#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyp h MET 30 N 0.00 0.18 0.68 -4.13 2.07 -2.05 0.17 114.93 111.84 3kyp h MET 30 Ca 0.00 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.59 3kyp h MET 30 Cb 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 31.60 29.70 3kyp h MET 30 CO 0.00 0.12 -0.32 0.37 1.07 0.00 0.00 176.91 178.14 3kyp h GLN 31 N 0.18 -0.87 -1.04 1.72 5.75 -2.06 -1.91 115.11 116.87 3kyp h GLN 31 Ca 0.53 0.06 0.30 0.00 -0.15 0.00 0.00 58.65 59.38 3kyp h GLN 31 Cb 1.74 0.20 -0.13 0.00 1.07 0.00 0.00 27.48 30.36 3kyp h GLN 31 CO -0.12 -0.58 0.63 -0.44 -2.65 0.00 0.00 178.83 175.67 3kyp h ASP 32 N -1.24 0.53 0.05 -0.69 3.45 -1.29 -0.86 116.42 116.37 3kyp h ASP 32 Ca -0.09 0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 3kyp h ASP 32 Cb 0.70 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3kyp h ASP 32 CO 0.15 -0.01 -0.02 0.15 -1.57 0.00 0.00 179.24 177.94 3kyp h PHE 33 N 0.40 -0.06 0.00 4.55 3.04 -0.70 -2.96 116.94 121.22 3kyp h PHE 33 Ca 0.68 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.63 3kyp h PHE 33 Cb 1.58 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 40.11 3kyp h PHE 33 CO -0.01 0.28 -0.03 0.93 -2.02 0.00 0.00 178.31 177.47 3kyp h GLU 34 N -0.41 0.00 0.00 1.11 5.08 -0.35 0.19 114.58 120.19 3kyp h GLU 34 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3kyp h GLU 34 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kyp h GLU 34 CO 0.01 0.03 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.18 3kyp h ASP 35 N 0.00 0.00 0.21 1.42 3.32 -1.21 -2.64 116.42 117.53 3kyp h ASP 35 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kyp h ASP 35 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kyp h ASP 35 CO 0.00 0.42 -0.10 0.40 -1.72 0.00 0.00 179.24 178.25 3kyp h ILE 36 N 0.00 0.00 -1.30 0.35 1.08 -0.50 -3.14 117.51 113.99 3kyp h ILE 36 Ca -0.00 -0.62 0.38 0.00 -0.39 0.00 0.00 64.86 64.22 3kyp h ILE 36 Cb 1.03 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 3kyp h ILE 36 CO 0.06 0.00 0.92 1.56 -0.69 0.00 0.00 178.15 179.99 3kyp h GLN 37 N -0.90 0.07 0.00 2.37 1.08 -1.45 0.24 115.11 116.52 3kyp h GLN 37 Ca -0.03 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kyp h GLN 37 Cb 0.22 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3kyp h GLN 37 CO 0.05 0.04 -0.00 -0.22 -0.95 0.00 0.00 178.83 177.75 3kyp h LYS 38 N 0.07 -0.00 -0.29 1.46 3.11 -1.55 -0.87 116.57 118.49 3kyp h LYS 38 Ca 0.65 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 58.33 3kyp h LYS 38 Cb 2.42 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 33.65 3kyp h LYS 38 CO -0.09 0.32 -0.48 -0.44 -2.81 0.00 0.00 179.45 175.94 3kyp h ASP 39 N -0.32 0.86 -0.04 4.20 3.32 -0.59 -1.46 116.42 122.39 3kyp h ASP 39 Ca -0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 3kyp h ASP 39 Cb 0.32 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3kyp h ASP 39 CO 0.00 1.20 0.02 0.40 -1.72 0.00 0.00 179.24 179.14 3kyp h ILE 40 N 0.62 1.13 0.00 0.35 2.04 -0.99 -2.47 117.51 118.20 3kyp h ILE 40 Ca 0.03 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kyp h ILE 40 Cb 1.06 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3kyp h ILE 40 CO 0.11 0.11 -0.05 -0.33 0.00 0.00 0.00 178.15 177.98 3kyp h GLU 41 N -0.08 0.00 0.74 2.37 5.08 -1.11 0.19 114.58 121.77 3kyp h GLU 41 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3kyp h GLU 41 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kyp h GLU 41 CO -0.00 0.05 -0.35 0.37 -1.00 0.00 0.00 179.01 178.07 3kyp h GLN 42 N 0.00 -0.96 0.00 2.33 5.75 -0.80 0.25 115.11 121.68 3kyp h GLN 42 Ca -0.00 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3kyp h GLN 42 Cb 0.12 0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3kyp h GLN 42 CO 0.01 -0.62 0.00 1.47 -2.65 0.00 0.00 178.83 177.03 3kyp n LEU 43 N -5.44 0.00 0.12 -2.39 -0.00 -1.08 -2.09 117.00 106.13 3kyp n LEU 43 Ca -0.13 0.43 0.12 0.00 -0.00 0.00 0.00 56.01 56.43 3kyp n LEU 43 Cb 0.40 -0.43 0.07 0.00 -0.00 0.00 0.00 43.42 43.46 3kyp n LEU 43 CO 0.32 -0.06 0.25 -0.78 -0.00 0.00 0.00 177.39 177.12 3kyp h ASP 44 N 0.00 0.00 0.04 1.45 3.58 -0.36 -2.90 116.42 118.23 3kyp h ASP 44 Ca 0.00 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 3kyp h ASP 44 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 3kyp h ASP 44 CO 0.00 0.02 -0.73 0.40 -2.88 0.00 0.00 179.24 176.05 3kyp h ILE 45 N 0.00 1.37 -0.71 2.25 2.04 0.07 -3.26 117.51 119.26 3kyp h ILE 45 Ca 0.00 -2.34 0.07 0.00 1.00 0.00 0.00 64.86 63.60 3kyp h ILE 45 Cb 0.96 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.91 3kyp h ILE 45 CO 0.00 0.56 0.47 0.11 0.00 0.00 0.00 178.15 179.29 3kyp h LYS 46 N -0.78 0.68 0.00 2.37 1.79 -1.57 -2.10 116.57 116.95 3kyp h LYS 46 Ca -0.17 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3kyp h LYS 46 Cb 1.32 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3kyp h LYS 46 CO -0.03 0.45 -0.00 0.00 -1.08 0.00 0.00 179.45 178.79 3kyp h ALA 48 N 0.94 1.50 0.00 0.00 0.00 -1.44 -2.31 119.26 117.94 3kyp h ALA 48 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kyp h ALA 48 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kyp h ALA 48 CO 0.00 0.45 -0.08 1.25 0.00 0.00 0.00 179.25 180.86 3kyp h HIS 49 N 0.99 0.00 0.07 0.00 6.17 -1.08 0.01 115.15 121.30 3kyp h HIS 49 Ca 0.29 0.00 -0.30 0.00 0.71 0.00 0.00 60.37 61.07 3kyp h HIS 49 Cb -0.04 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 3kyp h HIS 49 CO -0.00 0.08 -1.65 0.93 0.71 0.00 0.00 177.93 178.00 3kyp h GLU 50 N 0.00 0.14 0.00 5.26 5.08 -0.89 -3.10 114.58 121.07 3kyp h GLU 50 Ca -0.00 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3kyp h GLU 50 Cb 0.58 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3kyp h GLU 50 CO 0.01 0.89 -0.24 1.96 -1.00 0.00 0.00 179.01 180.63 3kyp h GLN 51 N 0.04 0.00 0.09 2.33 4.20 -1.25 -2.87 115.11 117.65 3kyp h GLN 51 Ca -0.28 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3kyp h GLN 51 Cb 2.