#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyg s LYS 22 N 0.00 3.91 -0.13 -1.46 -0.14 -1.26 -4.57 119.74 116.09 3kyg s LYS 22 Ca 0.00 0.06 -0.04 0.00 -1.36 0.00 0.00 55.97 54.64 3kyg s LYS 22 Cb 0.00 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3kyg s LYS 22 CO 0.00 0.52 0.00 0.99 -0.76 0.00 0.00 175.35 176.11 3kyg s THR 23 N -0.38 4.28 -0.10 2.17 2.01 0.91 -4.88 115.64 119.65 3kyg s THR 23 Ca 0.17 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 3kyg s THR 23 Cb -0.13 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3kyg s THR 23 CO 0.05 0.54 -0.08 0.54 -0.69 0.00 0.00 174.62 174.98 3kyg s VAL 24 N -0.18 3.57 0.25 3.82 0.11 -1.26 -1.02 120.40 125.69 3kyg s VAL 24 Ca 0.05 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.48 3kyg s VAL 24 Cb -0.13 -2.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.23 3kyg s VAL 24 CO 0.02 0.56 0.44 -0.94 -3.33 0.00 0.00 175.10 171.86 3kyg s SER 25 N -0.36 -0.03 -0.24 3.54 1.04 -0.11 -4.95 113.70 112.60 3kyg s SER 25 Ca 0.05 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 3kyg s SER 25 Cb -0.12 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3kyg s SER 25 CO 0.02 -1.12 0.40 -0.89 0.98 0.00 0.00 173.24 172.63 3kyg s THR 26 N -3.98 5.17 0.08 2.02 2.01 -1.26 -0.75 115.64 118.92 3kyg s THR 26 Ca 0.25 0.67 0.08 0.00 0.31 0.00 0.00 61.69 62.99 3kyg s THR 26 Cb 0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3kyg s THR 26 CO 0.10 0.19 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.37 3kyg s ILE 27 N 1.75 1.75 0.40 1.82 -1.09 0.09 -4.93 121.20 120.99 3kyg s ILE 27 Ca 0.17 -1.41 -0.26 0.00 -2.23 0.00 0.00 60.65 56.92 3kyg s ILE 27 Cb -0.15 -1.56 -0.09 0.00 -1.58 0.00 0.00 42.46 39.08 3kyg s ILE 27 CO 0.09 0.08 1.36 0.54 -1.23 0.00 0.00 174.94 175.78 3kyg s ASN 28 N -1.58 6.27 0.46 3.58 2.20 -1.26 -0.22 114.94 124.38 3kyg s ASN 28 Ca 0.08 2.78 0.21 0.00 -0.94 0.00 0.00 52.86 54.99 3kyg s ASN 28 Cb -0.09 -2.65 1.20 0.00 -2.00 0.00 0.00 41.25 37.71 3kyg s ASN 28 CO 0.03 -0.89 1.91 0.28 -2.94 0.00 0.00 177.10 175.49 3kyg h SER 29 N 2.73 0.26 0.04 3.54 0.02 -1.64 -1.47 113.55 117.04 3kyg h SER 29 Ca -0.50 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kyg h SER 29 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3kyg h SER 29 CO 0.63 0.12 -0.02 0.74 -1.14 0.00 0.00 176.83 177.15 3kyg h THR 30 N 0.27 1.03 -0.15 -2.27 2.02 -1.90 0.28 112.91 112.19 3kyg h THR 30 Ca 0.39 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 3kyg h THR 30 Cb 1.13 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3kyg h THR 30 CO -0.10 0.06 -0.37 0.44 0.37 0.00 0.00 175.52 175.92 3kyg h ASP 31 N -0.16 0.34 0.14 4.18 3.32 -1.83 -1.45 116.42 120.95 3kyg h ASP 31 Ca -0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3kyg h ASP 31 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kyg h ASP 31 CO 0.01 0.69 -0.07 0.00 -1.72 0.00 0.00 179.24 178.15 3kyg h ALA 32 N 1.34 -0.19 0.00 3.45 0.00 -0.99 -3.13 119.26 119.74 3kyg h ALA 32 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kyg h ALA 32 Cb 0.79 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kyg h ALA 32 CO 0.06 -0.46 -0.07 -0.07 0.00 0.00 0.00 179.25 178.72 3kyg h LEU 33 N -0.49 0.00 -1.08 0.00 3.38 -0.34 -2.05 115.31 114.73 3kyg h LEU 33 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kyg h LEU 33 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kyg h LEU 33 CO 0.03 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3kyg h ALA 34 N 1.93 1.00 0.00 1.53 0.00 -1.20 -1.66 119.26 120.86 3kyg h ALA 34 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kyg h ALA 34 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kyg h ALA 34 CO 0.01 0.00 -0.30 -1.33 0.00 0.00 0.00 179.25 177.63 3kyg n MET 35 N -2.55 0.10 -3.65 0.00 2.81 -0.77 -4.82 117.12 108.24 3kyg n MET 35 Ca 0.01 0.05 -0.36 0.00 -1.81 0.00 0.00 57.70 55.59 3kyg n MET 35 Cb 0.24 -1.58 -0.07 0.00 -0.71 0.00 0.00 33.22 31.09 3kyg n MET 35 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kyg s VAL 36 N -3.05 5.36 0.15 2.03 1.01 -0.63 -4.48 120.40 120.80 3kyg s VAL 36 Ca 0.11 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3kyg s VAL 36 Cb 0.16 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3kyg s VAL 36 CO 0.64 0.42 1.05 -1.61 0.00 0.00 0.00 175.10 175.60 3kyg s GLU 37 N 0.35 4.63 0.71 2.72 2.02 -1.26 -5.00 118.70 122.87 3kyg s GLU 37 Ca 0.12 1.62 -0.16 0.00 0.02 0.00 0.00 54.97 56.57 3kyg s GLU 37 Cb -0.12 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.82 3kyg s GLU 37 CO 0.01 0.13 1.23 -2.39 0.02 0.00 0.00 175.26 174.26 3kyg n HIS 38 N 2.54 1.59 -0.13 1.61 1.44 -1.26 -2.29 115.22 118.72 3kyg n HIS 38 Ca 0.03 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 3kyg n HIS 38 Cb 0.47 -2.20 0.00 0.00 0.12 0.00 0.00 29.99 28.39 3kyg n HIS 38 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3kyg n SER 39 N -2.33 0.00 -4.79 4.39 7.64 -0.12 -5.00 113.62 113.41 3kyg n SER 39 Ca 0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 3kyg n SER 39 Cb 0.49 -0.06 0.08 0.00 -1.01 0.00 0.00 64.21 63.70 3kyg n SER 39 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kyg s SER 40 N -3.79 4.83 0.11 6.43 1.04 -0.97 -4.45 113.70 116.90 3kyg s SER 40 Ca 0.00 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 57.83 3kyg s SER 40 Cb 0.00 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 3kyg s SER 40 CO 0.00 -1.81 0.95 -0.70 0.98 0.00 0.00 173.24 172.66 3kyg s GLU 41 N -4.98 4.68 -0.01 4.02 2.12 -1.26 -0.52 118.70 122.75 3kyg s GLU 41 Ca 0.60 1.42 0.02 0.00 0.36 0.00 0.00 54.97 57.37 3kyg s GLU 41 Cb -0.16 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3kyg s GLU 41 CO 0.56 0.22 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.95 3kyg s LEU 42 N -0.02 3.33 -0.24 2.70 1.43 0.25 -4.46 118.68 121.68 3kyg s LEU 42 Ca 0.46 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3kyg s LEU 42 Cb -0.23 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3kyg s LEU 42 CO 0.29 0.30 0.00 -0.89 0.23 0.00 0.00 176.35 176.28 3kyg s THR 43 N -1.01 3.68 -0.23 5.49 2.01 -0.22 -1.86 115.64 123.50 3kyg s THR 43 Ca 0.17 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 3kyg s THR 43 Cb -0.11 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3kyg s THR 43 CO 0.08 0.36 0.09 -0.76 -0.69 0.00 0.00 174.62 173.70 3kyg s LEU 44 N 1.52 3.69 -0.23 4.42 1.02 0.04 -0.89 118.68 128.25 3kyg s LEU 44 Ca 0.05 -0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.11 3kyg s LEU 44 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.08 3kyg s LEU 44 CO -0.01 0.03 -0.05 -0.44 0.02 0.00 0.00 176.35 175.91 3kyg s SER 45 N 1.22 4.28 0.00 2.29 0.01 0.92 -1.97 113.70 120.44 3kyg s SER 45 Ca 0.05 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.86 3kyg s SER 45 Cb -0.14 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 3kyg s SER 45 CO 0.04 -0.05 -0.21 -0.63 0.41 0.00 0.00 173.24 172.80 3kyg s ILE 46 N 1.44 2.55 -0.14 1.44 1.01 0.95 -1.67 121.20 126.78 3kyg s ILE 46 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 3kyg s ILE 46 Cb -0.15 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.37 3kyg s ILE 46 CO -0.04 0.48 -0.05 -0.89 0.00 0.00 0.00 174.94 174.44 3kyg s THR 47 N -0.77 0.95 0.79 2.92 2.01 -1.26 -0.87 115.64 119.41 3kyg s THR 47 Ca 0.12 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 3kyg s THR 47 Cb -0.10 -1.09 0.06 0.00 0.01 0.00 0.00 72.50 71.38 3kyg s THR 47 CO 0.02 0.20 1.12 0.42 -0.69 0.00 0.00 174.62 175.68 3kyg s THR 48 N 1.72 2.84 0.48 -0.82 -4.23 -0.29 -4.86 115.64 110.49 3kyg s THR 48 Ca 0.03 0.27 0.28 0.00 -1.18 0.00 0.00 61.69 61.09 3kyg s THR 48 Cb -0.14 -3.14 0.47 0.00 1.34 0.00 0.00 72.50 71.03 3kyg s THR 48 CO -0.08 -0.36 1.82 -0.65 -0.54 0.00 0.00 174.62 174.81 3kyg h PRO 49 N -1.01 0.16 -0.05 3.99 0.11 -1.93 0.84 132.00 