.18 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 -0.86 -0.82 7.00 1.08 0.00 -0.90 -3.39 105.19 107.29 3kuy n GLY 105 Ca -0.20 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.48 1.00 3.33 -0.02 0.00 -1.26 -4.66 105.19 105.06 3kuy n GLY 106 Ca 0.06 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 0.69 0.02 1.61 -7.23 -1.26 -5.06 120.40 109.18 3kuy s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3kuy s VAL 107 Cb 0.00 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3kuy s VAL 107 CO 0.00 -0.05 1.13 -0.76 -0.31 0.00 0.00 175.10 175.11 3kuy s LEU 108 N -3.33 4.35 -0.15 1.32 1.43 -1.26 -4.95 118.68 116.09 3kuy s LEU 108 Ca 0.36 1.87 -0.35 0.00 -1.03 0.00 0.00 54.13 54.98 3kuy s LEU 108 Cb 0.08 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 3kuy s LEU 108 CO 0.13 -0.42 1.89 -2.65 0.23 0.00 0.00 176.35 175.53 3kuy n PRO 109 N 4.12 1.89 -3.15 1.29 -0.02 -1.26 -4.89 135.00 132.98 3kuy n PRO 109 Ca 0.08 0.68 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 3kuy n PRO 109 Cb 0.48 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3kuy n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kuy s ASN 110 N 4.33 -1.30 -0.21 2.55 2.47 -1.26 -5.14 114.94 116.38 3kuy s ASN 110 Ca 0.95 0.67 -0.08 0.00 0.42 0.00 0.00 52.86 54.82 3kuy s ASN 110 Cb -0.77 2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 41.02 3kuy s ASN 110 CO 0.54 -0.24 0.09 -0.63 -3.72 0.00 0.00 177.10 173.14 3kuy s ILE 111 N 2.87 4.83 0.36 -5.21 1.01 -1.26 -5.09 121.20 118.71 3kuy s ILE 111 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3kuy s ILE 111 Cb -0.13 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 3kuy s ILE 111 CO -0.21 0.41 1.30 -1.10 0.00 0.00 0.00 174.94 175.34 3kuy s GLN 112 N 0.77 4.22 0.01 2.79 -1.52 -1.26 -4.96 119.66 119.71 3kuy s GLN 112 Ca 0.05 2.19 -0.02 0.00 -1.95 0.00 0.00 55.36 55.63 3kuy s GLN 112 Cb -0.13 -2.95 -0.00 0.00 -0.22 0.00 0.00 33.01 29.70 3kuy s GLN 112 CO 0.02 -0.30 1.00 0.43 -0.25 0.00 0.00 175.29 176.20 3kuy n SER 113 N 0.55 -0.05 0.31 5.90 7.64 -1.26 -1.86 113.62 124.85 3kuy n SER 113 Ca 0.01 1.02 0.08 0.00 1.01 0.00 0.00 58.87 60.99 3kuy n SER 113 Cb 0.42 -0.47 0.44 0.00 -1.01 0.00 0.00 64.21 63.59 3kuy n SER 113 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3kuy h VAL 114 N 0.00 0.00 0.00 0.44 -1.51 -2.02 0.18 116.25 113.34 3kuy h VAL 114 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3kuy h VAL 114 Cb 0.02 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 29.54 3kuy h VAL 114 CO -0.05 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.22 3kuy h LEU 115 N 0.00 0.00 -9.97 4.19 3.38 -1.75 -3.46 115.31 107.70 3kuy h LEU 115 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3kuy h LEU 115 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3kuy h LEU 115 CO 0.00 0.00 0.39 -0.76 0.09 0.00 0.00 178.44 178.16 3kuy s LEU 116 N -5.93 4.12 1.17 1.67 1.43 0.63 -5.04 118.68 116.72 3kuy s LEU 116 Ca 0.07 1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 3kuy s LEU 116 Cb 0.06 -4.24 0.27 0.00 0.03 0.00 0.00 46.19 42.32 3kuy s LEU 116 CO 0.65 -0.43 1.06 -2.16 0.23 0.00 0.00 176.35 175.70 3kuy s PRO 117 N -2.58 -0.94 1.95 1.29 0.04 -1.26 -4.86 135.00 128.64 3kuy s PRO 117 Ca 0.58 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3kuy s PRO 117 Cb -0.19 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3kuy s PRO 117 CO 0.24 -3.61 0.00 0.36 0.04 0.00 0.00 177.00 174.03 3kuy n LYS 118 N -4.76 0.00 0.00 4.56 2.85 -1.26 -5.16 118.16 114.39 3kuy n LYS 118 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3kuy n LYS 118 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 3kuy n LYS 118 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71