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.78 3kyp h GLN 51 CO 0.11 0.24 -0.04 1.98 -0.67 0.00 0.00 178.83 180.46 3kyp h MET 52 N 0.00 -0.11 -0.80 1.46 4.05 -1.05 -0.24 114.93 118.24 3kyp h MET 52 Ca -0.00 0.01 0.21 0.00 -0.28 0.00 0.00 59.70 59.63 3kyp h MET 52 Cb 0.90 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.69 3kyp h MET 52 CO 0.03 0.37 0.55 -0.91 0.23 0.00 0.00 176.91 177.19 3kyp h ASN 53 N -0.66 0.17 0.02 1.39 -0.26 -1.45 0.53 115.58 115.31 3kyp h ASN 53 Ca -0.01 0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.62 3kyp h ASN 53 Cb 0.53 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.79 3kyp h ASN 53 CO 0.02 0.07 -0.50 0.40 -1.06 0.00 0.00 177.43 176.36 3kyp h ILE 54 N 0.17 1.48 -1.00 2.81 2.04 -1.37 -1.81 117.51 119.84 3kyp h ILE 54 Ca 0.39 -2.10 0.14 0.00 1.00 0.00 0.00 64.86 64.30 3kyp h ILE 54 Cb 1.28 2.74 -0.09 0.00 -0.74 0.00 0.00 36.82 40.01 3kyp h ILE 54 CO -0.07 0.60 0.62 -0.61 0.00 0.00 0.00 178.15 178.68 3kyp h GLN 55 N -0.28 0.88 -0.15 2.37 5.75 0.67 0.18 115.11 124.53 3kyp h GLN 55 Ca -0.07 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3kyp h GLN 55 Cb 1.25 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 3kyp h GLN 55 CO 0.10 0.58 -0.07 0.87 -2.65 0.00 0.00 178.83 177.66 3kyp h LYS 56 N 0.91 0.32 -0.15 1.69 1.57 -0.99 0.28 116.57 120.19 3kyp h LYS 56 Ca 0.52 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 59.21 3kyp h LYS 56 Cb 0.62 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3kyp h LYS 56 CO -0.31 0.63 -0.38 0.37 -0.57 0.00 0.00 179.45 179.20 3kyp h GLN 57 N -0.01 -0.43 0.00 3.15 4.15 -0.28 -2.45 115.11 119.24 3kyp h GLN 57 Ca 0.04 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 3kyp h GLN 57 Cb 0.53 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3kyp h GLN 57 CO 0.02 -0.28 -0.22 1.88 -1.93 0.00 0.00 178.83 178.29 3kyp h TYR 58 N -0.44 0.00 0.00 3.99 0.05 -0.65 -2.93 116.97 116.98 3kyp h TYR 58 Ca 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3kyp h TYR 58 Cb 0.59 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 3kyp h TYR 58 CO -0.46 0.22 -0.17 -0.44 -1.05 0.00 0.00 178.16 176.26 3kyp h ASP 59 N 0.00 0.00 0.02 3.88 3.32 0.02 -2.86 116.42 120.80 3kyp h ASP 59 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3kyp h ASP 59 Cb 0.90 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 3kyp h ASP 59 CO 0.03 0.17 -0.33 -0.08 -1.72 0.00 0.00 179.24 177.32 3kyp h GLU 60 N 0.00 0.05 0.00 3.56 4.81 -1.37 -3.05 114.58 118.58 3kyp h GLU 60 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3kyp h GLU 60 Cb 0.41 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kyp h GLU 60 CO 0.02 1.04 0.00 1.63 -0.73 0.00 0.00 179.01 180.97 3kyp n LYS 61 N -4.49 0.04 -0.04 1.92 5.02 -1.10 -0.75 118.16 118.75 3kyp n LYS 61 Ca -0.14 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.10 3kyp n LYS 61 Cb 0.57 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.35 3kyp n LYS 61 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kyp n LYS 62 N -0.68 1.32 -0.29 1.97 5.02 -1.13 -4.67 118.16 119.70 3kyp n LYS 62 Ca 0.00 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 3kyp n LYS 62 Cb 0.00 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3kyp n LYS 62 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kyp n LYS 63 N -2.56 -0.21 -0.17 1.97 4.81 0.07 0.40 118.16 122.47 3kyp n LYS 63 Ca -0.14 1.13 -0.09 0.00 -0.87 0.00 0.00 58.31 58.34 3kyp n LYS 63 Cb 0.70 -1.67 0.05 0.00 0.02 0.00 0.00 35.03 34.12 3kyp n LYS 63 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kyp h PRO 64 N 0.00 0.99 -0.87 1.64 0.13 -1.86 -2.67 132.00 129.36 3kyp h PRO 64 Ca 0.23 -0.34 0.15 0.00 -0.87 0.00 0.00 66.00 65.16 3kyp h PRO 64 Cb 0.41 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.40 3kyp h PRO 64 CO -0.72 1.02 0.56 -0.07 -0.23 0.00 0.00 178.00 178.56 3kyp h LEU 65 N 0.88 0.59 -4.65 1.56 3.38 -0.33 -2.53 115.31 114.21 3kyp h LEU 65 Ca 0.14 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3kyp h LEU 65 Cb 0.63 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3kyp h LEU 65 CO 0.04 0.29 0.28 0.49 0.09 0.00 0.00 178.44 179.63 3kyp n PHE 66 N -4.54 0.07 -1.70 1.13 3.72 -0.29 -3.62 117.46 112.22 3kyp n PHE 66 Ca 0.17 -0.70 -0.16 0.00 -0.05 0.00 0.00 57.45 56.71 3kyp n PHE 66 Cb 0.50 -0.94 0.11 0.00 -0.94 0.00 0.00 39.48 38.21 3kyp n PHE 66 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kyp n GLU 67 N 2.91 2.70 0.15 -1.08 4.71 -0.95 -4.34 120.64 124.73 3kyp n GLU 67 Ca 0.19 -3.65 0.01 0.00 -0.01 0.00 0.00 57.16 53.70 3kyp n GLU 67 Cb 0.36 -2.06 0.21 0.00 -1.01 0.00 0.00 31.44 28.94 3kyp n GLU 67 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3kyp h LYS 68 N 1.66 0.00 -0.55 3.49 1.57 -1.88 -2.57 116.57 118.29 3kyp h LYS 68 Ca 0.32 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.26 3kyp h LYS 68 Cb 1.