134.10 3kyg h PRO 49 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kyg h PRO 49 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kyg h PRO 49 CO 0.62 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.85 3kyg n VAL 50 N -4.37 0.05 -0.47 3.15 0.24 -1.26 -4.94 118.33 110.73 3kyg n VAL 50 Ca 0.23 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3kyg n VAL 50 Cb 1.02 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 3kyg n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kyg n GLY 51 N 1.19 0.74 3.71 7.63 0.00 0.29 -5.04 105.19 113.71 3kyg n GLY 51 Ca 0.18 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3kyg n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyg s THR 52 N -2.00 4.03 -0.00 2.61 2.01 -1.25 -4.70 115.64 116.33 3kyg s THR 52 Ca 0.00 1.45 -0.19 0.00 0.31 0.00 0.00 61.69 63.26 3kyg s THR 52 Cb 0.00 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 3kyg s THR 52 CO 0.00 0.09 0.53 -0.54 -0.69 0.00 0.00 174.62 174.02 3kyg s LYS 53 N 1.26 4.22 -0.10 4.92 -0.14 -1.26 -1.13 119.74 127.50 3kyg s LYS 53 Ca 0.59 0.63 -0.10 0.00 -1.36 0.00 0.00 55.97 55.72 3kyg s LYS 53 Cb -0.29 -3.31 0.03 0.00 -1.68 0.00 0.00 37.83 32.58 3kyg s LYS 53 CO 0.28 0.46 0.29 0.12 -0.76 0.00 0.00 175.35 175.74 3kyg s PHE 54 N -0.45 -0.30 -0.02 3.18 5.36 -0.05 -5.01 117.98 120.69 3kyg s PHE 54 Ca 0.28 0.72 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 3kyg s PHE 54 Cb -0.18 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 3kyg s PHE 54 CO 0.16 -0.17 -0.14 0.08 -1.46 0.00 0.00 175.22 173.69 3kyg s VAL 55 N 0.04 1.11 0.07 3.12 1.01 -1.26 -0.03 120.40 124.45 3kyg s VAL 55 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3kyg s VAL 55 Cb -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3kyg s VAL 55 CO 0.01 0.32 0.13 0.00 0.00 0.00 0.00 175.10 175.56 3kyg s ARG 57 N -3.51 1.36 -0.04 0.00 0.52 -1.26 -0.78 118.95 115.25 3kyg s ARG 57 Ca 0.02 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 53.95 3kyg s ARG 57 Cb 0.04 -1.51 0.09 0.00 0.52 0.00 0.00 34.95 34.08 3kyg s ARG 57 CO -0.09 0.38 0.76 -0.08 0.02 0.00 0.00 175.30 176.29 3kyg s THR 58 N -0.86 0.00 0.36 0.02 -1.32 -0.78 -4.84 115.64 108.22 3kyg s THR 58 Ca 0.08 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.28 3kyg s THR 58 Cb -0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.81 3kyg s THR 58 CO 0.02 0.00 1.23 -2.84 -2.21 0.00 0.00 174.62 170.83 3kyg s PRO 59 N -1.77 4.24 0.15 7.08 0.02 -1.26 -0.58 135.00 142.89 3kyg s PRO 59 Ca -0.05 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 3kyg s PRO 59 Cb -0.00 -2.92 -0.07 0.00 0.02 0.00 0.00 34.50 31.52 3kyg s PRO 59 CO 0.02 -0.22 1.11 0.12 -0.33 0.00 0.00 177.00 177.71 3kyg s PHE 60 N -1.24 3.57 -0.18 6.54 5.36 0.32 -1.08 117.98 131.26 3kyg s PHE 60 Ca 0.52 1.55 -0.16 0.00 -0.96 0.00 0.00 56.93 57.88 3kyg s PHE 60 Cb -0.36 -3.30 -0.07 0.00 -0.34 0.00 0.00 43.02 38.96 3kyg s PHE 60 CO 0.46 -0.71 -0.29 -0.89 -1.46 0.00 0.00 175.22 172.33 3kyg n ILE 61 N 2.65 1.49 -3.62 3.12 5.41 0.11 -0.94 119.36 127.58 3kyg n ILE 61 Ca 0.04 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3kyg n ILE 61 Cb 0.46 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 3kyg n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kyg n GLY 62 N 1.47 -0.75 3.15 7.39 0.00 -1.06 -4.37 105.19 111.02 3kyg n GLY 62 Ca -0.18 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3kyg n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyg s THR 63 N -3.00 1.16 -0.33 2.61 -4.23 -1.26 0.17 115.64 110.76 3kyg s THR 63 Ca 0.00 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 3kyg s THR 63 Cb 0.00 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3kyg s THR 63 CO 0.00 0.05 0.22 -2.28 -0.54 0.00 0.00 174.62 172.07 3kyg s HIS 64 N -0.80 3.22 0.00 3.99 2.46 -0.75 -4.95 115.29 118.46 3kyg s HIS 64 Ca 0.02 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.37 3kyg s HIS 64 Cb -0.08 -2.45 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 3kyg s HIS 64 CO 0.01 -0.33 0.00 0.25 -2.47 0.00 0.00 174.74 172.20 3kyg n THR 65 N 5.09 0.00 -0.97 0.89 -2.24 -1.26 -0.52 114.28 115.26 3kyg n THR 65 Ca -0.13 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.74 3kyg n THR 65 Cb 0.50 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.85 3kyg n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kyg n ASP 66 N 1.95 2.26 -0.00 3.42 5.75 -1.26 -4.79 116.55 123.88 3kyg n ASP 66 Ca 0.00 -2.95 -0.21 0.00 -0.01 0.00 0.00 54.79 51.62 3kyg n ASP 66 Cb 0.00 -0.38 -0.14 0.00 -1.03 0.00 0.00 41.12 39.58 3kyg n ASP 66 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3kyg h LYS 67 N 0.00 0.22 -3.54 0.11 1.57 -1.21 -3.43 116.57 110.28 3kyg h LYS 67 Ca 0.00 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.27 3kyg h LYS 67 Cb 0.95 0.14 -0.20 0.00 0.08 0.00 0.00 32.23 33.20 3kyg h LYS 67 CO 0.00 1.18 -0.49 -0.06 -0.57 0.00 0.00 179.45 179.50 3kyg s PHE 68 N -2.47 0.06 -0.28 -1.35 0.08 -1.18 -4.36 117.98 108.48 3kyg s PHE 68 Ca -0.21 -0.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3kyg s PHE 68 Cb 0.05 -0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 3kyg s PHE 68 CO 0.75 -0.30 0.19 -1.17 -0.10 0.00 0.00 175.22 174.59 3kyg s LEU 69 N -1.47 4.03 -0.15 -0.37 2.96 0.50 -1.81 118.68 122.36 3kyg s LEU 69 Ca -0.14 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 3kyg s LEU 69 Cb -0.07 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3kyg s LEU 69 CO 0.01 -0.06 0.19 -0.76 -1.32 0.00 0.00 176.35 174.41 3kyg s LEU 70 N 1.76 4.29 0.12 -0.68 1.02 0.13 -0.31 118.68 125.00 3kyg s LEU 70 Ca 0.07 0.41 0.04 0.00 0.02 0.00 0.00 54.13 54.68 3kyg s LEU 70 Cb -0.16 -2.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 3kyg s LEU 70 CO 0.11 0.24 -0.11 0.68 0.02 0.00 0.00 176.35 177.29 3kyg s VAL 71 N -0.15 1.10 0.27 -1.59 -7.23 -0.48 -0.71 120.40 111.61 3kyg s VAL 71 Ca 0.13 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 3kyg s VAL 71 Cb -0.12 -1.52 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 3kyg s VAL 71 CO 0.02 -0.57 1.25 -1.61 -0.31 0.00 0.00 175.10 173.88 3kyg s GLU 72 N -2.99 4.45 0.06 4.82 2.02 -0.24 -1.87 118.70 124.95 3kyg s GLU 72 Ca 0.09 2.03 -0.31 0.00 0.02 0.00 0.00 54.97 56.81 3kyg s GLU 72 Cb -0.02 -3.15 -0.08 0.00 0.10 0.00 0.00 34.13 30.97 3kyg s GLU 72 CO 0.01 -0.10 1.68 1.41 0.02 0.00 0.00 175.26 178.29 3kyg s MET 73 N -1.07 4.19 0.65 1.61 -2.45 -0.80 -4.62 119.30 116.80 3kyg s MET 73 Ca 0.50 2.36 -0.16 0.00 -1.25 0.00 0.00 55.69 57.14 3kyg s MET 73 Cb -0.36 -3.66 -0.00 0.00 1.25 0.00 0.00 34.83 32.05 3kyg s MET 73 CO 0.44 -0.76 1.13 -1.25 1.05 0.00 0.00 175.02 175.63 3kyg s PRO 74 N 2.86 2.79 -1.04 4.11 0.04 -1.26 -4.92 135.00 137.59 3kyg s PRO 74 Ca 0.75 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 3kyg s PRO 74 Cb -0.40 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.31 3kyg s PRO 74 CO 0.33 -1.27 1.33 0.15 0.04 0.00 0.00 177.00 177.58 3kyg s LYS 75 N -3.91 3.73 0.35 4.56 1.02 -1.26 -4.96 119.74 119.26 3kyg s LYS 75 Ca 0.69 -1.76 0.08 0.00 0.02 0.00 0.00 55.97 55.00 3kyg s LYS 75 Cb -0.23 -5.13 -0.05 0.00 -0.52 0.00 0.00 37.83 31.91 3kyg s LYS 75 CO 0.39 -1.94 0.09 0.96 -0.92 0.00 0.00 175.35 173.94 3kyg s ILE 76 N 3.26 2.75 0.91 2.17 -4.36 -1.26 -5.13 121.20 119.53 3kyg s ILE 76 Ca 0.40 -1.81 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 3kyg s ILE 76 Cb -0.02 -2.91 0.14 0.00 1.25 0.00 0.00 42.46 40.92 3kyg s ILE 76 CO -0.06 -0.16 1.16 -0.94 0.24 0.00 0.00 174.94 175.18 3kyg s SER 77 N -3.80 3.56 0.24 4.36 1.04 -1.26 -4.83 113.70 113.02 3kyg s SER 77 Ca 0.37 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.59 3kyg s SER 77 Cb -0.00 -1.31 0.27 0.00 0.10 0.00 0.00 66.02 65.07 3kyg s SER 77 CO 0.21 -2.50 1.78 0.00 0.98 0.00 0.00 173.24 173.71 3kyg h ALA 78 N -1.47 1.10 -0.43 5.32 0.00 -2.00 0.26 119.26 122.05 3kyg h ALA 78 Ca -0.49 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3kyg h ALA 78 Cb 1.