#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n HIS 3 N 0.00 0.39 -0.19 -1.55 8.25 -1.26 -4.49 115.22 116.38 3kiy n HIS 3 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 3kiy n HIS 3 Cb 0.00 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.53 3kiy n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3kiy n LEU 4 N 1.18 -0.88 0.00 2.41 7.94 -1.26 -5.04 117.00 121.36 3kiy n LEU 4 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 3kiy n LEU 4 Cb 0.07 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 43.71 3kiy n LEU 4 CO 0.46 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.03 3kiy n LYS 5 N 1.65 0.00 -3.64 1.96 4.76 -1.26 -5.05 118.16 116.59 3kiy n LYS 5 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 3kiy n LYS 5 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 3kiy n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kiy s SER 6 N 0.00 -0.89 0.00 4.39 1.04 -1.26 -5.19 113.70 111.78 3kiy s SER 6 Ca 0.00 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.91 3kiy s SER 6 Cb 0.00 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.52 3kiy s SER 6 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3kiy n GLY 7 N 3.93 3.07 0.00 7.32 0.00 -1.26 -5.07 105.19 113.18 3kiy n GLY 7 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3kiy n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 8 N 0.00 0.00 -1.74 1.61 3.00 -1.26 -5.14 116.66 113.13 3kiy n ARG 8 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.45 3kiy n ARG 8 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.50 3kiy n ARG 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kiy n LYS 9 N 0.00 1.65 -3.20 5.56 2.85 -1.26 -5.05 118.16 118.71 3kiy n LYS 9 Ca 0.00 0.61 0.04 0.00 -1.05 0.00 0.00 58.31 57.91 3kiy n LYS 9 Cb 0.00 -2.55 -0.02 0.00 -0.65 0.00 0.00 35.03 31.81 3kiy n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kiy s LEU 10 N -3.37 -1.12 -0.34 -5.58 1.43 -1.26 -5.11 118.68 103.34 3kiy s LEU 10 Ca 0.72 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 3kiy s LEU 10 Cb -0.42 1.97 0.10 0.00 0.03 0.00 0.00 46.19 47.87 3kiy s LEU 10 CO 0.49 -0.21 0.05 0.21 0.23 0.00 0.00 176.35 177.12 3kiy s ASN 11 N 2.87 4.81 0.00 2.29 3.84 -1.26 -4.98 114.94 122.51 3kiy s ASN 11 Ca 0.13 -2.02 0.00 0.00 0.21 0.00 0.00 52.86 51.17 3kiy s ASN 11 Cb -0.13 -1.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 3kiy s ASN 11 CO -0.18 -0.38 0.00 0.54 -2.79 0.00 0.00 177.10 174.29 3kiy n ARG 12 N 4.33 -2.24 -3.97 0.43 1.74 -1.26 -4.94 116.66 110.75 3kiy n ARG 12 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3kiy n ARG 12 Cb 0.42 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.83 3kiy n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kiy s HIS 13 N -2.08 3.42 0.00 -1.55 -3.43 -1.26 -4.78 115.29 105.61 3kiy s HIS 13 Ca 0.00 0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 3kiy s HIS 13 Cb 0.00 -1.62 0.00 0.00 -1.43 0.00 0.00 32.58 29.53 3kiy s HIS 13 CO 0.00 0.51 0.28 -1.13 -2.00 0.00 0.00 174.74 172.40 3kiy n SER 14 N -0.67 0.00 -0.12 7.38 3.41 -1.26 -0.66 113.62 121.71 3kiy n SER 14 Ca -0.08 0.28 -0.03 0.00 -0.26 0.00 0.00 58.87 58.79 3kiy n SER 14 Cb 0.55 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3kiy n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kiy n SER 15 N -1.34 -0.29 0.04 4.04 2.88 -1.26 -1.45 113.62 116.23 3kiy n SER 15 Ca 0.00 0.95 -0.10 0.00 -1.33 0.00 0.00 58.87 58.39 3kiy n SER 15 Cb 0.00 -0.29 -0.04 0.00 -0.75 0.00 0.00 64.21 63.13 3kiy n SER 15 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3kiy h HIS 16 N 0.00 -0.53 -0.89 0.66 -0.00 -1.60 -1.78 115.15 111.01 3kiy h HIS 16 Ca 0.04 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.58 3kiy h HIS 16 Cb 0.11 0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.69 3kiy h HIS 16 CO -0.72 -0.28 0.57 -0.09 -0.00 0.00 0.00 177.93 177.41 3kiy h ARG 17 N -0.30 0.66 0.11 5.26 2.43 0.02 0.27 114.38 122.84 3kiy h ARG 17 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kiy h ARG 17 