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 3kyp h LYS 68 CO 0.68 0.55 0.50 0.00 -0.57 0.00 0.00 179.45 180.62 3kyp h ARG 69 N 0.00 0.00 0.26 3.15 3.08 -1.91 0.12 114.38 119.08 3kyp h ARG 69 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3kyp h ARG 69 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3kyp h ARG 69 CO 0.07 0.00 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.41 3kyp h ASP 70 N 0.00 -0.30 0.17 7.04 5.19 -1.80 0.85 116.42 127.58 3kyp h ASP 70 Ca 0.26 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3kyp h ASP 70 Cb 1.26 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3kyp h ASP 70 CO -0.00 0.02 0.00 -1.84 -3.12 0.00 0.00 179.24 174.30 3kyp n GLU 71 N -5.12 0.51 -0.05 3.56 0.00 0.27 -3.48 120.64 116.33 3kyp n GLU 71 Ca -0.09 0.04 -0.06 0.00 0.00 0.00 0.00 57.16 57.05 3kyp n GLU 71 Cb 0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.16 3kyp n GLU 71 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3kyp n ILE 72 N -1.12 1.06 -0.30 3.84 5.41 -0.26 -3.28 119.36 124.70 3kyp n ILE 72 Ca 0.14 0.25 0.25 0.00 1.00 0.00 0.00 62.75 64.38 3kyp n ILE 72 Cb 0.11 -2.04 0.40 0.00 -0.71 0.00 0.00 39.64 37.41 3kyp n ILE 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kyp n ILE 73 N -3.84 -0.11 -3.98 1.39 3.06 0.29 -3.82 119.36 112.36 3kyp n ILE 73 Ca -0.09 0.97 -0.10 0.00 -2.50 0.00 0.00 62.75 61.03 3kyp n ILE 73 Cb 0.34 -1.59 -0.03 0.00 0.54 0.00 0.00 39.64 38.89 3kyp n ILE 73 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 3kyp n GLN 74 N -3.61 0.34 0.00 9.51 -0.06 -1.23 -4.93 117.38 117.40 3kyp n GLN 74 Ca 0.23 -1.76 0.00 0.00 -2.00 0.00 0.00 57.00 53.47 3kyp n GLN 74 Cb 0.95 1.58 0.00 0.00 -4.06 0.00 0.00 30.24 28.71 3kyp n GLN 74 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3kyp n LYS 75 N -0.35 0.00 -3.85 3.69 5.02 -1.26 -4.53 118.16 116.88 3kyp n LYS 75 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 3kyp n LYS 75 Cb 0.35 -0.01 -0.12 0.00 -0.02 0.00 0.00 35.03 35.22 3kyp n LYS 75 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kyp s ILE 76 N 0.00 3.04 -0.20 -0.18 1.01 -1.21 -5.04 121.20 118.63 3kyp s ILE 76 Ca 0.00 -2.48 -0.39 0.00 0.00 0.00 0.00 60.65 57.77 3kyp s ILE 76 Cb 0.00 -3.10 -0.16 0.00 0.01 0.00 0.00 42.46 39.22 3kyp s ILE 76 CO 0.00 -0.72 1.68 -2.65 0.00 0.00 0.00 174.94 173.24 3kyp n PRO 77 N 4.08 1.19 -4.04 2.79 -0.02 -1.26 -2.24 135.00 135.50 3kyp n PRO 77 Ca 0.02 0.44 -0.28 0.00 -2.02 0.00 0.00 63.50 61.66 3kyp n PRO 77 Cb 0.39 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3kyp n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyp n GLY 78 N 3.90 -0.27 0.33 -1.23 0.00 -1.26 -4.91 105.19 101.75 3kyp n GLY 78 Ca 0.25 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 3kyp n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kyp h PHE 79 N -1.77 -0.74 -0.35 1.61 3.57 -1.78 -2.96 116.94 114.52 3kyp h PHE 79 Ca -0.62 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 60.81 3kyp h PHE 79 Cb 1.38 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.35 3kyp h PHE 79 CO 0.52 -0.45 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.65 3kyp h TRP 80 N -0.75 0.59 -0.78 0.41 4.06 -1.88 -2.44 115.95 115.16 3kyp h TRP 80 Ca -0.07 -0.07 0.06 0.00 2.06 0.00 0.00 58.89 60.87 3kyp h TRP 80 Cb 0.59 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.53 3kyp h TRP 80 CO -0.06 0.58 0.47 0.00 -3.56 0.00 0.00 178.44 175.87 3kyp h ALA 81 N 1.45 1.06 -0.22 1.49 0.00 -1.82 -1.38 119.26 119.83 3kyp h ALA 81 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kyp h ALA 81 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kyp h ALA 81 CO 0.01 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3kyp n ASN 82 N -4.68 1.67 -0.09 0.00 3.02 -1.05 -3.34 115.26 110.79 3kyp n ASN 82 Ca 0.10 -1.79 -0.14 0.00 -0.03 0.00 0.00 54.58 52.72 3kyp n ASN 82 Cb 0.17 -0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 3kyp n ASN 82 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3kyp n THR 83 N 0.35 1.01 -0.16 3.41 -1.04 -0.76 -4.46 114.28 112.63 3kyp n THR 83 Ca 0.15 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.05 61.69 3kyp n THR 83 Cb 0.31 -1.29 -0.00 0.00 -1.82 0.00 0.00 70.33 67.53 3kyp n THR 83 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kyp h LEU 84 N -0.17 0.90 0.00 -4.42 4.07 -1.42 -2.89 115.31 111.38 3kyp h LEU 84 Ca -0.41 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3kyp h LEU 84 Cb 1.56 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3kyp h LEU 84 CO -0.12 1.05 0.00 0.54 -1.08 0.00 0.00 178.44 178.83 3kyp n ARG 85 N -4.25 0.04 0.01 1.13 1.74 -1.21 -2.54 116.66 111.58 3kyp n ARG 85 Ca 0.00 0.26 0.11 0.00 -0.77 0.00 0.00 57.85 57.45 3kyp n ARG 85 Cb 0.38 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3kyp n ARG 85 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kyp n LYS 86 N -1.45 0.24 -1.67 5.56 5.02 -1.09 -3.95 118.16 120.82 3kyp n LYS 86 Ca 0.04 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3kyp n LYS 86 Cb 0.14 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3kyp n LYS 86 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3kyp s HIS 87 N -3.17 1.31 0.00 2.13 2.46 -1.05 -4.41 115.29 112.56 3kyp s HIS 87 Ca 0.04 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.11 3kyp s HIS 87 Cb 0.15 -4.25 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 3kyp s HIS 87 CO 0.83 -5.58 0.00 -2.30 -2.47 0.00 0.00 174.74 165.22 3kyp n PRO 88 N 7.45 0.00 0.00 2.88 -0.02 -1.26 -1.62 135.00 142.42 3kyp n PRO 88 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3kyp n PRO 88 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3kyp n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kyp n ALA 89 N 0.00 0.00 -0.12 3.55 0.00 -1.26 -4.61 120.51 118.07 3kyp n ALA 89 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 3kyp n ALA 89 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 3kyp n ALA 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kyp h LEU 90 N 0.00 0.00 -0.33 0.00 4.07 -1.68 0.11 115.31 117.49 3kyp h LEU 90 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kyp h LEU 90 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3kyp h LEU 90 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 3kyp n SER 91 N -3.93 0.33 0.14 -0.43 7.64 -1.21 -4.75 113.62 111.41 3kyp n SER 91 Ca 0.17 -0.67 0.01 0.00 1.01 0.00 0.00 58.87 59.39 3kyp n SER 91 Cb 0.97 0.33 0.11 0.00 -1.01 0.00 0.00 64.21 64.61 3kyp n SER 91 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3kyp h ASP 92 N 0.00 0.00 -0.07 6.43 3.58 -0.90 -3.26 116.42 122.20 3kyp h ASP 92 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3kyp h ASP 92 Cb 0.