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3kyg h ALA 78 CO 0.59 0.61 0.05 -0.44 0.00 0.00 0.00 179.25 180.05 3kyg h ASP 79 N 0.95 0.70 -0.41 0.00 5.19 -1.99 -0.83 116.42 120.04 3kyg h ASP 79 Ca 0.21 -0.28 0.07 0.00 -0.62 0.00 0.00 57.03 56.42 3kyg h ASP 79 Cb 0.31 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 3kyg h ASP 79 CO -0.00 0.80 0.01 0.44 -3.12 0.00 0.00 179.24 177.36 3kyg h ASP 80 N 0.58 -0.16 -0.46 6.45 3.45 -1.78 0.16 116.42 124.66 3kyg h ASP 80 Ca 0.13 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 3kyg h ASP 80 Cb 0.41 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3kyg h ASP 80 CO 0.01 -0.04 0.23 0.25 -1.57 0.00 0.00 179.24 178.12 3kyg h LEU 81 N 0.11 0.58 -0.13 1.55 5.85 -0.72 0.33 115.31 122.88 3kyg h LEU 81 Ca 0.20 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kyg h LEU 81 Cb 0.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3kyg h LEU 81 CO -0.33 0.53 0.07 -0.61 -0.34 0.00 0.00 178.44 177.76 3kyg h GLN 82 N 0.60 0.19 0.00 1.25 4.15 -0.23 -2.53 115.11 118.54 3kyg h GLN 82 Ca 0.16 -0.03 -0.31 0.00 0.77 0.00 0.00 58.65 59.25 3kyg h GLN 82 Cb 0.09 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 3kyg h GLN 82 CO -0.02 0.23 -1.85 0.66 -1.93 0.00 0.00 178.83 175.91 3kyg n TYR 83 N -4.93 0.79 0.22 3.99 4.02 0.47 -4.69 117.16 117.03 3kyg n TYR 83 Ca -0.05 0.29 0.03 0.00 -0.01 0.00 0.00 57.90 58.16 3kyg n TYR 83 Cb 0.08 -1.15 -0.03 0.00 -0.02 0.00 0.00 39.34 38.22 3kyg n TYR 83 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3kyg n PHE 84 N -2.98 0.00 -3.15 -0.72 3.72 0.11 -4.83 117.46 109.60 3kyg n PHE 84 Ca -0.20 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.96 3kyg n PHE 84 Cb 1.07 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.54 3kyg n PHE 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kyg n PHE 85 N -1.23 1.94 -3.88 1.38 7.35 -0.95 -4.98 117.46 117.08 3kyg n PHE 85 Ca 0.01 -3.89 -0.35 0.00 -0.76 0.00 0.00 57.45 52.45 3kyg n PHE 85 Cb 0.10 -0.45 -0.05 0.00 0.35 0.00 0.00 39.48 39.42 3kyg n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kyg s GLN 86 N -2.54 3.45 0.34 -4.13 -0.21 -1.25 -4.79 119.66 110.53 3kyg s GLN 86 Ca 0.42 -0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.31 3kyg s GLN 86 Cb 0.26 -3.15 -0.12 0.00 1.00 0.00 0.00 33.01 31.00 3kyg s GLN 86 CO -0.09 0.73 1.34 0.39 -2.12 0.00 0.00 175.29 175.54 3kyg n GLU 87 N 1.51 2.24 0.00 2.91 4.71 -1.26 -1.60 120.64 129.15 3kyg n GLU 87 Ca -0.16 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3kyg n GLU 87 Cb 0.54 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.57 3kyg n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kyg n GLY 88 N 0.76 3.40 3.77 0.62 0.00 0.74 -5.02 105.19 109.47 3kyg n GLY 88 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3kyg n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kyg s PHE 89 N -2.98 3.23 0.11 1.61 0.40 -0.63 -4.79 117.98 114.94 3kyg s PHE 89 Ca 0.00 1.58 -0.01 0.00 -0.60 0.00 0.00 56.93 57.90 3kyg s PHE 89 Cb 0.00 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 3kyg s PHE 89 CO 0.00 -1.12 0.29 -1.58 0.70 0.00 0.00 175.22 173.51 3kyg s TRP 90 N -1.32 3.50 0.16 0.36 0.52 -1.26 -1.15 118.94 119.76 3kyg s TRP 90 Ca 0.52 0.35 -0.18 0.00 0.02 0.00 0.00 56.10 56.81 3kyg s TRP 90 Cb -0.32 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.20 3kyg s TRP 90 CO 0.41 0.50 0.49 0.00 0.02 0.00 0.00 176.95 178.37 3kyg s MET 91 N -2.73 1.25 -0.17 4.98 0.23 0.22 -4.65 119.30 118.43 3kyg s MET 91 Ca 0.37 -0.75 -0.09 0.00 -1.03 0.00 0.00 55.69 54.19 3kyg s MET 91 Cb -0.12 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.64 3kyg s MET 91 CO 0.27 -0.52 0.14 -0.80 -2.03 0.00 0.00 175.02 172.08 3kyg s ASN 92 N -2.83 6.28 -0.03 -1.18 0.01 -0.67 -1.37 114.94 115.14 3kyg s ASN 92 Ca 0.06 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.58 3kyg s ASN 92 Cb 0.00 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 3kyg s ASN 92 CO -0.08 0.26 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.95 3kyg s ILE 93 N -0.12 1.56 -0.07 0.60 1.01 0.31 -0.06 121.20 124.44 3kyg s ILE 93 Ca 0.11 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3kyg s ILE 93 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 3kyg s ILE 93 CO 0.00 0.44 -0.23 -0.60 0.00 0.00 0.00 174.94 174.55 3kyg s ARG 94 N -0.22 2.68 0.11 2.79 3.52 -0.07 -1.73 118.95 126.03 3kyg s ARG 94 Ca 0.02 -0.88 0.06 0.00 -0.13 0.00 0.00 55.73 54.80 3kyg s ARG 94 Cb -0.10 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 31.03 3kyg s ARG 94 CO 0.01 0.35 -0.16 0.00 -0.81 0.00 0.00 175.30 174.70 3kyg s ALA 95 N -0.08 1.50 0.20 6.12 0.00 0.06 -1.06 121.76 128.49 3kyg s ALA 95 Ca -0.06 -1.21 0.11 0.00 0.00 0.00 0.00 51.96 50.79 3kyg s ALA 95 Cb -0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3kyg s ALA 95 CO 0.04 0.18 -0.18 0.42 0.00 0.00 0.00 175.76 176.23 3kyg s ILE 96 N -1.70 2.69 -0.04 0.00 -1.09 -1.26 -0.75 121.20 119.04 3kyg s ILE 96 Ca 0.06 -1.94 0.03 0.00 -2.23 0.00 0.00 60.65 56.57 3kyg s ILE 96 Cb -0.07 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 3kyg s ILE 96 CO 0.03 -0.16 -0.13 -0.55 -1.23 0.00 0.00 174.94 172.90 3kyg s SER 97 N -2.85 1.77 0.00 3.58 0.15 -0.56 -4.46 113.70 111.33 3kyg s SER 97 Ca 0.24 -0.29 0.18 0.00 0.70 0.00 0.00 55.95 56.77 3kyg s SER 97 Cb -0.08 -0.59 0.52 0.00 -1.71 0.00 0.00 66.02 64.16 3kyg s SER 97 CO 0.13 0.09 1.42 -0.81 1.20 0.00 0.00 173.24 175.26 3kyg n PRO 98 N 3.39 2.04 -2.03 5.44 -0.04 -1.26 -1.78 135.00 140.76 3kyg n PRO 98 Ca -0.20 -1.59 -0.41 0.00 -0.04 0.00 0.00 63.50 61.26 3kyg n PRO 98 Cb 0.53 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 3kyg n PRO 98 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kyg s ARG 99 N -1.52 4.27 7.06 0.54 0.52 -1.26 -4.41 118.95 124.15 3kyg s ARG 99 Ca 0.33 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 3kyg s ARG 99 Cb 0.18 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.52 3kyg s ARG 99 CO 0.24 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.54 3kyg n GLY 100 N 2.48 3.79 0.15 -3.53 0.00 -1.26 0.34 105.19 107.15 3kyg n GLY 100 Ca 0.08 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.28 3kyg n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyg n GLU 101 N 14.00 0.90 0.00 1.61 -0.58 -1.26 -5.01 120.64 130.30 3kyg n GLU 101 Ca 0.00 -0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3kyg n GLU 101 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3kyg n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kyg n GLY 102 N 1.20 1.35 3.09 0.62 0.00 0.15 -5.06 105.19 106.55 3kyg n GLY 102 Ca 0.17 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 3kyg n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyg s ALA 103 N -2.09 0.50 -0.06 4.61 0.00 -0.73 -4.51 121.76 119.48 3kyg s ALA 103 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.79 3kyg s ALA 103 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3kyg s ALA 103 CO 0.00 -0.37 -0.15 -0.51 0.00 0.00 0.00 175.76 174.73 3kyg s LEU 104 N -2.92 2.68 -0.19 0.00 1.43 -0.05 -1.50 118.68 118.13 3kyg s LEU 104 Ca 0.07 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3kyg s LEU 104 Cb 0.08 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3kyg s LEU 104 CO -0.10 0.31 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 3kyg s ILE 105 N -0.51 2.53 -0.05 -0.59 1.09 0.07 -0.30 121.20 123.44 3kyg s ILE 105 Ca 0.07 -0.79 0.06 0.00 -1.10 0.00 0.00 60.65 58.89 3kyg s ILE 105 Cb -0.12 -2.09 -0.01 0.00 -1.06 0.00 0.00 42.46 39.18 3kyg s ILE 105 CO 0.01 0.50 -0.25 -1.00 -0.10 0.00 0.00 174.94 174.11 3kyg s HIS 106 N 1.26 2.43 0.25 3.97 3.76 0.13 -0.76 115.29 126.32 3kyg s HIS 106 Ca 0.03 -0.69 -0.19 0.00 -0.15 0.00 0.00 55.06 54.06 3kyg s HIS 106 Cb -0.14 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 31.98 3kyg s HIS 106 CO -0.08 -0.20 0.62 -0.59 -0.85 0.00 0.00 174.74 173.65 3kyg s PHE 107 N -0.21 -0.09 -0.06 1.40 -0.12 -0.70 -0.30 117.98 117.89 3kyg s PHE 107 Ca -0.02 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 56.60 3kyg s PHE 107 Cb -0.13 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 3kyg s PHE 107 CO 0.03 -1.10 -0.24 0.50 -0.05 0.00 0.00 175.22 174.37 3kyg s ARG 108 N -3.92 2.62 0.07 1.99 3.52 -1.26 -0.53 118.95 121.44 3kyg s ARG 108 Ca 0.12 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 3kyg s ARG 108 Cb -0.04 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 3kyg s ARG 108 CO 0.04 0.38 0.11 0.45 -0.81 0.00 0.00 175.30 175.47 3kyg s SER 109 N -0.15 0.24 -0.13 -2.12 0.15 -0.47 -4.50 113.70 106.72 3kyg s SER 109 Ca -0.04 -0.76 -0.03 0.00 0.70 0.00 0.00 55.95 55.83 3kyg s SER 109 Cb -0.14 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 3kyg s SER 109 CO 0.04 -0.67 -0.04 -1.58 1.20 0.00 0.00 173.24 172.19 3kyg s GLN 110 N -3.80 3.40 -0.15 5.44 0.74 -1.26 -0.61 119.66 123.41 3kyg s GLN 110 Ca 0.05 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 3kyg s GLN 110 Cb 0.06 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 3kyg s GLN 110 CO -0.10 0.39 1.56 -1.17 -0.55 0.00 0.00 175.29 175.42 3kyg s LEU 111 N -0.05 4.11 -0.26 3.68 2.96 -0.30 -0.43 118.68 128.38 3kyg s LEU 111 Ca 0.02 1.85 -0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3kyg s LEU 111 Cb -0.13 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 3kyg s LEU 111 CO 0.03 -1.03 -0.26 0.23 -1.32 0.00 0.00 176.35 173.99 3kyg n MET 112 N 7.25 0.63 -3.76 1.98 2.81 0.61 -0.18 117.12 126.47 3kyg n MET 112 Ca 0.17 0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 56.15 3kyg n MET 112 Cb 0.44 -1.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 3kyg n MET 112 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 3kyg s HIS 113 N -2.52 -0.08 -0.09 2.03 3.76 -1.07 -4.74 115.29 112.59 3kyg s HIS 113 Ca -0.36 -0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3kyg s HIS 113 Cb 0.11 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.91 3kyg s HIS 113 CO 0.57 -0.53 -0.10 0.42 -0.85 0.00 0.00 174.74 174.25 3kyg s ILE 114 N -2.84 1.08 -0.05 0.60 1.01 -1.26 -0.37 121.20 119.37 3kyg s ILE 114 Ca -0.03 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.30 3kyg s ILE 114 Cb 0.00 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3kyg s ILE 114 CO -0.05 0.36 -0.21 -0.76 0.00 0.00 0.00 174.94 174.28 3kyg s LEU 115 N 1.20 2.31 -0.10 2.97 1.43 0.64 -4.99 118.68 122.14 3kyg s LEU 115 Ca -0.04 -0.39 0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3kyg s LEU 115 Cb -0.14 -1.43 -0.30 0.00 0.03 0.00 0.00 46.19 44.35 3kyg s LEU 115 CO -0.03 0.30 0.30 1.67 0.23 0.00 0.00 176.35 178.82 3kyg n GLN 116 N 2.62 0.67 -4.84 1.70 -0.06 -1.26 -0.77 117.38 115.44 3kyg n GLN 116 Ca -0.17 -0.11 -0.32 0.00 -2.00 0.00 0.00 57.00 54.40 3kyg n GLN 116 Cb 0.52 -1.52 -0.13 0.00 -4.06 0.00 0.00 30.24 25.04 3kyg n GLN 116 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3kyg s GLU 117 N -3.06 2.35 0.00 3.69 0.41 -1.26 -3.10 118.70 117.74 3kyg s GLU 117 Ca -0.09 -0.79 0.29 0.00 -0.41 0.00 0.00 54.97 53.97 3kyg s GLU 117 Cb 0.10 -2.30 1.36 0.00 -1.78 0.00 0.00 34.13 31.51 3kyg s GLU 117 CO 0.87 0.59 1.96 -0.35 -0.49 0.00 0.00 175.26 177.85 3kyg n PRO 118 N 2.06 0.41 -3.72 0.39 -0.04 -1.26 -4.95 135.00 127.90 3kyg n PRO 118 Ca -0.17 -0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.10 3kyg n PRO 118 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3kyg n PRO 118 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kyg s VAL 119 N -2.63 0.04 -0.09 0.52 0.11 -1.18 -5.12 120.40 112.05 3kyg s VAL 119 Ca 0.26 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 3kyg s VAL 119 Cb 0.20 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 3kyg s VAL 119 CO 0.49 -0.18 1.89 -2.84 -3.33 0.00 0.00 175.10 171.12 3kyg s PRO 120 N -1.07 3.85 0.02 1.54 0.02 -1.19 -4.45 135.00 133.71 3kyg s PRO 120 Ca -0.11 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.09 3kyg s PRO 120 Cb -0.04 -4.15 -0.02 0.00 0.02 0.00 0.00 34.50 30.31 3kyg s PRO 120 CO 0.05 -1.27 0.01 -1.64 -0.33 0.00 0.00 177.00 173.82 3kyg s MET 121 N 4.85 0.35 -0.02 5.54 -1.94 0.05 -1.91 119.30 126.23 3kyg s MET 121 Ca 0.85 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 54.34 3kyg s MET 121 Cb -0.35 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.60 3kyg s MET 121 CO 0.35 -0.07 -0.25 0.00 -0.01 0.00 0.00 175.02 175.05 3kyg s ALA 122 N -1.45 2.09 -0.22 3.03 0.00 -0.78 -0.26 121.76 124.17 3kyg s ALA 122 Ca -0.16 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 3kyg s ALA 122 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3kyg s ALA 122 CO -0.00 0.51 -0.04 -0.06 0.00 0.00 0.00 175.76 176.17 3kyg s PHE 123 N -0.59 2.96 0.15 0.00 0.08 0.50 -1.38 117.98 119.70 3kyg s PHE 123 Ca 0.10 -0.99 0.08 0.00 0.12 0.00 0.00 56.93 56.23 3kyg s PHE 123 Cb -0.10 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3kyg s PHE 123 CO -0.01 -0.57 -0.05 -0.51 -0.10 0.00 0.00 175.22 173.98 3kyg s LEU 124 N 1.47 3.16 0.72 -0.37 1.43 0.58 -0.28 118.68 125.38 3kyg s LEU 124 Ca 0.05 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3kyg s LEU 124 Cb -0.14 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3kyg s LEU 124 CO -0.03 0.12 1.09 -0.94 0.23 0.00 0.00 176.35 176.81 3kyg s SER 125 N -2.69 4.86 -0.29 2.29 1.04 0.43 -0.37 113.70 118.96 3kyg s SER 125 Ca 0.25 1.84 -0.06 0.00 0.48 0.00 0.00 55.95 58.46 3kyg s SER 125 Cb -0.10 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.51 3kyg s SER 125 CO 0.16 -1.79 0.06 -0.63 0.98 0.00 0.00 173.24 172.02 3kyg s ILE 126 N -2.74 3.76 0.82 -1.02 1.01 -1.26 -4.50 121.20 117.26 3kyg s ILE 126 Ca 0.62 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3kyg s ILE 126 Cb -0.18 -2.95 0.08 0.00 0.01 0.00 0.00 42.46 39.43 3kyg s ILE 126 CO 0.51 0.08 1.09 -2.16 0.00 0.00 0.00 174.94 174.46 3kyg s PRO 127 N 1.46 1.92 0.34 2.79 0.04 -1.26 -4.95 135.00 135.33 3kyg s PRO 127 Ca 0.02 0.74 0.05 0.00 0.04 0.00 0.00 61.00 61.85 3kyg s PRO 127 Cb -0.17 -1.89 0.62 0.00 0.04 0.00 0.00 34.50 33.09 3kyg s PRO 127 CO 0.01 -1.76 1.86 -0.91 0.04 0.00 0.00 177.00 176.24 3kyg h ASN 128 N -1.20 0.43 -5.22 6.66 2.35 -1.96 -3.40 115.58 113.23 3kyg h ASN 128 Ca -0.47 -0.09 -0.23 0.00 -0.55 0.00 0.00 56.30 54.96 3kyg h ASN 128 Cb 1.27 -0.11 -0.15 0.00 0.05 0.00 0.00 38.32 39.38 3kyg h ASN 128 CO 0.57 0.54 -0.64 0.42 -1.65 0.00 0.00 177.43 176.68 3kyg s THR 129 N -4.84 0.22 0.06 2.81 -4.23 -1.26 -2.07 115.64 106.33 3kyg s THR 129 Ca -0.07 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 3kyg s THR 129 Cb 0.15 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 3kyg s THR 129 CO 0.76 -0.34 0.06 -0.04 -0.54 0.00 0.00 174.62 174.53 3kyg s MET 130 N -4.05 0.66 -0.21 3.99 -1.94 0.69 -4.73 119.30 113.71 3kyg s MET 130 Ca 0.28 -1.01 -0.14 0.00 -1.71 0.00 0.00 55.69 53.11 3kyg s MET 130 Cb 0.07 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 3kyg s MET 130 CO 0.05 -0.16 0.30 -0.65 -0.01 0.00 0.00 175.02 174.55 3kyg s GLN 131 N -3.52 4.15 -0.11 2.03 -1.52 0.58 -0.73 119.66 120.54 3kyg s GLN 131 Ca 0.03 0.02 0.02 0.00 -1.95 0.00 0.00 55.36 53.48 3kyg s GLN 131 Cb 0.04 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 29.30 3kyg s GLN 131 CO -0.09 0.03 -0.17 0.08 -0.25 0.00 0.00 175.29 174.89 3kyg s VAL 132 N 1.11 2.68 -0.23 1.09 1.01 0.07 0.19 120.40 126.32 3kyg s VAL 132 Ca 0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3kyg s VAL 132 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3kyg s VAL 132 CO 0.06 0.54 -0.02 -0.44 0.00 0.00 0.00 175.10 175.24 3kyg s SER 133 N 0.24 