Cb 0.40 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3kiy h ARG 17 CO -0.22 0.44 -0.05 1.25 -1.51 0.00 0.00 179.97 179.88 3kiy h LEU 18 N 0.68 -0.12 -1.25 3.80 6.46 -0.90 -2.73 115.31 121.26 3kiy h LEU 18 Ca 0.45 -0.44 0.21 0.00 -0.12 0.00 0.00 57.88 57.98 3kiy h LEU 18 Cb 0.73 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.60 3kiy h LEU 18 CO -0.21 0.43 0.62 0.00 -0.62 0.00 0.00 178.44 178.67 3kiy h ALA 19 N 0.01 1.97 0.40 1.25 0.00 -0.75 0.05 119.26 122.19 3kiy h ALA 19 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kiy h ALA 19 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3kiy h ALA 19 CO 0.02 -0.33 -0.50 1.25 0.00 0.00 0.00 179.25 179.69 3kiy h LEU 20 N 0.56 -1.41 -0.49 0.00 5.85 -0.29 -0.06 115.31 119.47 3kiy h LEU 20 Ca 0.55 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.47 3kiy h LEU 20 Cb 1.14 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 42.55 3kiy h LEU 20 CO -0.30 -0.63 -0.42 1.88 -0.34 0.00 0.00 178.44 178.63 3kiy h TYR 21 N -0.93 -1.23 0.22 1.25 0.99 -0.71 -1.91 116.97 114.65 3kiy h TYR 21 Ca -0.05 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kiy h TYR 21 Cb 0.83 0.61 -0.03 0.00 1.00 0.00 0.00 36.73 39.13 3kiy h TYR 21 CO -0.30 -0.43 -0.46 0.00 -0.00 0.00 0.00 178.16 176.97 3kiy h ARG 22 N -0.27 -0.71 0.00 4.88 3.08 -1.08 0.50 114.38 120.78 3kiy h ARG 22 Ca 0.16 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kiy h ARG 22 Cb 0.57 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3kiy h ARG 22 CO -0.63 -0.47 0.64 -0.91 -1.07 0.00 0.00 179.97 177.53 3kiy h ASN 23 N -0.74 0.00 0.00 7.04 -0.26 -0.48 0.18 115.58 121.32 3kiy h ASN 23 Ca -0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.60 3kiy h ASN 23 Cb 0.70 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 3kiy h ASN 23 CO -0.19 0.00 -1.26 0.00 -1.06 0.00 0.00 177.43 174.92 3kiy n GLN 24 N -2.56 0.53 -0.32 0.81 6.02 -0.30 -3.66 117.38 117.90 3kiy n GLN 24 Ca -0.01 0.32 0.17 0.00 -0.01 0.00 0.00 57.00 57.47 3kiy n GLN 24 Cb 0.66 -1.53 0.36 0.00 1.02 0.00 0.00 30.24 30.75 3kiy n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kiy h ALA 25 N -0.95 1.47 -0.28 -1.58 0.00 0.12 0.64 119.26 118.67 3kiy h ALA 25 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kiy h ALA 25 Cb 1.06 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3kiy h ALA 25 CO -0.11 -0.57 0.18 0.87 0.00 0.00 0.00 179.25 179.62 3kiy h LYS 26 N 0.15 0.37 -0.13 0.00 1.57 -0.89 0.12 116.57 117.75 3kiy h LYS 26 Ca 0.63 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.38 3kiy h LYS 26 Cb 1.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3kiy h LYS 26 CO -0.72 0.24 0.05 0.77 -0.57 0.00 0.00 179.45 179.22 3kiy h SER 27 N 0.38 0.19 -0.11 0.86 0.02 -0.03 -3.07 113.55 111.78 3kiy h SER 27 Ca 0.10 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3kiy h SER 27 Cb -0.04 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3kiy h SER 27 CO -0.03 0.31 -0.03 0.25 -1.14 0.00 0.00 176.83 176.20 3kiy h LEU 28 N 0.05 -0.11 -1.44 5.07 7.12 -0.04 0.20 115.31 126.17 3kiy h LEU 28 Ca 0.04 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.09 3kiy h LEU 28 Cb 0.19 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 3kiy h LEU 28 CO -0.00 -0.04 0.00 0.18 -0.13 0.00 0.00 178.44 178.45 3kiy n LEU 29 N -5.15 1.13 0.00 2.25 4.32 0.38 0.02 117.00 119.95 3kiy n LEU 29 Ca -0.04 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 3kiy n LEU 29 Cb 0.08 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 3kiy n LEU 29 CO 0.28 0.22 -0.16 0.41 -1.22 0.00 0.00 177.39 176.91 3kiy n THR 30 N 0.42 0.00 1.01 -5.08 -1.04 -0.25 -4.82 114.28 104.51 3kiy n THR 30 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3kiy n THR 30 Cb 0.22 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 3kiy n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kiy n HIS 31 N -2.30 0.00 0.00 -1.42 8.25 -0.10 -4.97 115.22 114.68 3kiy n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kiy n HIS 31 Cb 0.16 