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3kyp h ASP 92 CO 0.00 0.57 0.03 0.00 -2.88 0.00 0.00 179.24 176.96 3kyp n ILE 93 N -3.41 0.76 -2.65 2.25 0.13 -0.78 -4.90 119.36 110.77 3kyp n ILE 93 Ca 0.01 -0.15 -0.30 0.00 -1.10 0.00 0.00 62.75 61.20 3kyp n ILE 93 Cb 0.69 -0.74 -0.02 0.00 -0.84 0.00 0.00 39.64 38.73 3kyp n ILE 93 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 3kyp s VAL 94 N -0.69 4.74 0.28 9.51 -7.23 -1.23 -5.03 120.40 120.75 3kyp s VAL 94 Ca 0.05 0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 60.65 3kyp s VAL 94 Cb 0.04 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.12 3kyp s VAL 94 CO 0.01 -0.65 1.32 -2.84 -0.31 0.00 0.00 175.10 172.63 3kyp s PRO 95 N -4.11 4.37 0.49 4.82 0.02 -1.26 -4.87 135.00 134.45 3kyp s PRO 95 Ca 0.53 2.16 0.24 0.00 0.02 0.00 0.00 61.00 63.95 3kyp s PRO 95 Cb -0.10 -3.12 1.29 0.00 0.02 0.00 0.00 34.50 32.59 3kyp s PRO 95 CO 0.35 -0.21 1.91 0.93 -0.33 0.00 0.00 177.00 179.65 3kyp h GLU 96 N 4.19 0.17 -0.96 5.54 3.07 -1.97 0.30 114.58 124.92 3kyp h GLU 96 Ca -0.47 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.51 3kyp h GLU 96 Cb 1.22 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 29.00 3kyp h GLU 96 CO 0.71 0.11 0.58 -0.44 -1.40 0.00 0.00 179.01 178.57 3kyp h ASP 97 N 0.17 0.81 -0.99 1.42 3.32 -1.95 0.42 116.42 119.62 3kyp h ASP 97 Ca 0.38 0.07 0.25 0.00 0.02 0.00 0.00 57.03 57.74 3kyp h ASP 97 Cb 1.24 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 3kyp h ASP 97 CO -0.07 0.39 0.65 0.40 -1.72 0.00 0.00 179.24 178.90 3kyp h ILE 98 N 0.87 0.58 -0.08 0.35 1.08 -0.73 -1.77 117.51 117.80 3kyp h ILE 98 Ca 0.50 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.84 3kyp h ILE 98 Cb 0.59 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3kyp h ILE 98 CO -0.30 0.07 0.04 0.44 -0.69 0.00 0.00 178.15 177.70 3kyp h ASP 99 N 0.36 0.11 -0.87 1.72 5.19 -0.24 -2.01 116.42 120.68 3kyp h ASP 99 Ca 0.54 -0.12 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 3kyp h ASP 99 Cb 1.43 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.86 3kyp h ASP 99 CO -0.21 0.20 0.56 0.40 -3.12 0.00 0.00 179.24 177.07 3kyp h ILE 100 N 0.01 0.97 0.00 0.35 2.04 -1.32 0.45 117.51 120.01 3kyp h ILE 100 Ca 0.03 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3kyp h ILE 100 Cb 0.12 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3kyp h ILE 100 CO -0.00 0.16 -0.41 -0.07 0.00 0.00 0.00 178.15 177.82 3kyp h LEU 101 N 0.85 0.00 -7.96 1.44 3.38 -1.45 -3.37 115.31 108.21 3kyp h LEU 101 Ca 0.40 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.02 3kyp h LEU 101 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3kyp h LEU 101 CO -0.17 0.41 1.13 0.59 0.09 0.00 0.00 178.44 180.50 3kyp n ASN 102 N -3.78 3.16 -1.35 -0.43 5.03 0.16 -4.30 115.26 113.75 3kyp n ASN 102 Ca -0.01 -2.71 -0.09 0.00 0.87 0.00 0.00 54.58 52.64 3kyp n ASN 102 Cb 0.48 -1.74 0.11 0.00 -1.02 0.00 0.00 39.78 37.61 3kyp n ASN 102 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kyp n HIS 103 N 14.15 1.37 -2.16 3.10 8.25 -1.26 -4.69 115.22 133.98 3kyp n HIS 103 Ca 0.45 -1.85 -0.42 0.00 -0.26 0.00 0.00 57.72 55.65 3kyp n HIS 103 Cb 0.46 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 3kyp n HIS 103 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kyp s LEU 104 N -3.38 4.39 -0.22 2.41 1.02 -1.26 -2.72 118.68 118.92 3kyp s LEU 104 Ca 0.44 2.43 0.03 0.00 0.02 0.00 0.00 54.13 57.05 3kyp s LEU 104 Cb 0.39 -3.60 -0.20 0.00 0.02 0.00 0.00 46.19 42.80 3kyp s LEU 104 CO -0.02 -0.61 -0.07 0.52 0.02 0.00 0.00 176.35 176.20 3kyp n VAL 105 N 3.07 1.53 -4.06 -1.59 0.31 -0.99 -4.74 118.33 111.86 3kyp n VAL 105 Ca 0.08 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 3kyp n VAL 105 Cb 0.42 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 31.88 3kyp n VAL 105 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kyp s LYS 106 N -2.53 0.50 -0.37 5.55 1.02 -1.23 -3.94 119.74 118.73 3kyp s LYS 106 Ca -0.29 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.01 3kyp s LYS 106 Cb 0.08 -0.27 0.15 0.00 -0.52 0.00 0.00 37.83 37.27 3kyp s LYS 106 CO 0.66 0.05 0.24 -1.17 -0.92 0.00 0.00 175.35 174.21 3kyp s LEU 107 N -1.46 1.22 0.61 3.17 0.20 -1.26 -4.25 118.68 116.92 3kyp s LEU 107 Ca -0.10 -2.41 -0.10 0.00 0.69 0.00 0.00 54.13 52.22 3kyp s LEU 107 Cb -0.09 -0.46 -0.02 0.00 -0.43 0.00 0.00 46.19 45.18 3kyp s LEU 107 CO 0.00 -0.28 0.99 -1.81 -0.29 0.00 0.00 176.35 174.97 3kyp s ASP 108 N 0.79 6.02 -0.36 3.68 1.01 -0.49 -4.92 116.67 122.40 3kyp s ASP 108 Ca 0.21 1.22 0.03 0.00 0.71 0.00 0.00 52.55 54.73 3kyp s ASP 108 Cb -0.18 -2.26 0.16 0.00 1.01 0.00 0.00 42.92 41.66 3kyp s ASP 108 CO -0.03 -0.94 0.40 -0.22 0.21 0.00 0.00 175.17 174.59 3kyp s LEU 109 N -5.13 -0.33 -0.80 1.23 2.96 -1.26 -2.59 118.68 112.76 3kyp s LEU 109 Ca 0.54 -1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 52.91 3kyp s LEU 109 Cb -0.11 0.79 0.04 0.00 0.50 0.00 0.00 46.19 47.41 3kyp s LEU 109 CO 0.51 -0.27 1.27 -0.54 -1.32 0.00 0.00 176.35 176.00 3kyp s LYS 110 N 1.67 3.28 0.11 1.98 -0.14 -0.46 -4.90 119.74 121.29 3kyp s LYS 110 Ca 0.15 -0.58 -0.02 0.00 -1.36 0.00 0.00 55.97 54.17 3kyp s LYS 110 Cb -0.14 -4.48 -0.05 0.00 -1.68 0.00 0.00 37.83 31.49 3kyp s LYS 110 CO -0.09 -2.10 0.29 0.34 -0.76 0.00 0.00 175.35 173.03 3kyp s ASP 111 N 4.00 6.41 0.00 2.83 -1.08 -1.26 -2.48 116.67 125.09 3kyp s ASP 111 Ca 0.36 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 3kyp s ASP 111 Cb -0.07 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 3kyp s ASP 111 CO 0.08 0.10 0.00 0.59 0.52 0.00 0.00 175.17 176.46 3kyp n ASN 112 N 0.06 -0.03 0.00 -0.34 3.02 -1.26 -4.82 115.26 111.89 3kyp n ASN 112 