4.44 0.15 3.32 0.01 0.59 -0.93 113.70 121.51 3kyg s SER 133 Ca -0.11 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 3kyg s SER 133 Cb -0.16 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 3kyg s SER 133 CO 0.06 -0.03 0.14 0.00 0.41 0.00 0.00 173.24 173.83 3kyg s GLN 134 N 1.50 1.03 0.23 12.44 -2.07 -0.19 -0.87 119.66 131.72 3kyg s GLN 134 Ca 0.06 -1.36 0.07 0.00 -1.82 0.00 0.00 55.36 52.31 3kyg s GLN 134 Cb -0.14 0.29 0.22 0.00 -1.09 0.00 0.00 33.01 32.29 3kyg s GLN 134 CO -0.02 -0.33 1.53 0.00 -1.32 0.00 0.00 175.29 175.15 3kyg h ARG 135 N 2.73 0.11 -6.42 9.60 2.47 -1.80 0.26 114.38 121.33 3kyg h ARG 135 Ca -0.34 -0.09 -0.54 0.00 -1.26 0.00 0.00 59.98 57.75 3kyg h ARG 135 Cb 1.21 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 3kyg h ARG 135 CO 0.55 0.75 0.75 1.03 0.56 0.00 0.00 179.97 183.61 3kyg s ARG 136 N -3.53 4.32 0.15 0.04 0.52 -1.26 -4.64 118.95 114.54 3kyg s ARG 136 Ca -0.02 1.92 0.26 0.00 -0.52 0.00 0.00 55.73 57.37 3kyg s ARG 136 Cb 0.12 -3.47 0.94 0.00 0.52 0.00 0.00 34.95 33.06 3kyg s ARG 136 CO 0.79 -0.48 1.81 0.36 0.02 0.00 0.00 175.30 177.80 3kyg n LYS 137 N 4.82 0.18 -3.70 3.54 2.85 -1.26 -4.65 118.16 119.93 3kyg n LYS 137 Ca 0.12 0.17 -0.10 0.00 -1.05 0.00 0.00 58.31 57.45 3kyg n LYS 137 Cb 0.44 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 3kyg n LYS 137 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3kyg s GLU 138 N -3.08 1.41 0.62 -1.58 -1.05 -1.26 -5.02 118.70 108.74 3kyg s GLU 138 Ca 0.11 -0.82 -0.12 0.00 -0.15 0.00 0.00 54.97 53.99 3kyg s GLU 138 Cb 0.14 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.34 3kyg s GLU 138 CO 0.56 -0.61 1.03 -1.25 0.95 0.00 0.00 175.26 175.94 3kyg s PRO 139 N -3.86 3.43 -0.09 -4.83 0.04 -1.26 -5.05 135.00 123.38 3kyg s PRO 139 Ca 0.08 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.04 3kyg s PRO 139 Cb -0.02 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kyg s PRO 139 CO -0.03 -0.70 -0.23 1.03 0.04 0.00 0.00 177.00 177.11 3kyg s ARG 140 N -4.89 2.97 -0.22 4.56 0.52 -1.26 -4.55 118.95 116.09 3kyg s ARG 140 Ca 0.57 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 3kyg s ARG 140 Cb -0.12 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 3kyg s ARG 140 CO 0.50 0.23 0.21 -0.06 0.02 0.00 0.00 175.30 176.20 3kyg s PHE 141 N 0.22 3.35 0.55 -0.53 0.08 0.47 -4.81 117.98 117.32 3kyg s PHE 141 Ca -0.15 0.34 -0.19 0.00 0.12 0.00 0.00 56.93 57.05 3kyg s PHE 141 Cb -0.17 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 39.92 3kyg s PHE 141 CO 0.07 0.09 1.13 -1.21 -0.10 0.00 0.00 175.22 175.21 3kyg s GLU 142 N 0.97 3.31 -0.06 0.44 0.41 -1.26 -0.13 118.70 122.38 3kyg s GLU 142 Ca 0.10 1.60 -0.31 0.00 -0.41 0.00 0.00 54.97 55.95 3kyg s GLU 142 Cb -0.13 -2.00 0.13 0.00 -1.78 0.00 0.00 34.13 30.34 3kyg s GLU 142 CO 0.04 -0.88 1.36 -0.48 -0.49 0.00 0.00 175.26 174.81 3kyg s LEU 143 N -3.88 -0.02 -0.43 1.80 0.05 -0.32 -2.22 118.68 113.66 3kyg s LEU 143 Ca 0.72 -0.08 0.03 0.00 0.05 0.00 0.00 54.13 54.86 3kyg s LEU 143 Cb -0.24 1.19 0.16 0.00 -2.05 0.00 0.00 46.19 45.26 3kyg s LEU 143 CO 0.28 -0.16 0.32 0.20 -0.55 0.00 0.00 176.35 176.45 3kyg s ASN 144 N -3.17 2.16 -0.24 1.48 0.01 -1.24 -3.87 114.94 110.07 3kyg s ASN 144 Ca 0.18 -2.95 -0.02 0.00 -0.71 0.00 0.00 52.86 49.36 3kyg s ASN 144 Cb 0.05 -0.57 0.02 0.00 0.41 0.00 0.00 41.25 41.15 3kyg s ASN 144 CO -0.05 -0.19 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.52 3kyg s LEU 145 N 0.13 3.05 0.64 0.60 1.43 -0.79 -4.91 118.68 118.83 3kyg s LEU 145 Ca 0.28 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 3kyg s LEU 145 Cb -0.04 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3kyg s LEU 145 CO -0.14 -0.10 1.18 0.00 0.23 0.00 0.00 176.35 177.52 3kyg s ALA 146 N 1.35 2.41 0.00 4.21 0.00 -1.26 -0.56 121.76 127.91 3kyg s ALA 146 Ca 0.02 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3kyg s ALA 146 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3kyg s ALA 146 CO -0.05 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.75 3kyg n GLY 147 N 0.25 1.00 3.27 0.00 0.00 -0.82 -1.95 105.19 106.94 3kyg n GLY 147 Ca 0.13 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 3kyg n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyg s LYS 148 N -0.68 1.08 -0.23 1.61 -0.14 0.12 -2.18 119.74 119.31 3kyg s LYS 148 Ca 0.00 -1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 53.44 3kyg s LYS 148 Cb 0.00 -1.32 0.00 0.00 -1.68 0.00 0.00 37.83 34.83 3kyg s LYS 148 CO 0.00 0.30 -0.04 0.54 -0.76 0.00 0.00 175.35 175.40 3kyg s VAL 149 N -1.17 3.32 -0.15 3.17 0.11 0.25 -0.24 120.40 125.68 3kyg s VAL 149 Ca 0.05 -0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 58.33 3kyg s VAL 149 Cb -0.10 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 3kyg s VAL 149 CO 0.04 0.35 0.35 -0.22 -3.33 0.00 0.00 175.10 172.28 3kyg s LEU 150 N 1.45 4.25 -0.23 2.54 1.98 0.83 -1.58 118.68 127.91 3kyg s LEU 150 Ca 0.04 0.59 -0.11 0.00 -2.89 0.00 0.00 54.13 51.76 3kyg s LEU 150 Cb -0.15 -2.46 0.08 0.00 0.66 0.00 0.00 46.19 44.32 3kyg s LEU 150 CO -0.03 0.06 0.55 0.12 -1.89 0.00 0.00 176.35 175.16 3kyg s PHE 151 N 0.55 -0.93 -1.48 5.38 5.99 -0.29 -1.38 117.98 125.82 3kyg s PHE 151 Ca 0.19 1.80 -0.12 0.00 0.00 0.00 0.00 56.93 58.80 3kyg s PHE 151 Cb -0.14 0.49 0.07 0.00 0.00 0.00 0.00 43.02 43.45 3kyg s PHE 151 CO 0.06 -0.49 0.85 -3.47 -0.00 0.00 0.00 175.22 172.16 3kyg n ASP 152 N 4.71 -4.85 0.00 6.13 2.03 -1.26 -1.17 116.55 122.14 3kyg n ASP 152 Ca -0.17 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.51 3kyg n ASP 152 Cb 0.54 -3.90 0.00 0.00 -0.72 0.00 0.00 41.12 37.04 3kyg n ASP 152 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kyg n GLU 153 N -4.42 -0.10 -4.92 -0.67 1.02 -1.26 -5.02 120.64 105.26 3kyg n GLU 153 Ca 0.01 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 3kyg n GLU 153 Cb 0.54 -2.96 -0.14 0.00 -0.02 0.00 0.00 31.44 28.85 3kyg n GLU 153 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3kyg s HIS 154 N -2.94 2.38 -0.07 -0.32 3.76 -0.32 -5.13 115.29 112.65 3kyg s HIS 154 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3kyg s HIS 154 Cb 0.00 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 3kyg s HIS 154 CO 0.00 0.13 -0.06 1.03 -0.85 0.00 0.00 174.74 174.99 3kyg s ARG 155 N -1.16 2.80 0.28 1.40 0.52 -1.26 -1.13 118.95 120.39 3kyg s ARG 155 Ca 0.12 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3kyg s ARG 155 Cb -0.10 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.69 3kyg s ARG 155 CO 0.02 0.66 0.05 0.20 0.02 0.00 0.00 175.30 176.25 3kyg s GLY 156 N -0.78 1.84 0.35 -3.53 0.00 -0.61 -4.93 107.32 99.65 3kyg s GLY 156 Ca 0.12 -1.93 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 3kyg s GLY 156 CO 0.02 -1.72 0.77 0.99 0.00 0.00 0.00 173.10 173.16 3kyg s ASP 157 N -3.39 6.75 0.22 1.64 1.01 -1.26 -0.59 116.67 121.05 3kyg s ASP 157 Ca 0.34 1.31 -0.15 0.00 0.71 0.00 0.00 52.55 54.76 3kyg s ASP 157 Cb 0.08 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.63 3kyg s ASP 157 CO 0.13 -0.26 0.49 0.00 0.21 0.00 0.00 175.17 175.74 3kyg s GLU 159 N -3.94 0.13 0.18 0.00 2.12 0.10 -1.95 118.70 115.33 3kyg s GLU 159 Ca 0.15 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 3kyg s GLU 159 Cb -0.01 -0.63 -0.09 0.00 0.26 0.00 0.00 34.13 33.67 3kyg s GLU 159 CO 0.03 -0.31 1.33 -1.17 -0.54 0.00 0.00 175.26 174.60 3kyg s LEU 160 N 2.04 4.40 -0.07 2.70 2.96 0.27 -1.71 118.68 129.28 3kyg s LEU 160 Ca 0.04 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.40 3kyg s LEU 160 Cb -0.12 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3kyg s LEU 160 CO -0.04 -0.57 0.01 0.54 -1.32 0.00 0.00 176.35 174.98 3kyg n ARG 161 N 2.89 2.57 -3.74 1.98 5.12 0.15 -1.89 116.66 123.72 3kyg n ARG 161 Ca 0.07 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 3kyg n ARG 161 Cb 0.42 -1.17 -0.07 0.00 -1.16 0.00 0.00 32.46 30.49 3kyg n ARG 161 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3kyg s ASP 162 N -3.93 -0.14 -0.05 0.55 3.84 -1.11 -1.18 116.67 114.65 3kyg s ASP 162 Ca -0.04 -0.18 -0.03 0.00 -0.00 0.00 0.00 52.55 52.31 3kyg s ASP 162 Cb 0.02 0.37 0.03 0.00 -1.38 0.00 0.00 42.92 41.95 3kyg s ASP 162 CO 0.25 -0.62 0.11 -0.22 -0.00 0.00 0.00 175.17 174.69 3kyg s LEU 163 N -2.07 1.12 0.44 2.11 2.96 0.81 -1.24 118.68 122.81 3kyg s LEU 163 Ca -0.05 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3kyg s LEU 163 Cb -0.01 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.94 3kyg s LEU 163 CO -0.03 -0.10 0.09 -0.94 -1.32 0.00 0.00 176.35 174.05 3kyg s SER 164 N 0.74 3.18 0.50 3.68 1.04 0.31 -0.39 113.70 122.76 3kyg s SER 164 Ca -0.06 -1.66 0.28 0.00 0.48 0.00 0.00 55.95 54.99 3kyg s SER 164 Cb -0.08 0.49 1.24 0.00 0.10 0.00 0.00 66.02 67.77 3kyg s SER 164 CO -0.03 -0.90 1.96 0.03 0.98 0.00 0.00 173.24 175.27 3kyg h ARG 165 N 1.67 0.00 -0.00 4.02 3.08 -1.96 -3.26 114.38 117.92 3kyg h ARG 165 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3kyg h ARG 165 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3kyg h ARG 165 CO 0.62 0.14 -0.39 0.43 -1.07 0.00 0.00 179.97 179.71 3kyg n SER 166 N -3.40 0.78 -0.89 7.04 7.64 -1.26 -4.65 113.62 118.88 3kyg n SER 166 Ca -0.01 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.98 3kyg n SER 166 Cb 0.33 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 3kyg n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kyg n GLY 167 N 1.12 1.33 3.85 0.23 0.00 -1.23 -0.87 105.19 109.63 3kyg n GLY 167 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 3kyg n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyg s ARG 169 N -3.88 2.54 0.04 0.00 3.52 -0.37 -0.83 118.95 119.97 3kyg s ARG 169 Ca 0.11 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 54.88 3kyg s ARG 169 Cb -0.06 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 3kyg s ARG 169 CO 0.07 0.26 0.01 -0.59 -0.81 0.00 0.00 175.30 174.23 3kyg s PHE 170 N 0.12 0.33 0.19 5.12 -0.12 -0.39 0.29 117.98 123.52 3kyg s PHE 170 Ca -0.10 -0.70 0.09 0.00 -0.05 0.00 0.00 56.93 56.17 3kyg s PHE 170 Cb -0.15 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3kyg s PHE 170 CO 0.05 -0.31 -0.18 0.96 -0.05 0.00 0.00 175.22 175.70 3kyg s ILE 171 N -2.63 1.90 0.21 -4.49 -4.36 -0.69 0.01 121.20 111.15 3kyg s ILE 171 Ca -0.05 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 3kyg s ILE 171 Cb -0.01 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 3kyg s ILE 171 CO -0.05 -0.39 0.06 0.42 0.24 0.00 0.00 174.94 175.22 3kyg s THR 172 N -2.34 0.51 0.22 8.37 -4.23 -0.79 -0.72 115.64 116.65 3kyg s THR 172 Ca 0.20 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 3kyg s THR 172 Cb -0.04 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 3kyg s THR 172 CO 0.08 -0.21 1.47 -2.84 -0.54 0.00 0.00 174.62 172.58 3kyg s PRO 173 N -4.00 4.26 0.67 3.99 0.02 -1.26 -4.27 135.00 134.41 3kyg s PRO 173 Ca 0.32 2.30 0.40 0.00 0.02 0.00 0.00 61.00 64.04 3kyg s PRO 173 Cb 0.07 -3.13 2.17 0.00 0.02 0.00 0.00 34.50 33.63 3kyg s PRO 173 CO 0.09 -0.47 2.22 -1.00 -0.33 0.00 0.00 177.00 177.52 3kyg h PRO 174 N 5.58 0.00 -0.01 5.54 0.13 -1.85 -1.83 132.00 139.56 3kyg h PRO 174 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kyg h PRO 174 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kyg h PRO 174 CO 0.82 0.00 -0.23 1.28 -0.23 0.00 0.00 178.00 179.64 3kyg n LEU 175 N -3.01 1.67 0.00 1.56 4.77 -1.26 -4.93 117.00 115.79 3kyg n LEU 175 Ca -0.03 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3kyg n LEU 175 Cb 0.18 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3kyg n LEU 175 CO 0.18 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3kyg n GLY 176 N 1.33 -1.31 3.75 -0.72 0.00 -0.69 -4.97 105.19 102.58 3kyg n GLY 176 Ca 0.13 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3kyg n GLY 176 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kyg n LYS 177 N -0.99 2.43 -4.21 1.61 3.00 -1.26 -5.01 118.16 113.73 3kyg n LYS 177 Ca 0.00 0.86 -0.23 0.00 -0.00 0.00 0.00 58.31 58.93 3kyg n LYS 177 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 35.03 32.40 3kyg n LYS 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kyg s THR 178 N -1.13 3.87 0.25 3.15 -4.23 -1.26 -5.00 115.64 111.29 3kyg s THR 178 Ca 0.56 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.54 3kyg s THR 178 Cb -0.49 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.24 3kyg s THR 178 CO 0.62 -0.32 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.88 3kyg s TYR 179 N -2.15 2.13 0.21 3.99 2.02 -1.26 -5.15 117.35 117.14 3kyg s TYR 179 Ca 0.31 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.71 3kyg s TYR 179 Cb -0.07 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 3kyg s TYR 179 CO 0.22 0.60 -0.07 -1.14 -1.57 0.00 0.00 175.55 173.59 3kyg s GLN 180 N -3.45 2.12 0.23 -0.62 0.74 -1.26 -5.05 119.66 112.38 3kyg s GLN 180 Ca 0.27 -1.34 -0.32 0.00 0.05 0.00 0.00 55.36 54.02 3kyg s GLN 180 Cb -0.04 -2.14 -0.13 0.00 1.10 0.00 0.00 33.01 31.79 3kyg s GLN 180 CO 0.12 0.41 1.51 0.28 -0.55 0.00 0.00 175.29 177.06 3kyg n VAL 181 N -0.30 0.65 0.00 1.34 0.31 -1.26 -1.41 118.33 117.65 3kyg n VAL 181 Ca -0.09 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3kyg n VAL 181 Cb 0.57 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3kyg n VAL 181 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kyg n GLY 182 N 2.62 3.29 3.74 2.92 0.00 0.66 -4.95 105.19 113.48 3kyg n GLY 182 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kyg n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kyg n ASP 183 N 0.04 3.06 -4.56 1.61 8.00 -0.50 -4.49 116.55 119.70 3kyg n ASP 183 Ca 0.00 1.13 -0.40 0.00 0.71 0.00 0.00 54.79 56.23 3kyg n ASP 183 Cb 0.00 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.45 3kyg n ASP 183 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kyg s LEU 184 N -2.15 4.31 0.36 0.64 2.96 -1.26 -0.75 118.68 122.79 3kyg s LEU 184 Ca 0.60 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 3kyg s LEU 184 Cb -0.48 -2.37 -0.07 0.00 0.50 0.00 0.00 46.19 43.77 3kyg s LEU 184 CO 0.59 -0.30 0.04 0.68 -1.32 0.00 0.00 176.35 176.04 3kyg s VAL 185 N 2.05 1.52 -0.06 1.68 -7.23 -0.44 -4.74 120.40 113.18 3kyg s VAL 185 Ca 0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3kyg s VAL 185 Cb -0.16 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.94 3kyg s VAL 185 CO 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.87 3kyg s ALA 186 N -3.04 0.76 -0.24 1.32 0.00 -0.48 -2.18 121.76 117.90 3kyg s ALA 186 Ca 0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 3kyg s ALA 186 Cb 0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3kyg s ALA 186 CO 0.16 -0.19 0.24 -0.51 0.00 0.00 0.00 175.76 175.46 3kyg s LEU 187 N 1.33 4.10 -0.45 0.00 1.43 0.09 -0.12 118.68 125.06 3kyg s LEU 187 Ca -0.04 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 3kyg s LEU 187 Cb -0.14 -2.23 0.10 0.00 0.03 0.00 0.00 46.19 43.96 3kyg s LEU 187 CO -0.02 -0.01 0.32 -1.61 0.23 0.00 0.00 176.35 175.26 3kyg s GLU 188 N 1.32 2.57 -0.20 1.70 2.02 0.67 -0.81 118.70 125.96 3kyg s GLU 188 Ca 0.11 -1.63 -0.15 0.00 0.02 0.00 0.00 54.97 53.32 3kyg s GLU 188 Cb -0.14 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 3kyg s GLU 188 CO 0.07 -1.10 0.38 0.42 0.02 0.00 0.00 175.26 175.05 3kyg s ILE 189 N 1.41 5.21 0.00 -1.63 -1.09 -1.26 0.13 121.20 123.97 3kyg s ILE 189 Ca 0.04 0.67 -0.34 0.00 -2.23 0.00 0.00 60.65 58.79 3kyg s ILE 189 Cb -0.25 -3.71 -0.13 0.00 -1.58 0.00 0.00 42.46 36.79 3kyg s ILE 189 CO 0.01 0.26 1.75 0.49 -1.23 0.00 0.00 174.94 176.22 3kyg n PHE 190 N 4.44 2.28 0.08 3.97 3.72 -0.82 -0.63 117.46 130.50 3kyg n PHE 190 Ca -0.09 0.12 -0.03 0.00 -0.05 0.00 0.00 57.45 57.41 3kyg n PHE 