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3kiy n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiy n GLY 32 N 1.47 0.99 3.00 -1.41 0.00 0.10 -4.80 105.19 104.53 3kiy n GLY 32 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3kiy n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiy s ARG 33 N 0.00 2.10 0.18 1.61 3.00 -1.26 -1.72 118.95 122.87 3kiy s ARG 33 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 55.73 55.35 3kiy s ARG 33 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 34.95 32.96 3kiy s ARG 33 CO 0.00 -0.22 -0.20 0.42 0.00 0.00 0.00 175.30 175.30 3kiy s ILE 34 N 1.47 2.60 -0.22 1.52 -1.09 -0.66 -4.95 121.20 119.87 3kiy s ILE 34 Ca 0.03 -1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 56.56 3kiy s ILE 34 Cb -0.13 -2.25 0.06 0.00 -1.58 0.00 0.00 42.46 38.56 3kiy s ILE 34 CO -0.09 -0.09 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.62 3kiy s THR 35 N -1.62 1.18 0.00 2.92 2.01 -1.26 0.02 115.64 118.88 3kiy s THR 35 Ca 0.21 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3kiy s THR 35 Cb -0.08 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.89 3kiy s THR 35 CO 0.11 -0.16 0.00 0.35 -0.69 0.00 0.00 174.62 174.23 3kiy n THR 36 N 4.80 0.00 -2.54 -0.82 -2.24 -1.15 -4.99 114.28 107.34 3kiy n THR 36 Ca -0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 3kiy n THR 36 Cb 0.45 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3kiy n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kiy s THR 37 N -1.23 3.68 0.15 4.28 -4.23 -1.26 -1.90 115.64 115.13 3kiy s THR 37 Ca 0.00 1.41 -0.28 0.00 -1.18 0.00 0.00 61.69 61.64 3kiy s THR 37 Cb 0.00 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 3kiy s THR 37 CO 0.00 0.13 1.43 0.52 -0.54 0.00 0.00 174.62 176.16 3kiy n VAL 38 N 0.37 -0.63 0.09 2.29 0.31 -1.19 -1.21 118.33 118.36 3kiy n VAL 38 Ca 0.03 2.24 -0.12 0.00 -0.01 0.00 0.00 64.34 66.48 3kiy n VAL 38 Cb 0.48 -2.78 -0.05 0.00 -0.91 0.00 0.00 33.84 30.58 3kiy n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kiy h PRO 39 N 0.00 -0.44 -1.01 5.55 0.11 -1.92 0.30 132.00 134.60 3kiy h PRO 39 Ca 0.16 0.03 0.25 0.00 0.11 0.00 0.00 66.00 66.55 3kiy h PRO 39 Cb 0.39 0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 3kiy h PRO 39 CO -0.87 -0.29 0.66 0.87 -0.21 0.00 0.00 178.00 178.15 3kiy h LYS 40 N -0.46 0.36 0.35 1.05 1.57 -1.75 -0.88 116.57 116.82 3kiy h LYS 40 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3kiy h LYS 40 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kiy h LYS 40 CO -0.20 0.24 -0.17 0.00 -0.57 0.00 0.00 179.45 178.75 3kiy h ALA 41 N 1.60 -0.59 -0.04 3.86 0.00 0.39 -2.31 119.26 122.17 3kiy h ALA 41 Ca 0.55 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3kiy h ALA 41 Cb 1.45 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 3kiy h ALA 41 CO -0.24 -0.55 0.50 0.87 0.00 0.00 0.00 179.25 179.83 3kiy h LYS 42 N -0.88 0.00 0.10 0.00 1.57 0.29 0.15 116.57 117.80 3kiy h LYS 42 Ca -0.05 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 3kiy h LYS 42 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3kiy h LYS 42 CO 0.08 0.00 -1.60 1.49 -0.57 0.00 0.00 179.45 178.85 3kiy h GLU 43 N 0.00 0.21 -0.93 3.15 4.57 -1.20 -3.34 114.58 117.04 3kiy h GLU 43 Ca 0.02 -0.36 0.12 0.00 -1.18 0.00 0.00 59.36 57.96 3kiy h GLU 43 Cb 1.02 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.67 3kiy h GLU 43 CO -0.00 1.17 0.59 1.25 -1.18 0.00 0.00 179.01 180.85 3kiy h LEU 44 N -0.29 0.80 0.00 1.64 7.12 -0.15 -3.07 115.31 121.35 3kiy h LEU 44 Ca -0.36 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.69 3kiy h LEU 44 Cb 1.78 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 3kiy h LEU 44 CO 0.02 0.44 0.00 -1.14 -0.13 0.00 0.00 178.44 177.63 3kiy n ARG 45 N -4.57 0.00 -0.29 1.25 0.63 -0.52 -1.34 116.66 111.83 3kiy n ARG 45 Ca 0.17 0.64 -0.05 0.00 -0.92 0.00 0.00 57.85 57.69 3kiy n ARG 45 Cb 0.37 -1.00 0.07 0.00 0.45 0.00 0.00 32.46 32.35 3kiy n ARG 45 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kiy h GLY 46 N 0.00 1.15 0.58 