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3kyp n ASN 112 Cb 0.52 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3kyp n ASN 112 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3kyp n MET 113 N 1.82 0.00 -0.24 3.52 3.85 -1.26 -3.36 117.12 121.46 3kyp n MET 113 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 3kyp n MET 113 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.17 3kyp n MET 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3kyp n ASP 114 N 0.00 -0.17 -0.05 3.17 9.92 -1.26 -3.59 116.55 124.57 3kyp n ASP 114 Ca 0.00 -0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 53.97 3kyp n ASP 114 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 3kyp n ASP 114 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3kyp n ASN 116 N 0.93 1.19 0.00 -2.24 2.04 -1.26 -5.05 115.26 110.87 3kyp n ASN 116 Ca 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 54.58 54.30 3kyp n ASN 116 Cb 0.04 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 3kyp n ASN 116 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kyp n GLY 117 N 1.84 2.66 0.36 4.83 0.00 -1.24 -4.95 105.19 108.69 3kyp n GLY 117 Ca -0.30 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3kyp n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kyp h SER 118 N 0.00 -0.73 -5.52 1.61 0.87 -1.82 -3.41 113.55 104.55 3kyp h SER 118 Ca 0.00 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3kyp h SER 118 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3kyp h SER 118 CO 0.00 -0.38 -0.91 0.00 -0.53 0.00 0.00 176.83 175.01 3kyp n TYR 119 N -5.14 -3.06 -3.62 2.24 4.19 -1.15 -3.99 117.16 106.63 3kyp n TYR 119 Ca -0.11 1.32 -0.24 0.00 3.31 0.00 0.00 57.90 62.18 3kyp n TYR 119 Cb 0.34 -3.30 -0.17 0.00 0.49 0.00 0.00 39.34 36.70 3kyp n TYR 119 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 3kyp s LYS 120 N -1.80 0.03 -0.20 2.98 2.36 -1.04 -1.66 119.74 120.43 3kyp s LYS 120 Ca 0.09 0.04 -0.06 0.00 -2.55 0.00 0.00 55.97 53.48 3kyp s LYS 120 Cb -0.02 -1.50 -0.03 0.00 -1.05 0.00 0.00 37.83 35.23 3kyp s LYS 120 CO 0.64 -0.59 0.03 0.42 1.55 0.00 0.00 175.35 177.41 3kyp s ILE 121 N 2.15 4.31 0.06 5.43 1.01 -1.10 -1.35 121.20 131.71 3kyp s ILE 121 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.55 3kyp s ILE 121 Cb -0.15 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3kyp s ILE 121 CO -0.08 0.43 -0.16 0.42 0.00 0.00 0.00 174.94 175.56 3kyp s THR 122 N 0.82 2.98 -0.10 2.92 -4.23 -1.07 -2.29 115.64 114.66 3kyp s THR 122 Ca 0.02 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.21 3kyp s THR 122 Cb -0.14 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 3kyp s THR 122 CO 0.02 0.28 -0.24 0.49 -0.54 0.00 0.00 174.62 174.63 3kyp n PHE 123 N 1.33 0.00 -2.06 3.99 0.99 -0.21 -1.40 117.46 120.10 3kyp n PHE 123 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.28 3kyp n PHE 123 Cb 0.52 -0.37 -0.01 0.00 -1.00 0.00 0.00 39.48 38.62 3kyp n PHE 123 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3kyp n ILE 124 N -4.15 -9.87 -3.92 4.37 5.41 -0.98 -3.61 119.36 106.61 3kyp n ILE 124 Ca -0.12 2.08 -0.22 0.00 1.00 0.00 0.00 62.75 65.49 3kyp n ILE 124 Cb 0.39 -5.34 -0.05 0.00 -0.71 0.00 0.00 39.64 33.93 3kyp n ILE 124 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3kyp s PHE 125 N -0.43 2.77 -0.05 1.39 0.08 -0.08 -2.35 117.98 119.30 3kyp s PHE 125 Ca -0.09 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 3kyp s PHE 125 Cb 0.01 -1.80 -0.26 0.00 -0.57 0.00 0.00 43.02 40.39 3kyp s PHE 125 CO 0.23 0.20 0.63 0.78 -0.10 0.00 0.00 175.22 176.96 3kyp h GLY 126 N 1.35 0.23 -5.34 4.36 0.00 -1.87 -3.46 103.07 98.35 3kyp h GLY 126 Ca -0.44 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.16 3kyp h GLY 126 CO 0.61 0.52 -0.32 -1.83 0.00 0.00 0.00 176.54 175.53 3kyp s GLU 127 N -2.59 0.40 0.00 4.80 -1.05 -1.26 -5.13 118.70 113.86 3kyp s GLU 127 Ca -0.13 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 3kyp s GLU 127 Cb 0.07 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 3kyp s GLU 127 CO 0.82 -0.06 0.00 1.63 0.95 0.00 0.00 175.26 178.60 3kyp n LYS 128 N 3.03 0.00 0.00 -4.83 4.01 -1.26 -4.66 118.16 114.45 3kyp n LYS 128 Ca -0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 3kyp n LYS 128 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 3kyp n LYS 128 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kyp n ALA 129 N -3.00 0.00 0.00 7.82 0.00 -1.26 -3.67 120.51 120.40 3kyp n ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kyp n ALA 129 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kyp n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kyp n LYS 130 N -0.71 2.65 -3.77 0.00 4.01 -1.26 -4.80 118.16 114.28 3kyp n LYS 130 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 3kyp n LYS 130 Cb 0.00 -0.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.92 3kyp n LYS 130 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3kyp s GLU 131 N -0.56 0.50 -0.02 1.97 -1.05 -1.24 0.87 118.70 119.17 3kyp s GLU 131 Ca 0.00 0.13 0.20 0.00 -0.15 0.00 0.00 54.97 55.16 3kyp s GLU 131 Cb 0.00 0.23 -0.28 0.00 -0.44 0.00 0.00 34.13 33.64 3kyp s GLU 131 CO 0.00 -0.11 0.60 0.34 0.95 0.00 0.00 175.26 177.04 3kyp n PHE 132 N 2.14 0.00 -3.21 4.83 -0.00 -1.25 -4.03 117.46 115.94 3kyp n PHE 132 Ca -0.17 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 56.84 3kyp n PHE 132 Cb 0.57 -0.30 -0.07 0.00 -0.00 0.00 0.00 39.48 39.68 3kyp n PHE 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kyp s MET 133 N -3.24 3.12 0.07 -4.13 0.23 -1.26 -4.93 119.30 109.15 3kyp s MET 133 Ca -0.02 -0.86 -0.15 0.00 -1.03 0.00 0.00 55.69 53.63 3kyp s MET 133 Cb 0.14 -4.06 -0.20 0.00 -1.53 0.00 0.00 34.83 29.19 3kyp s MET 133 CO 0.85 -1.10 1.22 0.93 -2.03 0.00 0.00 175.02 174.90 3kyp h GLU 134 N 8.90 0.66 -6.38 3.16 4.39 -1.89 -3.43 114.58 119.99 3kyp h GLU 134 Ca -0.27 -0.60 -0.55 0.00 0.34 0.00 0.00 59.36 58.28 3kyp h GLU 134 Cb 1.10 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 3kyp h GLU 134 CO 0.91 1.21 -0.01 -2.14 -1.16 0.00 0.00 179.01 177.82 3kyp s PRO 135 N -3.53 4.12 -0.09 2.33 0.02 -1.26 -0.90 135.00 135.69 3kyp s PRO 135 Ca -0.11 0.67 0.01 0.00 0.02 0.00 0.00 61.00 61.58 3kyp s PRO 135 Cb 0.07 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.61 3kyp s PRO 135 CO 0.88 0.49 -0.09 -0.51 -0.33 0.00 0.00 177.00 177.44 3kyp s LEU 136 N -1.76 1.40 0.03 -5.54 1.02 -1.26 -4.76 118.68 107.81 3kyp s LEU 136 Ca 0.37 -0.29 0.06 0.00 0.02 0.00 0.00 54.13 54.29 3kyp s LEU 136 Cb -0.17 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 3kyp s LEU 136 CO 0.20 -0.05 -0.17 0.28 0.02 0.00 0.00 176.35 176.63 3kyp s THR 137 N 1.20 1.37 -0.15 5.49 -1.32 -1.26 -1.04 115.64 119.93 3kyp s THR 137 Ca -0.05 -1.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.40 3kyp s THR 137 Cb -0.14 -1.19 0.05 0.00 -1.51 0.00 0.00 72.50 69.71 3kyp s THR 137 CO -0.02 0.17 0.07 -0.22 -2.21 0.00 0.00 174.62 172.41 3kyp s LEU 138 N -0.96 0.51 -0.20 9.08 0.20 -0.97 -2.35 118.68 123.99 3kyp s LEU 138 Ca 0.05 -0.51 -0.10 0.00 0.69 0.00 0.00 54.13 54.26 3kyp s LEU 138 Cb -0.08 -0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.32 3kyp s LEU 138 CO 0.01 -0.31 0.15 -0.69 -0.29 0.00 0.00 176.35 175.21 3kyp s VAL 139 N 2.07 5.40 0.29 1.68 1.01 0.11 -2.72 120.40 128.23 3kyp s VAL 139 Ca 0.02 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.33 3kyp s VAL 139 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3kyp s VAL 139 CO -0.08 0.43 -0.11 -0.75 0.00 0.00 0.00 175.10 174.59 3kyp s LYS 140 N 0.42 1.91 0.31 2.72 2.20 -0.66 -1.95 119.74 124.68 3kyp s LYS 140 Ca 0.09 -1.70 -0.18 0.00 -0.36 0.00 0.00 55.97 53.82 3kyp s LYS 140 Cb -0.11 -1.88 0.03 0.00 -1.51 0.00 0.00 37.83 34.35 3kyp s LYS 140 CO -0.01 0.29 0.71 -3.38 -0.36 0.00 0.00 175.35 172.60 3kyp s HIS 141 N -2.47 -0.02 0.00 4.03 0.00 -1.10 -4.54 115.29 111.19 3kyp s HIS 141 Ca 0.31 -0.49 0.00 0.00 -3.00 0.00 0.00 55.06 51.88 3kyp s HIS 141 Cb -0.04 0.68 0.00 0.00 -4.00 0.00 0.00 32.58 29.22 3kyp s HIS 141 CO 0.17 -1.31 0.00 1.55 -1.00 0.00 0.00 174.74 174.15 3kyp n VAL 142 N -0.48 0.00 -3.77 -5.38 3.14 -1.26 -4.41 118.33 106.17 3kyp n VAL 142 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3kyp n VAL 142 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 3kyp n VAL 142 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3kyp n THR 143 N 0.00 0.00 0.00 1.55 5.66 -1.26 -4.40 114.28 115.83 3kyp n THR 143 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3kyp n THR 143 Cb 0.00 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 3kyp n THR 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kyp n GLN 148 N -0.02 0.00 -3.65 1.09 -0.00 -1.26 -5.08 117.38 108.46 3kyp n GLN 148 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.68 3kyp n GLN 148 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.19 3kyp n GLN 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3kyp s GLU 149 N 0.00 3.64 0.01 2.61 2.02 -1.26 -5.05 118.70 120.66 3kyp s GLU 149 Ca 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 3kyp s GLU 149 Cb 0.00 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 3kyp s GLU 149 CO 0.00 0.46 0.93 0.87 0.02 0.00 0.00 175.26 177.54 3kyp h LYS 150 N 2.86 -0.20 -4.48 1.61 1.57 -1.85 -3.44 116.57 112.64 3kyp h LYS 150 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3kyp h LYS 150 Cb 1.17 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3kyp h LYS 150 CO 0.72 -0.13 -0.42 0.28 -0.57 0.00 0.00 179.45 179.33 3kyp n VAL 151 N -2.63 -8.22 -1.17 0.50 0.31 -1.26 -3.79 118.33 102.07 3kyp n VAL 151 Ca -0.03 0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 64.98 3kyp n VAL 151 Cb 0.08 -6.13 0.06 0.00 -0.91 0.00 0.00 33.84 26.94 3kyp n VAL 151 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kyp n VAL 152 N -0.15 0.00 0.00 2.52 0.31 -1.26 -2.70 118.33 117.05 3kyp n VAL 152 Ca 0.06 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3kyp n VAL 152 Cb 0.22 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3kyp n VAL 152 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kyp n GLU 153 N -1.91 0.00 0.00 5.55 1.02 -0.82 -4.86 120.64 119.62 3kyp n GLU 153 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3kyp n GLU 153 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 3kyp n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kyp n THR 155 N 0.52 -3.54 -3.37 0.00 -2.24 -0.99 -4.72 114.28 99.94 3kyp n THR 155 Ca 0.00 0.87 -0.44 0.00 -2.27 0.00 0.00 64.05 62.22 3kyp n THR 155 Cb 0.00 -2.21 -0.08 0.00 -2.10 0.00 0.00 70.33 65.94 3kyp n THR 155 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kyp s ARG 156 N -0.14 3.01 -0.34 -0.78 3.52 -1.26 -4.87 118.95 118.09 3kyp s ARG 156 Ca 0.00 -1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 54.23 3kyp s ARG 156 Cb 0.00 -4.05 0.02 0.00 -1.56 0.00 0.00 34.95 29.35 3kyp s ARG 156 CO 0.00 -0.93 1.15 0.42 -0.81 0.00 0.00 175.30 175.13 3kyp s ILE 157 N 1.86 4.35 -0.71 4.11 1.01 -1.26 -4.99 121.20 125.57 3kyp s ILE 157 Ca 0.07 1.52 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 3kyp s ILE 157 Cb -0.21 -4.39 0.14 0.00 0.01 0.00 0.00 42.46 38.02 3kyp s ILE 157 CO 0.10 -0.58 0.79 -0.54 0.00 0.00 0.00 174.94 174.70 3kyp s LYS 158 N 3.94 3.29 0.32 2.79 1.02 -1.26 -5.04 119.74 124.81 3kyp s LYS 158 Ca 0.49 -1.