190 Cb 0.51 -2.61 -0.06 0.00 -0.94 0.00 0.00 39.48 36.39 3kyg n PHE 190 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kyg h SER 191 N 7.82 0.00 -2.14 4.37 4.64 -1.45 -3.45 113.55 123.34 3kyg h SER 191 Ca -0.47 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 3kyg h SER 191 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 3kyg h SER 191 CO 0.92 0.75 -0.71 1.51 -0.87 0.00 0.00 176.83 178.44 3kyg s ASP 192 N -6.47 3.91 0.00 4.97 3.84 -1.26 -4.79 116.67 116.87 3kyg s ASP 192 Ca 0.01 -0.95 0.00 0.00 -0.00 0.00 0.00 52.55 51.61 3kyg s ASP 192 Cb 0.09 -0.46 0.00 0.00 -1.38 0.00 0.00 42.92 41.16 3kyg s ASP 192 CO 0.79 -0.03 0.79 0.00 -0.00 0.00 0.00 175.17 176.72 3kyg n LEU 193 N -0.75 0.12 -0.67 2.11 -0.00 -1.26 -2.93 117.00 113.63 3kyg n LEU 193 Ca -0.05 -0.06 0.07 0.00 -0.00 0.00 0.00 56.01 55.96 3kyg n LEU 193 Cb 0.60 -0.06 0.13 0.00 -0.00 0.00 0.00 43.42 44.09 3kyg n LEU 193 CO 0.40 0.03 0.57 -1.14 -0.00 0.00 0.00 177.39 177.25 3kyg n ARG 194 N -0.42 2.02 0.00 1.47 0.63 -1.26 -5.04 116.66 114.05 3kyg n ARG 194 Ca 0.00 -1.80 0.00 0.00 -0.92 0.00 0.00 57.85 55.13 3kyg n ARG 194 Cb 0.03 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.65 3kyg n ARG 194 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kyg n GLY 195 N 0.73 1.77 4.27 5.14 0.00 -1.15 -4.86 105.19 111.09 3kyg n GLY 195 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kyg n GLY 195 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kyg n THR 196 N 0.00 0.00 -3.08 2.61 -2.24 -1.26 -4.46 114.28 105.85 3kyg n THR 196 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3kyg n THR 196 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3kyg n THR 196 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3kyg s LYS 197 N 0.00 3.70 0.02 -0.78 -2.85 -1.26 -5.03 119.74 113.53 3kyg s LYS 197 Ca 0.00 0.23 0.02 0.00 -1.00 0.00 0.00 55.97 55.21 3kyg s LYS 197 Cb 0.00 -2.51 -0.01 0.00 -2.06 0.00 0.00 37.83 33.24 3kyg s LYS 197 CO 0.00 0.08 -0.06 0.95 0.10 0.00 0.00 175.35 176.42 3kyg s THR 198 N -2.25 0.41 0.78 3.79 -4.23 -1.26 -1.33 115.64 111.55 3kyg s THR 198 Ca 0.47 -0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 3kyg s THR 198 Cb -0.10 -0.42 0.07 0.00 1.34 0.00 0.00 72.50 73.38 3kyg s THR 198 CO 0.31 -0.14 1.17 -0.36 -0.54 0.00 0.00 174.62 175.06 3kyg s PHE 199 N -0.72 2.02 0.18 3.99 0.08 0.19 -4.79 117.98 118.93 3kyg s PHE 199 Ca -0.04 1.65 -0.33 0.00 0.12 0.00 0.00 56.93 58.33 3kyg s PHE 199 Cb -0.06 -3.37 -0.15 0.00 -0.57 0.00 0.00 43.02 38.88 3kyg s PHE 199 CO 0.00 -2.52 1.34 -2.30 -0.10 0.00 0.00 175.22 171.64 3kyg n PRO 200 N -3.23 1.61 -1.53 0.24 -0.02 -1.26 -4.39 135.00 126.42 3kyg n PRO 200 Ca 0.12 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3kyg n PRO 200 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3kyg n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kyg n PRO 201 N 2.20 0.92 -3.39 0.52 -0.04 -1.26 -4.86 135.00 129.09 3kyg n PRO 201 Ca 0.15 0.33 -0.44 0.00 -0.04 0.00 0.00 63.50 63.49 3kyg n PRO 201 Cb 0.27 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 3kyg n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kyg s LEU 202 N 0.81 5.83 -0.05 1.53 1.43 0.00 -4.68 118.68 123.55 3kyg s LEU 202 Ca 0.63 -1.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 3kyg s LEU 202 Cb -0.62 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3kyg s LEU 202 CO 0.58 -0.73 0.18 0.42 0.23 0.00 0.00 176.35 177.02 3kyg s THR 203 N 1.57 5.44 -1.02 5.49 -4.23 -1.26 -0.73 115.64 120.91 3kyg s THR 203 Ca 0.04 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3kyg s THR 203 Cb -0.27 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.08 3kyg s THR 203 CO 0.04 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 3kyg n GLY 204 N 1.36 -1.38 3.64 3.99 0.00 -0.93 -2.02 105.19 109.86 3kyg n GLY 204 Ca -0.14 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 3kyg n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyg s LYS 205 N -1.28 2.58 -0.04 1.61 1.02 -0.55 -1.33 119.74 121.74 3kyg s LYS 205 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 3kyg s LYS 205 Cb 0.00 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3kyg s LYS 205 CO 0.00 0.59 1.73 0.42 -0.92 0.00 0.00 175.35 177.17 3kyg s ILE 206 N -1.11 3.45 -0.18 2.17 -1.09 0.07 -1.29 121.20 123.22 3kyg s ILE 206 Ca 0.20 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.14 3kyg s ILE 206 Cb -0.11 -3.36 -0.22 0.00 -1.58 0.00 0.00 42.46 37.18 3kyg s ILE 206 CO 0.11 -0.06 0.11 0.00 -1.23 0.00 0.00 174.94 173.88 3kyg s ASN 208 N -6.78 -0.06 0.00 0.00 2.20 -0.89 -4.87 114.94 104.54 3kyg s ASN 208 Ca -0.27 -0.59 -0.20 0.00 -0.94 0.00 0.00 52.86 50.86 3kyg s ASN 208 Cb 0.08 0.44 0.04 0.00 -2.00 0.00 0.00 41.25 39.80 3kyg s ASN 208 CO 0.70 -0.86 0.44 -1.48 -2.94 0.00 0.00 177.10 172.96 3kyg s LEU 209 N -2.88 0.31 -0.06 3.54 0.05 -1.26 -0.44 118.68 117.94 3kyg s LEU 209 Ca 0.08 0.20 -0.02 0.00 0.05 0.00 0.00 54.13 54.45 3kyg s LEU 209 Cb 0.03 1.76 0.03 0.00 -2.05 0.00 0.00 46.19 45.95 3kyg s LEU 209 CO -0.07 -0.57 0.03 -1.10 -0.55 0.00 0.00 176.35 174.08 3kyg s GLN 210 N -1.74 0.34 0.03 1.48 1.11 -0.35 -5.00 119.66 115.53 3kyg s GLN 210 Ca -0.10 0.20 -0.00 0.00 0.01 0.00 0.00 55.36 55.47 3kyg s GLN 210 Cb -0.02 -0.82 -0.03 0.00 -1.01 0.00 0.00 33.01 31.12 3kyg s GLN 210 CO 0.03 -0.32 -0.03 1.03 0.01 0.00 0.00 175.29 176.00 3kyg s ARG 211 N 2.05 0.43 0.08 2.91 0.52 -1.26 -0.80 118.95 122.87 3kyg s ARG 211 Ca 0.05 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3kyg s ARG 211 Cb -0.12 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.49 3kyg s ARG 211 CO -0.04 -0.07 0.15 -1.13 0.02 0.00 0.00 175.30 174.22 3kyg n SER 212 N 1.05 -0.42 0.16 0.23 3.41 0.28 -4.96 113.62 113.37 3kyg n SER 212 Ca -0.20 -1.37 0.13 0.00 -0.26 0.00 0.00 58.87 57.17 3kyg n SER 212 Cb 0.57 0.72 0.41 0.00 -0.26 0.00 0.00 64.21 65.65 3kyg n SER 212 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kyg h LEU 213 N 0.00 0.00 0.00 1.04 3.38 -2.01 -3.27 115.31 114.45 3kyg h LEU 213 Ca -0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 3kyg h LEU 213 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3kyg h LEU 213 CO 0.09 0.00 -2.02 1.41 0.09 0.00 0.00 178.44 178.01 3kyg n HIS 214 N -2.53 0.33 -4.03 1.13 8.25 -1.26 -4.70 115.22 112.41 3kyg n HIS 214 Ca 0.04 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 3kyg n HIS 214 Cb 0.39 -0.94 -0.10 0.00 1.12 0.00 0.00 29.99 30.46 3kyg n HIS 214 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kyg s HIS 215 N -2.81 0.40 -0.27 4.41 3.76 -1.23 -4.67 115.29 114.88 3kyg s HIS 215 Ca -0.07 -0.86 -0.00 0.00 -0.15 0.00 0.00 55.06 53.97 3kyg s HIS 215 Cb 0.08 -0.29 0.14 0.00 1.11 0.00 0.00 32.58 33.62 3kyg s HIS 215 CO 0.84 -0.37 0.35 0.00 -0.85 0.00 0.00 174.74 174.71 3kyg s ALA 216 N -3.36 -0.86 0.08 -1.40 0.00 -1.26 -0.56 121.76 114.39 3kyg s ALA 216 Ca 0.02 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.30 3kyg s ALA 216 Cb 0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3kyg s ALA 216 CO -0.08 -1.57 -0.26 1.03 0.00 0.00 0.00 175.76 174.88 3kyg s ARG 217 N 2.47 1.58 0.01 0.00 0.52 0.02 -1.88 118.95 121.66 3kyg s ARG 217 Ca 0.10 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.14 3kyg s ARG 217 Cb -0.14 -1.87 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 3kyg s ARG 217 CO -0.26 0.47 -0.03 0.71 0.02 0.00 0.00 175.30 176.21 3kyg s TYR 218 N -0.91 0.27 -0.18 -0.53 2.02 0.10 -1.21 117.35 116.91 3kyg s TYR 218 Ca 0.12 -0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 56.59 3kyg s TYR 218 Cb -0.10 -0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 3kyg s TYR 218 CO 0.03 -0.05 -0.01 0.20 -1.57 0.00 0.00 175.55 174.16 3kyg s GLY 219 N -0.49 1.73 -0.00 0.71 0.00 0.41 -1.26 107.32 108.42 3kyg s GLY 219 Ca -0.03 