5.14 0.00 -1.74 -3.04 103.07 105.16 3kiy h GLY 46 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.90 3kiy h GLY 46 CO 0.00 0.47 0.21 -2.75 0.00 0.00 0.00 176.54 174.47 3kiy h PHE 47 N 1.08 0.38 -0.12 5.60 3.57 -1.25 -2.83 116.94 123.36 3kiy h PHE 47 Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3kiy h PHE 47 Cb -0.02 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3kiy h PHE 47 CO -0.00 0.15 0.01 -0.24 -2.23 0.00 0.00 178.31 175.99 3kiy h VAL 48 N 0.41 1.23 -0.58 1.41 3.04 -1.18 -3.26 116.25 117.34 3kiy h VAL 48 Ca 0.24 -0.73 0.08 0.00 -1.01 0.00 0.00 66.70 65.28 3kiy h VAL 48 Cb 0.23 1.50 -0.10 0.00 -2.01 0.00 0.00 31.29 30.90 3kiy h VAL 48 CO -0.22 0.21 -0.47 0.44 -1.01 0.00 0.00 177.57 176.53 3kiy h ASP 49 N -0.05 -1.60 -1.05 3.17 5.19 -1.39 0.24 116.42 120.93 3kiy h ASP 49 Ca 0.03 0.25 0.28 0.00 -0.62 0.00 0.00 57.03 56.98 3kiy h ASP 49 Cb 0.32 0.71 -0.11 0.00 0.18 0.00 0.00 39.33 40.43 3kiy h ASP 49 CO 0.00 -0.34 0.66 -0.74 -3.12 0.00 0.00 179.24 175.70 3kiy h HIS 50 N -0.24 0.78 -0.20 4.55 2.76 -1.56 0.14 115.15 121.38 3kiy h HIS 50 Ca 0.16 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.21 3kiy h HIS 50 Cb 0.56 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3kiy h HIS 50 CO -0.73 0.02 -0.47 -0.07 -1.30 0.00 0.00 177.93 175.37 3kiy h LEU 51 N 0.41 0.76 0.80 0.26 4.07 -0.63 -2.07 115.31 118.91 3kiy h LEU 51 Ca 0.64 -0.57 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3kiy h LEU 51 Cb 1.54 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 43.07 3kiy h LEU 51 CO -0.39 1.18 -0.38 0.40 -1.08 0.00 0.00 178.44 178.17 3kiy h ILE 52 N 0.36 0.00 -0.86 1.22 1.08 0.21 0.17 117.51 119.68 3kiy h ILE 52 Ca -0.00 -0.01 0.25 0.00 -0.39 0.00 0.00 64.86 64.71 3kiy h ILE 52 Cb 1.08 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 3kiy h ILE 52 CO 0.10 0.00 0.69 -0.74 -0.69 0.00 0.00 178.15 177.51 3kiy h HIS 53 N -1.08 0.00 0.03 1.37 2.76 -0.89 1.29 115.15 118.63 3kiy h HIS 53 Ca -0.11 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.84 3kiy h HIS 53 Cb 0.82 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3kiy h HIS 53 CO 0.05 0.00 -1.03 1.25 -1.30 0.00 0.00 177.93 176.89 3kiy h LEU 54 N 0.00 0.13 -0.93 0.26 5.85 -0.85 -2.96 115.31 116.81 3kiy h LEU 54 Ca 0.41 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3kiy h LEU 54 Cb 1.79 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3kiy h LEU 54 CO -0.00 1.08 -0.18 0.00 -0.34 0.00 0.00 178.44 178.99 3kiy h ALA 55 N 0.91 0.98 0.03 1.25 0.00 0.36 -3.08 119.26 119.70 3kiy h ALA 55 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kiy h ALA 55 Cb 1.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3kiy h ALA 55 CO 0.15 0.23 -0.01 0.87 0.00 0.00 0.00 179.25 180.48 3kiy h LYS 56 N 0.00 -0.04 -2.06 0.00 1.57 -0.66 -2.66 116.57 112.72 3kiy h LYS 56 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3kiy h LYS 56 Cb 0.80 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3kiy h LYS 56 CO 0.02 0.27 -0.06 2.89 -0.57 0.00 0.00 179.45 182.00 3kiy n ARG 57 N -4.96 1.04 0.00 3.15 1.85 -1.16 -4.82 116.66 111.76 3kiy n ARG 57 Ca -0.08 -0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.53 3kiy n ARG 57 Cb 0.18 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 3kiy n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kiy n GLY 58 N 1.89 0.00 3.41 2.89 0.00 -1.01 -4.80 105.19 107.58 3kiy n GLY 58 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3kiy n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kiy n ASP 59 N 0.00 -1.74 -0.19 1.61 5.68 -1.26 -4.65 116.55 115.99 3kiy n ASP 59 Ca 0.00 0.65 -0.00 0.00 -0.50 0.00 0.00 54.79 54.94 3kiy n ASP 59 Cb 0.00 -1.12 0.08 0.00 -1.14 0.00 0.00 41.12 38.94 3kiy n ASP 59 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kiy h LEU 60 N -0.05 -0.38 -0.64 -2.12 5.85 -2.00 -1.36 115.31 114.61 3kiy h LEU 60 Ca -0.45 0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.57 3kiy h LEU 60 Cb 1.39 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 42.61 3kiy