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.47 3kyp s LYS 158 Cb -0.12 -4.44 -0.09 0.00 -0.52 0.00 0.00 37.83 32.66 3kyp s LYS 158 CO 0.20 -1.51 1.11 -1.58 -0.92 0.00 0.00 175.35 172.66 3kyp s TRP 159 N 1.96 3.43 1.22 3.18 0.52 -1.26 -3.85 118.94 124.14 3kyp s TRP 159 Ca 0.16 1.66 -0.19 0.00 0.02 0.00 0.00 56.10 57.75 3kyp s TRP 159 Cb -0.17 -3.29 0.29 0.00 -1.15 0.00 0.00 33.47 29.15 3kyp s TRP 159 CO -0.01 -0.73 1.09 0.15 0.02 0.00 0.00 176.95 177.48 3kyp s LYS 160 N -1.78 -1.33 -0.52 4.98 -0.14 0.25 -4.70 119.74 116.50 3kyp s LYS 160 Ca 0.49 -0.02 -0.08 0.00 -1.36 0.00 0.00 55.97 55.01 3kyp s LYS 160 Cb -0.30 -1.58 -0.07 0.00 -1.68 0.00 0.00 37.83 34.20 3kyp s LYS 160 CO 0.39 -3.79 1.67 0.39 -0.76 0.00 0.00 175.35 173.24 3kyp n GLU 161 N -4.83 1.14 0.00 1.68 -0.58 -1.26 -4.47 120.64 112.33 3kyp n GLU 161 Ca 0.13 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3kyp n GLU 161 Cb 0.59 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 3kyp n GLU 161 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kyp n GLY 162 N 4.03 3.29 0.00 0.62 0.00 -1.26 -5.11 105.19 106.76 3kyp n GLY 162 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kyp n GLY 162 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kyp n LYS 163 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.82 118.16 113.69 3kyp n LYS 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kyp n LYS 163 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kyp n LYS 163 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kyp n ASN 164 N 0.00 0.00 -4.72 3.14 5.03 -1.26 -4.89 115.26 112.55 3kyp n ASN 164 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3kyp n ASN 164 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3kyp n ASN 164 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3kyp s PRO 165 N 2.03 4.61 0.26 3.52 0.06 -1.26 -4.88 135.00 139.35 3kyp s PRO 165 Ca 0.00 1.39 0.09 0.00 0.06 0.00 0.00 61.00 62.54 3kyp s PRO 165 Cb 0.00 -3.42 -0.04 0.00 0.06 0.00 0.00 34.50 31.10 3kyp s PRO 165 CO 0.00 0.10 0.00 0.42 0.06 0.00 0.00 177.00 177.58 3kyp s ILE 166 N 0.47 3.50 -1.08 0.56 -1.09 -1.26 -5.21 121.20 117.10 3kyp s ILE 166 Ca 0.48 -1.88 -0.05 0.00 -2.23 0.00 0.00 60.65 56.97 3kyp s ILE 166 Cb -0.22 -2.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.88 3kyp s ILE 166 CO 0.28 -0.37 2.52 0.00 -1.23 0.00 0.00 174.94 176.15 3kyp n ALA 167 N -0.89 6.73 0.00 9.38 0.00 -1.26 -5.13 120.51 129.34 3kyp n ALA 167 Ca -0.07 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.62 3kyp n ALA 167 Cb 0.59 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3kyp n ALA 167 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3kyp n ILE 185 N 1.55 0.00 1.39 0.00 0.00 -1.26 -5.31 119.36 115.73 3kyp n ILE 185 Ca 0.59 0.00 0.12 0.00 0.00 0.00 0.00 62.75 63.46 3kyp n ILE 185 Cb 0.34 0.00 0.45 0.00 0.00 0.00 0.00 39.64 40.43 3kyp n ILE 185 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3kyp n PHE 186 N 9.00 0.13 0.16 9.51 3.72 -1.26 -3.60 117.46 135.12 3kyp n PHE 186 Ca 0.00 -0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.40 3kyp n PHE 186 Cb 0.00 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 38.85 3kyp n PHE 186 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kyp n GLU 187 N 0.15 0.07 -0.12 -1.08 1.02 -1.26 -1.61 120.64 117.82 3kyp n GLU 187 Ca 0.17 0.52 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 3kyp n GLU 187 Cb 0.31 -1.72 0.11 0.00 -0.02 0.00 0.00 31.44 30.13 3kyp n GLU 187 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3kyp h TRP 188 N 0.00 0.91 -0.03 -0.32 7.01 -1.94 -2.65 115.95 118.93 3kyp h TRP 188 Ca 0.00 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.82 3kyp h TRP 188 Cb 0.06 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3kyp h TRP 188 CO 0.00 0.87 0.02 1.19 -2.79 0.00 0.00 178.44 177.73 3kyp n PHE 189 N -4.17 0.09 -3.75 2.65 3.01 -0.64 -4.83 117.46 109.83 3kyp n PHE 189 Ca 0.02 -0.75 -0.06 0.00 1.01 0.00 0.00 57.45 57.67 3kyp n PHE 189 Cb 0.35 -0.38 -0.00 0.00 -0.01 0.00 0.00 39.48 39.44 3kyp n PHE 189 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3kyp n THR 190 N 0.85 0.00 0.00 4.37 5.66 -1.00 -4.83 114.28 119.33 3kyp n THR 190 Ca 0.02 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 3kyp n THR 190 Cb 0.52 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 3kyp n THR 190 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3kyp n THR 191 N -0.62 0.00 -2.08 1.09 5.66 -1.26 -4.65 114.28 112.42 3kyp n THR 191 Ca -0.02 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.97 3kyp n THR 191 Cb 0.13 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.90 3kyp n THR 191 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3kyp n ASP 192 N 0.00 -0.11 -3.50 1.09 8.00 -1.26 -4.84 116.55 115.93 3kyp n ASP 192 Ca 0.00 -1.63 -0.07 0.00 0.71 0.00 0.00 54.79 53.80 3kyp n ASP 192 Cb 0.00 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3kyp n ASP 192 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kyp s GLU 193 N 0.00 0.37 0.15 -1.24 2.02 -1.26 -4.41 118.70 114.33 3kyp s GLU 193 Ca 0.05 0.87 0.02 0.00 0.02 0.00 0.00 54.97 55.93 3kyp s GLU 193 Cb 0.06 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 3kyp s GLU 193 CO -0.03 -0.43 1.34 -0.07 0.02 0.00 0.00 175.26 176.10 3kyp h LEU 194 N 8.15 0.26 0.00 1.80 3.38 -1.96 -3.49 115.31 123.45 3kyp h LEU 194 Ca -0.18 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3kyp h LEU 194 Cb 1.