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3kyg s GLY 219 CO -0.00 0.12 -0.20 -2.27 0.00 0.00 0.00 173.10 170.74 3kyg s LEU 220 N 0.73 2.45 -0.24 0.66 2.96 -0.01 -0.17 118.68 125.07 3kyg s LEU 220 Ca -0.00 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3kyg s LEU 220 Cb -0.14 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3kyg s LEU 220 CO 0.02 0.30 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.61 3kyg s GLU 221 N -0.96 3.05 0.84 1.98 2.12 -0.41 -2.14 118.70 123.16 3kyg s GLU 221 Ca 0.12 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 3kyg s GLU 221 Cb -0.10 -3.04 0.10 0.00 0.26 0.00 0.00 34.13 31.35 3kyg s GLU 221 CO 0.02 -0.34 1.12 -0.06 -0.54 0.00 0.00 175.26 175.46 3kyg s PHE 222 N 1.40 2.13 0.35 5.30 0.08 -0.04 -1.49 117.98 125.70 3kyg s PHE 222 Ca 0.02 1.67 0.05 0.00 0.12 0.00 0.00 56.93 58.79 3kyg s PHE 222 Cb -0.16 -3.19 0.05 0.00 -0.57 0.00 0.00 43.02 39.15 3kyg s PHE 222 CO -0.03 -2.28 0.43 0.27 -0.10 0.00 0.00 175.22 173.50 3kyg n ASN 223 N -3.83 1.48 -0.03 1.36 0.23 -0.86 -4.84 115.26 108.78 3kyg n ASN 223 Ca 0.10 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.58 52.07 3kyg n ASN 223 Cb 0.52 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 38.00 3kyg n ASN 223 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3kyg h GLU 224 N 0.00 -0.28 -0.77 -3.83 4.57 -1.97 -0.56 114.58 111.73 3kyg h GLU 224 Ca -0.18 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3kyg h GLU 224 Cb 0.76 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.37 3kyg h GLU 224 CO 0.26 -0.19 0.48 1.49 -1.18 0.00 0.00 179.01 179.88 3kyg h GLU 225 N -0.29 0.91 -0.98 1.92 4.81 -1.95 -1.49 114.58 117.51 3kyg h GLU 225 Ca 0.12 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3kyg h GLU 225 Cb 0.49 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3kyg h GLU 225 CO -0.38 0.60 0.65 0.78 -0.73 0.00 0.00 179.01 179.93 3kyg h GLY 226 N 0.94 1.38 1.00 1.92 0.00 -1.44 -0.32 103.07 106.54 3kyg h GLY 226 Ca 0.31 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3kyg h GLY 226 CO -0.12 0.48 0.24 3.21 0.00 0.00 0.00 176.54 180.36 3kyg h ARG 227 N 1.31 0.90 -0.25 4.80 3.08 -0.37 0.18 114.38 124.03 3kyg h ARG 227 Ca 0.36 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3kyg h ARG 227 Cb -0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 3kyg h ARG 227 CO -0.09 0.77 0.08 -0.91 -1.07 0.00 0.00 179.97 178.75 3kyg h ASN 228 N 0.84 0.08 0.75 7.04 -0.26 -0.38 -1.39 115.58 122.26 3kyg h ASN 228 Ca 0.20 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 3kyg h ASN 228 Cb 0.20 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3kyg h ASN 228 CO -0.02 0.08 -0.40 0.78 -1.06 0.00 0.00 177.43 176.81 3kyg h ASN 229 N 0.19 0.00 -0.11 5.81 2.35 -0.78 -2.06 115.58 120.98 3kyg h ASN 229 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3kyg h ASN 229 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kyg h ASN 229 CO -0.12 0.40 0.02 0.00 -1.65 0.00 0.00 177.43 176.08 3kyg h ALA 230 N 1.60 0.14 -0.57 -0.83 0.00 -0.16 0.27 119.26 119.71 3kyg h ALA 230 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kyg h ALA 230 Cb 0.88 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3kyg h ALA 230 CO 0.05 -0.21 0.32 -0.22 0.00 0.00 0.00 179.25 179.20 3kyg h LYS 231 N -0.05 0.60 -0.18 0.00 3.64 -1.12 0.36 116.57 119.82 3kyg h LYS 231 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kyg h LYS 231 Cb 0.29 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3kyg h LYS 231 CO 0.00 0.40 0.12 -0.97 -2.27 0.00 0.00 179.45 176.72 3kyg h ASN 232 N 0.62 0.21 0.40 4.20 -1.24 -1.12 -1.33 115.58 117.32 3kyg h ASN 232 Ca 0.25 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 3kyg h ASN 232 Cb 0.11 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.11 3kyg h ASN 232 CO -0.14 0.18 -0.19 0.25 -1.29 0.00 0.00 177.43 176.23 3kyg h LEU 233 N 0.23 -0.45 -0.85 0.34 6.46 0.18 -2.73 115.31 118.49 3kyg h LEU 233 Ca 0.07 -0.04 0.21 0.00 -0.12 0.00 0.00 57.88 57.99 3kyg h LEU 233 Cb -0.00 0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 39.92 3kyg h LEU 233 CO -0.01 -0.24 0.30 -0.07 -0.62 0.00 0.00 178.44 177.80 3kyg h LEU 234 N -0.64 0.17 -1.71 2.25 3.38 -0.21 0.12 115.31 118.67 3kyg h LEU 234 Ca -0.05 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3kyg h LEU 234 Cb 0.47 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kyg h LEU 234 CO 0.09 -0.05 -0.17 0.00 0.09 0.00 0.00 178.44 178.40 3kyg h ALA 235 N 1.70 1.56 -0.20 1.53 0.00 -1.00 -2.16 119.26 120.69 3kyg h ALA 235 Ca 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kyg h ALA 235 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kyg h ALA 235 CO -0.56 0.22 0.00 1.04 0.00 0.00 0.00 179.25 179.95 3kyg n GLN 236 N -4.11 1.62 -4.03 0.00 6.02 0.41 -4.87 117.38 112.42 3kyg n GLN 236 Ca -0.02 -0.95 -0.31 0.00 -0.01 0.00 0.00 57.00 55.70 3kyg n GLN 236 Cb 0.25 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 3kyg n GLN 236 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kyg s LEU 237 N -1.33 3.96 -0.06 1.08 1.43 -0.81 -4.35 118.68 118.61 3kyg s LEU 237 Ca 0.26 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3kyg s LEU 237 Cb 0.14 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3kyg s LEU 237 CO 0.20 0.20 0.00 -1.59 0.23 0.00 0.00 176.35 175.39 3kyg s LYS 238 N -2.23 2.91 0.38 1.70 -2.85 -0.86 -4.92 119.74 113.87 3kyg s LYS 238 Ca 0.29 -0.48 -0.16 0.00 -1.00 0.00 0.00 55.97 54.62 3kyg s LYS 238 Cb -0.12 -2.75 -0.09 0.00 -2.06 0.00 0.00 37.83 32.81 3kyg s LYS 238 CO 0.21 0.68 0.81 0.12 0.10 0.00 0.00 175.35 177.27 3kyg s PHE 239 N -0.96 3.38 -0.24 1.78 2.19 -1.26 -0.95 117.98 121.91 3kyg s PHE 239 Ca 0.16 1.31 0.16 0.00 0.33 0.00 0.00 56.93 58.89 3kyg s PHE 239 Cb -0.11 -2.62 0.47 0.00 -1.31 0.00 0.00 43.02 39.45 3kyg s PHE 239 CO 0.05 -0.02 1.16 0.27 1.83 0.00 0.00 175.22 178.51 3kyg n ASN 240 N -0.66 2.80 0.00 6.13 2.04 -0.39 -4.90 115.26 120.28 3kyg n ASN 240 Ca 0.04 -2.86 0.00 0.00 -0.44 0.00 0.00 54.58 51.33 3kyg n ASN 240 Cb 0.54 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 3kyg n ASN 240 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kyg n GLY 241 N -0.58 2.13 0.08 4.83 0.00 -1.26 -4.43 105.19 105.96 3kyg n GLY 241 Ca 0.22 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3kyg n GLY 241 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kyg n THR 242 N 0.00 1.00 -4.47 2.61 -2.24 -1.26 -5.06 114.28 104.87 3kyg n THR 242 Ca 0.00 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3kyg n THR 242 Cb 0.00 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.30 3kyg n THR 242 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kyg s LYS 243 N -2.35 1.74 0.21 -0.78 1.02 -1.26 -4.73 119.74 113.59 3kyg s LYS 243 Ca -0.14 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 53.85 3kyg s LYS 243 Cb 0.05 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 3kyg s LYS 243 CO 0.52 -0.30 0.39 -0.51 -0.92 0.00 0.00 175.35 174.53 3kyg s LEU 244 N -3.52 4.23 0.12 3.17 1.43 -0.94 -1.26 118.68 121.91 3kyg s LEU 244 Ca 0.32 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3kyg s LEU 244 Cb 0.06 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 3kyg s LEU 244 CO 0.15 -0.06 0.21 0.42 0.23 0.00 0.00 176.35 177.30 3kyg s THR 245 N -1.90 0.11 1.05 5.49 -4.23 -0.13 -4.55 115.64 111.49 3kyg s THR 245 Ca 0.38 -1.34 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 3kyg s THR 245 Cb -0.11 -1.60 0.22 0.00 1.34 0.00 0.00 72.50 72.36 3kyg s THR 245 CO 0.30 -0.51 1.07 -0.76 -0.54 0.00 0.00 174.62 174.18 3kyg s LEU 246 N -2.92 1.65 0.00 4.79 1.43 -1.26 -2.03 118.68 120.34 3kyg s LEU 246 Ca 0.11 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3kyg s LEU 246 Cb 0.05 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3kyg s LEU 246 CO -0.06 -3.68 0.00 -3.20 0.23 0.00 0.00 176.35 169.65