h LEU 60 CO 0.44 -0.15 0.04 -0.74 -0.34 0.00 0.00 178.44 177.69 3kiy h HIS 61 N 0.06 0.04 -0.62 1.25 2.76 -1.95 0.41 115.15 117.10 3kiy h HIS 61 Ca 0.30 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 3kiy h HIS 61 Cb 0.47 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 3kiy h HIS 61 CO -0.41 -0.14 0.41 0.00 -1.30 0.00 0.00 177.93 176.49 3kiy h ALA 62 N 1.57 0.78 -0.51 5.26 0.00 -1.57 -0.48 119.26 124.31 3kiy h ALA 62 Ca 0.34 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.31 3kiy h ALA 62 Cb 0.56 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3kiy h ALA 62 CO -0.52 0.21 0.03 -0.09 0.00 0.00 0.00 179.25 178.88 3kiy h ARG 63 N 0.83 0.15 0.00 0.00 2.43 -0.51 0.42 114.38 117.70 3kiy h ARG 63 Ca 0.23 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3kiy h ARG 63 Cb -0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3kiy h ARG 63 CO -0.05 0.10 -0.18 0.00 -1.51 0.00 0.00 179.97 178.33 3kiy h ARG 64 N 0.15 0.00 -0.03 0.20 3.08 -0.31 -0.34 114.38 117.13 3kiy h ARG 64 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 3kiy h ARG 64 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kiy h ARG 64 CO -0.40 0.18 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.32 3kiy h LEU 65 N 0.00 0.32 -0.93 3.04 4.07 0.13 -3.10 115.31 118.83 3kiy h LEU 65 Ca -0.00 -0.70 -0.06 0.00 0.08 0.00 0.00 57.88 57.20 3kiy h LEU 65 Cb 0.32 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3kiy h LEU 65 CO 0.02 0.97 -0.26 0.58 -1.08 0.00 0.00 178.44 178.67 3kiy h VAL 66 N -0.31 0.60 0.00 1.22 2.07 -0.48 -2.43 116.25 116.92 3kiy h VAL 66 Ca -0.03 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3kiy h VAL 66 Cb 0.99 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3kiy h VAL 66 CO 0.06 0.26 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 3kiy h LEU 67 N 0.00 0.00 -0.02 2.57 7.12 -1.02 -2.22 115.31 121.74 3kiy h LEU 67 Ca -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 3kiy h LEU 67 Cb 0.84 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.97 3kiy h LEU 67 CO 0.03 0.11 0.01 0.03 -0.13 0.00 0.00 178.44 178.49 3kiy h ARG 68 N 0.00 0.03 0.07 1.25 3.08 -1.36 -3.34 114.38 114.11 3kiy h ARG 68 Ca -0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3kiy h ARG 68 Cb 0.40 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3kiy h ARG 68 CO 0.01 0.22 -0.48 -0.44 -1.07 0.00 0.00 179.97 178.21 3kiy h ASP 69 N -0.17 0.30 -3.05 7.04 5.19 -1.66 -3.42 116.42 120.65 3kiy h ASP 69 Ca 0.01 -0.93 -0.61 0.00 -0.62 0.00 0.00 57.03 54.87 3kiy h ASP 69 Cb 0.21 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 3kiy h ASP 69 CO -0.00 1.21 -0.22 -0.76 -3.12 0.00 0.00 179.24 176.35 3kiy s LEU 70 N -8.09 4.43 -0.01 1.55 1.43 -0.85 -4.84 118.68 112.30 3kiy s LEU 70 Ca -0.15 0.89 0.14 0.00 -1.03 0.00 0.00 54.13 53.98 3kiy s LEU 70 Cb -0.00 -2.56 -0.19 0.00 0.03 0.00 0.00 46.19 43.47 3kiy s LEU 70 CO 0.78 0.28 0.47 1.67 0.23 0.00 0.00 176.35 179.77 3kiy n GLN 71 N 2.16 1.41 -2.20 1.70 -0.06 -1.26 -4.19 117.38 114.93 3kiy n GLN 71 Ca -0.13 -0.06 -0.40 0.00 -2.00 0.00 0.00 57.00 54.40 3kiy n GLN 71 Cb 0.52 -1.26 -0.03 0.00 -4.06 0.00 0.00 30.24 25.42 3kiy n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kiy s ASP 72 N -2.99 5.75 0.24 1.69 3.68 -1.26 -4.86 116.67 118.91 3kiy s ASP 72 Ca 0.00 0.40 -0.07 0.00 2.13 0.00 0.00 52.55 55.01 3kiy s ASP 72 Cb 0.10 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.44 3kiy s ASP 72 CO 0.60 -1.99 1.66 0.58 0.13 0.00 0.00 175.17 176.15 3kiy h VAL 73 N 6.62 0.45 0.13 1.11 2.07 -1.96 0.29 116.25 124.96 3kiy h VAL 73 Ca -0.28 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3kiy h VAL 73 Cb 1.13 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3kiy h VAL 73 CO 1.18 0.03 -0.49 0.50 0.02 0.00 0.00 177.57 178.81 3kiy h LYS 74 N 0.17 -0.69 -0.70 1.57 1.63 -2.01 -2.12 116.57 114.42 3kiy h LYS 74 Ca 0.39 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.26 3kiy h LYS 74 Cb 0.66 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.41 3kiy