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3kyp h LEU 194 CO 0.19 1.05 0.00 0.00 0.09 0.00 0.00 178.44 179.77 3kyp n GLN 195 N -3.62 0.00 -0.00 1.13 10.64 -1.26 -3.96 117.38 120.31 3kyp n GLN 195 Ca -0.04 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.24 3kyp n GLN 195 Cb 0.84 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 30.10 3kyp n GLN 195 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3kyp n ASP 196 N 3.89 0.62 0.00 2.61 2.03 -1.26 -4.89 116.55 119.55 3kyp n ASP 196 Ca 0.00 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.73 3kyp n ASP 196 Cb 0.00 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 3kyp n ASP 196 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3kyp n LYS 197 N -1.80 0.00 -3.67 -0.67 3.00 -1.25 -5.06 118.16 108.70 3kyp n LYS 197 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.19 3kyp n LYS 197 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.37 3kyp n LYS 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3kyp s PRO 198 N 0.00 0.69 -0.37 1.64 0.04 -1.26 -5.13 135.00 130.61 3kyp s PRO 198 Ca 0.00 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 3kyp s PRO 198 Cb 0.00 0.33 0.01 0.00 0.04 0.00 0.00 34.50 34.88 3kyp s PRO 198 CO 0.00 -0.08 0.58 0.16 0.04 0.00 0.00 177.00 177.70 3kyp s ASP 199 N 0.33 6.35 0.65 6.66 -4.77 -1.26 -4.88 116.67 119.75 3kyp s ASP 199 Ca -0.00 -0.05 0.38 0.00 -3.30 0.00 0.00 52.55 49.57 3kyp s ASP 199 Cb -0.04 -2.30 2.10 0.00 -1.09 0.00 0.00 42.92 41.59 3kyp s ASP 199 CO 0.01 -0.59 2.23 0.58 0.70 0.00 0.00 175.17 178.10 3kyp h VAL 200 N 5.69 0.13 -0.22 2.11 2.07 -1.96 -1.72 116.25 122.36 3kyp h VAL 200 Ca -0.27 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 3kyp h VAL 200 Cb 1.11 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kyp h VAL 200 CO 0.82 0.00 -0.50 1.23 0.02 0.00 0.00 177.57 179.14 3kyp h GLY 201 N 0.00 0.66 1.70 2.17 0.00 -1.90 -2.18 103.07 103.53 3kyp h GLY 201 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 3kyp h GLY 201 CO -0.00 0.66 -0.59 -2.09 0.00 0.00 0.00 176.54 174.52 3kyp h GLU 202 N 0.48 0.00 0.15 4.80 4.57 -1.59 -3.30 114.58 119.69 3kyp h GLU 202 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3kyp h GLU 202 Cb 1.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3kyp h GLU 202 CO 0.10 0.28 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.07 3kyp h LEU 203 N 0.00 -0.17-10.06 1.64 3.38 -1.53 -3.40 115.31 105.18 3kyp h LEU 203 Ca -0.03 -0.37 -0.54 0.00 0.09 0.00 0.00 57.88 57.03 3kyp h LEU 203 Cb 1.27 0.04 0.12 0.00 0.09 0.00 0.00 40.66 42.19 3kyp h LEU 203 CO 0.04 0.40 0.54 -0.63 0.09 0.00 0.00 178.44 178.88 3kyp s ILE 204 N -3.36 2.36 -0.14 1.22 1.01 -0.82 -1.38 121.20 120.10 3kyp s ILE 204 Ca -0.13 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 3kyp s ILE 204 Cb 0.00 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.38 3kyp s ILE 204 CO 0.48 -0.02 0.15 -2.11 0.00 0.00 0.00 174.94 173.44 3kyp n ARG 205 N -1.23 -3.46 0.00 2.79 -4.01 -1.26 -4.54 116.66 104.95 3kyp n ARG 205 Ca 0.12 2.70 0.00 0.00 -1.04 0.00 0.00 57.85 59.63 3kyp n ARG 205 Cb 0.47 -3.76 0.00 0.00 -3.04 0.00 0.00 32.46 26.13 3kyp n ARG 205 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3kyp n ARG 206 N 1.86 0.00 0.00 2.89 3.00 -1.25 -4.69 116.66 118.47 3kyp n ARG 206 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.59 3kyp n ARG 206 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 3kyp n ARG 206 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3kyp n GLU 207 N 0.00 0.25 -0.00 -0.14 1.02 -0.48 -4.99 120.64 116.29 3kyp n GLU 207 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kyp n GLU 207 Cb 0.00 -0.35 -0.01 0.00 -0.02 0.00 0.00 31.44 31.06 3kyp n GLU 207 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kyp n ILE 208 N -0.47 0.04 -0.09 -3.67 5.41 -0.71 -4.82 119.36 115.04 3kyp n ILE 208 Ca 0.00 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.58 3kyp n ILE 208 Cb 0.00 -0.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.71 3kyp n ILE 208 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3kyp h TRP 209 N 0.00 0.76 -0.10 1.39 2.91 -1.86 -2.81 115.95 116.23 3kyp h TRP 209 Ca -0.02 -0.21 0.03 0.00 1.13 0.00 0.00 58.89 59.82 3kyp h TRP 209 Cb 0.52 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 3kyp h TRP 209 CO 0.00 0.92 -0.09 1.25 -1.03 0.00 0.00 178.44 179.49 3kyp h HIS 210 N 0.38 -0.22 -2.89 2.65 2.76 -1.96 -3.38 115.15 112.49 3kyp h HIS 210 Ca 0.05 0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 57.67 3kyp h HIS 210 Cb 0.76 0.11 -0.40 0.00 1.55 0.00 0.00 27.41 29.43 3kyp h HIS 210 CO 0.07 -0.14 -0.78 1.21 -1.30 0.00 0.00 177.93 176.99 3kyp s ASN 211 N -5.11 3.58 0.37 3.26 3.84 -1.24 -4.97 114.94 114.66 3kyp s ASN 211 Ca -0.14 -1.82 0.22 0.00 0.21 0.00 0.00 52.86 51.33 3kyp s ASN 211 Cb 0.09 -0.63 0.23 0.00 -0.55 0.00 0.00 41.25 40.40 3kyp s ASN 211 CO 0.67 -0.37 1.46 1.55 -2.79 0.00 0.00 177.10 177.62 3kyp h PRO 212 N 7.72 0.00 -0.31 0.43 0.13 -1.69 -3.29 132.00 134.99 3kyp h PRO 212 Ca -0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 3kyp h PRO 212 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3kyp h PRO 212 CO 0.41 0.06 -0.10 1.25 -0.23 0.00 0.00 178.00 179.40 3kyp h LEU 213 N 0.00 0.50 -1.60 1.56 5.85 -1.93 -0.67 115.31 119.02 3kyp h LEU 213 Ca -0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kyp h LEU 213 Cb 1.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3kyp h LEU 213 CO 0.01 0.64 0.27 0.28 -0.34 0.00 0.00 178.44 179.30 3kyp h SER 214 N 0.49 0.47 0.64 1.25 0.02 -1.96 -1.76 113.55 112.69 3kyp h SER 214 Ca 0.09 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.76 3kyp h SER 214 Cb 0.47 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3kyp h SER 214 CO 0.03 0.34 -1.44 1.88 -1.14 0.00 0.00 176.83 176.49 3kyp h TYR 215 N 0.55 0.10 0.00 3.45 0.05 -1.60 -3.21 116.97 116.31 3kyp h TYR 215 Ca 0.15 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3kyp h TYR 215 Cb -0.05 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3kyp h TYR 215 CO -0.00 1.10 0.00 0.98 -1.05 0.00 0.00 178.16 179.19 3kyp n TYR 216 N -3.24 0.00 0.18 4.88 9.36 -0.31 -4.72 117.16 123.30 3kyp n TYR 216 Ca -0.11 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.13 3kyp n TYR 216 Cb 1.01 -0.45 0.02 0.00 -0.63 0.00 0.00 39.34 39.29 3kyp n TYR 216 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36