h LYS 74 CO -0.56 -0.46 0.46 1.25 -3.45 0.00 0.00 179.45 176.69 3kiy h LEU 75 N -0.72 0.75 -1.02 5.20 7.12 -1.53 -1.77 115.31 123.34 3kiy h LEU 75 Ca -0.01 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 3kiy h LEU 75 Cb 0.71 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 3kiy h LEU 75 CO -0.26 0.52 0.48 1.62 -0.13 0.00 0.00 178.44 180.67 3kiy h VAL 76 N 0.87 1.24 0.80 1.05 3.04 -0.09 -1.58 116.25 121.58 3kiy h VAL 76 Ca 0.28 -0.57 -0.04 0.00 -1.01 0.00 0.00 66.70 65.35 3kiy h VAL 76 Cb 0.03 0.08 0.01 0.00 -2.01 0.00 0.00 31.29 29.39 3kiy h VAL 76 CO -0.07 0.26 -0.41 0.03 -1.01 0.00 0.00 177.57 176.37 3kiy h ARG 77 N 1.17 -1.07 -1.51 4.17 3.08 -0.67 0.00 114.38 119.56 3kiy h ARG 77 Ca 0.30 0.07 0.46 0.00 0.07 0.00 0.00 59.98 60.88 3kiy h ARG 77 Cb -0.00 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 30.19 3kiy h ARG 77 CO -0.05 -0.71 1.04 -0.22 -1.07 0.00 0.00 179.97 178.95 3kiy h LYS 78 N -1.11 0.05 0.38 0.04 3.64 -1.25 0.42 116.57 118.75 3kiy h LYS 78 Ca -0.11 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3kiy h LYS 78 Cb 0.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3kiy h LYS 78 CO 0.16 0.04 -0.18 1.25 -2.27 0.00 0.00 179.45 178.44 3kiy h LEU 79 N 0.06 -0.44 0.13 5.20 6.46 -0.26 -2.08 115.31 124.39 3kiy h LEU 79 Ca 0.81 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.61 3kiy h LEU 79 Cb 2.89 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 42.90 3kiy h LEU 79 CO -0.22 -0.15 -0.28 -0.26 -0.62 0.00 0.00 178.44 176.91 3kiy h PHE 80 N -0.83 -0.76 -0.31 1.25 0.04 0.13 0.37 116.94 116.83 3kiy h PHE 80 Ca -0.05 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 3kiy h PHE 80 Cb 0.40 0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.81 3kiy h PHE 80 CO 0.04 -0.39 0.12 -0.25 -0.60 0.00 0.00 178.31 177.23 3kiy n ASP 81 N -5.39 3.08 0.16 2.17 8.00 0.11 -4.07 116.55 120.61 3kiy n ASP 81 Ca -0.07 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.94 3kiy n ASP 81 Cb 0.30 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3kiy n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kiy n GLU 82 N 0.06 0.00 0.39 -1.24 1.02 -1.15 -4.94 120.64 114.79 3kiy n GLU 82 Ca 0.17 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.12 3kiy n GLU 82 Cb 0.78 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 32.11 3kiy n GLU 82 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kiy h ILE 83 N 0.00 0.07 0.06 -3.67 1.08 -0.54 -3.27 117.51 111.24 3kiy h ILE 83 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3kiy h ILE 83 Cb 0.00 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.77 3kiy h ILE 83 CO 0.00 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 176.95 3kiy h ALA 84 N -0.98 -0.92 -0.65 1.87 0.00 -0.45 -3.15 119.26 114.99 3kiy h ALA 84 Ca -0.09 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kiy h ALA 84 Cb 0.91 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 3kiy h ALA 84 CO 0.08 -1.09 -0.39 -2.30 0.00 0.00 0.00 179.25 175.55 3kiy n PRO 85 N -5.47 -0.29 0.00 0.00 -0.02 -1.24 -0.48 135.00 127.50 3kiy n PRO 85 Ca -0.08 1.13 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3kiy n PRO 85 Cb 0.40 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3kiy n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kiy n ARG 86 N -4.60 0.00 0.00 -0.52 1.74 -1.19 0.74 116.66 112.83 3kiy n ARG 86 Ca 0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3kiy n ARG 86 Cb 0.17 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3kiy n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kiy n TYR 87 N -1.12 0.00 -0.35 -1.55 4.01 0.37 -4.75 117.16 113.76 3kiy n TYR 87 Ca 0.00 0.00 0.27 0.00 -0.16 0.00 0.00 57.90 58.01 3kiy n TYR 87 Cb 0.20 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 39.75 3kiy n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kiy h ARG 88 N 0.00 0.26 0.00 -0.72 1.12 0.53 0.43 114.38 116.00 3kiy h ARG 88 Ca 0.00 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.81 3kiy h ARG 88 Cb 0.02 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 3kiy h ARG 88 CO 0.00 0.17 -1.04 -0.44 -3.11 0.00 0.00 179.97 175.56 3kiy h ASP 89 N 0.27 0.00 -3.65 -3.80 3.32 -1.86 -3.46 116.42 107.24 3kiy h ASP 89 Ca 0.74 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 57.29 3kiy h ASP 89 Cb 1.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.39 3kiy h ASP 89 CO -0.54 0.15 0.34 -0.60 -1.72 0.00 0.00 179.24 176.87 3kiy s ARG 90 N -3.25 4.77 -0.50 3.56 3.52 0.15 -5.02 118.95 122.18 3kiy s ARG 90 Ca -0.01 1.45 -0.05 0.00 -0.13 0.00 0.00 55.73 56.99 3kiy s ARG 90 Cb 0.09 -3.33 0.13 0.00 -1.56 0.00 0.00 34.95 30.28 3kiy s ARG 90 CO 0.79 0.37 0.33 -1.14 -0.81 0.00 0.00 175.30 174.84 3kiy s GLN 91 N -0.60 2.36 0.27 5.12 0.74 -1.26 -4.94 119.66 121.35 3kiy s GLN 91 Ca 0.44 -2.01 0.00 0.00 0.05 0.00 0.00 55.36 53.83 3kiy s GLN 91 Cb -0.25 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.10 3kiy s GLN 91 CO 0.31 -1.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.31 3kiy n GLY 92 N 4.38 -3.66 0.50 2.59 0.00 -1.26 -5.01 105.19 102.73 3kiy n GLY 92 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3kiy n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 93 N -1.34 0.62 2.21 -0.02 0.00 -1.26 -5.00 105.19 100.40 3kiy n GLY 93 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 3kiy n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kiy n TYR 94 N -0.50 3.02 -3.70 1.61 0.53 -1.26 -4.92 117.16 111.94 3kiy n TYR 94 Ca 0.00 -1.96 -0.14 0.00 -1.02 0.00 0.00 57.90 54.79 3kiy n TYR 94 Cb 0.21 -0.99 -0.09 0.00 -1.03 0.00 0.00 39.34 37.44 3kiy n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3kiy s THR 95 N -3.39 0.01 0.22 -0.72 -1.32 -1.26 -4.16 115.64 105.01 3kiy s THR 95 Ca 0.56 -0.05 0.11 0.00 -1.21 0.00 0.00 61.69 61.10 3kiy s THR 95 Cb 0.47 -0.71 -0.05 0.00 -1.51 0.00 0.00 72.50 70.70 3kiy s THR 95 CO 0.09 -0.03 -0.20 -0.60 -2.21 0.00 0.00 174.62 171.67 3kiy s ARG 96 N -0.02 1.50 -0.07 7.08 3.52 0.75 -4.85 118.95 126.85 3kiy s ARG 96 Ca -0.02 -1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 53.95 3kiy s ARG 96 Cb -0.03 -1.62 0.04 0.00 -1.56 0.00 0.00 34.95 31.77 3kiy s ARG 96 CO 0.02 0.32 0.06 0.14 -0.81 0.00 0.00 175.30 175.02 3kiy s VAL 97 N -2.21 -0.01 -0.04 7.11 -7.23 -1.26 -1.30 120.40 115.46 3kiy s VAL 97 Ca 0.23 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 3kiy s VAL 97 Cb -0.06 -0.31 0.02 0.00 0.56 0.00 0.00 36.38 36.59 3kiy s VAL 97 CO 0.11 0.10 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.16 3kiy s LEU 98 N 2.12 1.51 -0.31 1.32 1.43 -0.78 -4.94 118.68 119.03 3kiy s LEU 98 Ca 0.04 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 3kiy s LEU 98 Cb -0.13 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.55 3kiy s LEU 98 CO -0.05 -0.01 0.72 -1.59 0.23 0.00 0.00 176.35 175.66 3kiy s LYS 99 N 0.68 3.91 0.44 1.70 0.00 -1.26 0.05 119.74 125.27 3kiy s LYS 99 Ca -0.10 0.44 -0.15 0.00 0.00 0.00 0.00 55.97 56.16 3kiy s LYS 99 Cb -0.13 -3.74 -0.08 0.00 0.00 0.00 0.00 37.83 33.88 3kiy s LYS 99 CO 0.01 -0.65 0.88 -0.48 0.00 0.00 0.00 175.35 175.11 3kiy s LEU 100 N 2.83 3.79 0.57 2.77 -0.00 -0.70 -4.93 118.68 123.01 3kiy s LEU 100 Ca 0.29 1.41 -0.16 0.00 -0.00 0.00 0.00 54.13 55.67 3kiy s LEU 100 Cb -0.14 -4.30 -0.05 0.00 -0.00 0.00 0.00 46.19 41.70 3kiy s LEU 100 CO 0.13 -0.45 1.04 0.00 -0.00 0.00 0.00 176.35 177.07 3kiy s ALA 101 N -2.40 2.83 0.00 1.48 0.00 -1.26 -4.48 121.76 117.93 3kiy s ALA 101 Ca 0.56 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3kiy s ALA 101 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3kiy s ALA 101 CO 0.27 -0.64 0.00 0.39 0.00 0.00 0.00 175.76 175.78 3kiy n GLU 102 N -1.86 0.00 -3.23 0.00 1.02 -1.26 -5.00 120.64 110.31 3kiy n GLU 102 Ca 0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 3kiy n GLU 102 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.99 3kiy n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kiy s ARG 103 N -4.80 2.35 -0.14 3.49 0.52 -1.26 -4.27 118.95 114.85 3kiy s ARG 103 Ca 0.00 -1.68 -0.23 0.00 -0.52 0.00 0.00 55.73 53.30 3kiy s ARG 103 Cb 0.00 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 3kiy s ARG 103 CO 0.00 -0.73 0.72 1.03 0.02 0.00 0.00 175.30 176.34 3kiy s ARG 104 N -4.54 4.33 -1.25 3.54 0.52 -1.10 -4.91 118.95 115.54 3kiy s ARG 104 Ca 0.55 0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 56.41 3kiy s ARG 104 Cb -0.05 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 3kiy s ARG 104 CO 0.34 -0.15 1.83 0.54 0.02 0.00 0.00 175.30 177.89 3kiy n ARG 105 N 4.60 2.49 0.00 3.54 1.74 -1.26 -1.56 116.66 126.21 3kiy n ARG 105 Ca 0.01 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 3kiy n ARG 105 Cb 0.50 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 3kiy n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 106 N 5.53 0.00 0.00 -0.13 0.00 -1.26 -4.95 105.19 104.38 3kiy n GLY 106 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3kiy n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kiy n ASP 107 N -0.03 0.00 -3.48 1.61 3.85 -1.14 -5.04 116.55 112.31 3kiy n ASP 107 Ca 0.00 -0.55 -0.18 0.00 -0.71 0.00 0.00 54.79 53.35 3kiy n ASP 107 Cb 0.00 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 39.85 3kiy n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kiy n GLY 108 N 0.00 -0.36 3.81 6.12 0.00 -0.60 -5.00 105.19 109.17 3kiy n GLY 108 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3kiy n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 109 N -3.40 3.79 0.36 4.61 0.00 -1.26 -4.86 121.76 121.00 3kiy s ALA 109 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 51.96 51.06 3kiy s ALA 109 Cb -0.01 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 3kiy s ALA 109 CO 0.74 0.43 1.20 -1.25 0.00 0.00 0.00 175.76 176.89 3kiy s PRO 110 N -0.46 4.22 0.11 0.00 0.04 -1.26 -2.71 135.00 134.93 3kiy s PRO 110 Ca 0.12 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.19 3kiy s PRO 110 Cb -0.12 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 3kiy s PRO 110 CO 0.02 -0.21 -0.20 -0.51 0.04 0.00 0.00 177.00 176.14 3kiy s LEU 111 N -2.14 2.31 0.00 -3.56 1.43 -1.26 -3.20 118.68 112.26 3kiy s LEU 111 Ca 0.53 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3kiy s LEU 111 Cb -0.34 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 3kiy s LEU 111 CO 0.43 0.04 0.19 0.00 0.23 0.00 0.00 176.35 177.24 3kiy n ALA 112 N 1.01 0.07 -3.01 4.21 0.00 -0.80 -1.71 120.51 120.28 3kiy n ALA 112 Ca -0.19 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 52.32 3kiy n ALA 112 Cb 0.54 0.68 -0.11 0.00 0.00 0.00 0.00 19.45 20.56 3kiy n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kiy s LEU 113 N 0.00 2.02 -0.27 0.00 2.34 0.11 -2.91 118.68 119.97 3kiy s LEU 113 Ca 0.16 -0.42 -0.02 0.00 0.06 0.00 0.00 54.13 53.92 3kiy s LEU 113 Cb 0.00 0.29 0.03 0.00 -0.56 0.00 0.00 46.19 45.96 3kiy s LEU 113 CO 0.11 -0.33 -0.04 -0.69 -1.06 0.00 0.00 176.35 174.34 3kiy s VAL 114 N -1.49 2.90 0.15 1.48 1.01 0.10 -1.87 120.40 122.69 3kiy s VAL 114 Ca -0.15 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.71 3kiy s VAL 114 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3kiy s VAL 114 CO -0.00 0.10 0.27 -0.70 0.00 0.00 0.00 175.10 174.76 3kiy s GLU 115 N 1.30 3.39 -0.01 2.72 2.12 -0.42 -1.66 118.70 126.14 3kiy s GLU 115 Ca -0.02 -0.63 0.08 0.00 0.36 0.00 0.00 54.97 54.76 3kiy s GLU 115 Cb -0.18 -2.93 0.25 0.00 0.26 0.00 0.00 34.13 31.53 3kiy s GLU 115 CO -0.03 0.52 1.16 1.28 -0.54 0.00 0.00 175.26 177.64 3kiy n LEU 116 N -0.55 1.64 -1.22 2.70 4.77 -0.70 -0.18 117.00 123.46 3kiy n LEU 116 Ca -0.07 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3kiy n LEU 116 Cb 0.54 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3kiy n LEU 116 CO 0.48 0.36 -0.36 0.52 -1.33 0.00 0.00 177.39 177.06 3kiy n VAL 117 N 0.28 -3.29 0.00 4.08 0.31 -1.26 -4.45 118.33 114.00 3kiy n VAL 117 Ca 0.09 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.91 3kiy n VAL 117 Cb 0.28 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 3kiy n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72