#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 4.19 -0.11 -1.46 -0.14 -1.26 -4.55 119.74 116.41 3kyg s LYS 22 Ca 0.00 -0.16 -0.05 0.00 -1.36 0.00 0.00 55.97 54.40 3kyg s LYS 22 Cb 0.00 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3kyg s LYS 22 CO 0.00 0.25 0.08 0.99 -0.76 0.00 0.00 175.35 175.92 3kyg s THR 23 N 0.48 5.02 -0.11 2.17 2.01 0.11 -4.87 115.64 120.46 3kyg s THR 23 Ca 0.10 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 3kyg s THR 23 Cb -0.12 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 3kyg s THR 23 CO 0.00 0.61 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 3kyg s VAL 24 N -0.95 3.84 0.19 3.82 1.01 -1.26 -1.74 120.40 125.33 3kyg s VAL 24 Ca 0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3kyg s VAL 24 Cb -0.12 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3kyg s VAL 24 CO 0.03 0.55 0.26 -0.94 0.00 0.00 0.00 175.10 175.00 3kyg s SER 25 N -0.31 0.07 -0.23 3.32 1.04 -0.73 -4.98 113.70 111.88 3kyg s SER 25 Ca 0.05 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 3kyg s SER 25 Cb -0.13 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3kyg s SER 25 CO 0.02 -0.92 0.07 -0.89 0.98 0.00 0.00 173.24 172.50 3kyg s THR 26 N -4.06 4.46 0.17 2.02 2.01 -1.26 -0.85 115.64 118.14 3kyg s THR 26 Ca 0.27 -0.13 0.11 0.00 0.31 0.00 0.00 61.69 62.25 3kyg s THR 26 Cb 0.04 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3kyg s THR 26 CO 0.07 0.36 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.48 3kyg s ILE 27 N 1.34 2.28 0.52 1.82 -1.09 0.12 -4.92 121.20 121.26 3kyg s ILE 27 Ca 0.05 -1.95 -0.22 0.00 -2.23 0.00 0.00 60.65 56.30 3kyg s ILE 27 Cb -0.15 -2.06 -0.06 0.00 -1.58 0.00 0.00 42.46 38.61 3kyg s ILE 27 CO 0.04 -0.08 1.27 0.54 -1.23 0.00 0.00 174.94 175.48 3kyg s ASN 28 N -2.50 5.62 0.39 3.58 2.20 -1.26 0.01 114.94 122.97 3kyg s ASN 28 Ca 0.18 2.55 0.06 0.00 -0.94 0.00 0.00 52.86 54.72 3kyg s ASN 28 Cb -0.08 -2.62 0.79 0.00 -2.00 0.00 0.00 41.25 37.33 3kyg s ASN 28 CO 0.09 -1.31 2.02 0.28 -2.94 0.00 0.00 177.10 175.23 3kyg h SER 29 N 1.64 0.49 -0.31 3.54 0.02 -1.38 -1.91 113.55 115.65 3kyg h SER 29 Ca -0.50 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.44 3kyg h SER 29 Cb 1.28 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3kyg h SER 29 CO 0.58 0.40 0.15 0.74 -1.14 0.00 0.00 176.83 177.57 3kyg h THR 30 N 0.57 0.98 -0.31 -2.27 2.02 -1.91 -0.33 112.91 111.67 3kyg h THR 30 Ca 0.15 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.05 3kyg h THR 30 Cb 0.02 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3kyg h THR 30 CO -0.02 0.06 -0.46 0.44 0.37 0.00 0.00 175.52 175.90 3kyg h ASP 31 N 0.31 0.90 0.04 4.18 3.32 -1.86 -2.32 116.42 120.99 3kyg h ASP 31 Ca 0.13 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3kyg h ASP 31 Cb 0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3kyg h ASP 31 CO -0.09 1.22 -0.02 0.00 -1.72 0.00 0.00 179.24 178.63 3kyg h ALA 32 N 0.81 -0.05 0.00 3.45 0.00 -1.13 -2.94 119.26 119.39 3kyg h ALA 32 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kyg h ALA 32 Cb 1.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kyg h ALA 32 CO 0.10 -0.49 -0.14 -0.07 0.00 0.00 0.00 179.25 178.66 3kyg h LEU 33 N -0.14 0.00 -2.42 0.00 3.38 -1.04 -0.48 115.31 114.61 3kyg h LEU 33 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kyg h LEU 33 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kyg h LEU 33 CO 0.01 0.14 -0.02 0.00 0.09 0.00 0.00 178.44 178.66 3kyg h ALA 34 N 1.86 1.09 0.00 1.53 0.00 -1.23 -0.18 119.26 122.34 3kyg h ALA 34 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kyg h ALA 34 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kyg h ALA 34 CO 0.02 0.02 -0.13 -1.33 0.00 0.00 0.00 179.25 177.83 3kyg n MET 35 N -3.24 0.25 -3.70 0.00 2.81 -0.19 -4.79 117.12 108.27 3kyg n MET 35 Ca -0.02 0.17 -0.36 0.00 -1.81 0.00 0.00 57.70 55.68 3kyg n MET 35 Cb 0.15 -1.76 -0.07 0.00 -0.71 0.00 0.00 33.22 30.83 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 -3.11 5.38 0.05 2.03 1.01 -0.08 -4.39 120.40 121.29 3kyg s VAL 36 Ca 0.10 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 3kyg s VAL 36 Cb 0.13 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3kyg s VAL 36 CO 0.62 0.48 1.10 -1.61 0.00 0.00 0.00 175.10 175.69 3kyg s GLU 37 N -0.05 4.50 0.61 2.72 2.02 -1.26 -5.01 118.70 122.23 3kyg s GLU 37 Ca 0.13 1.62 -0.19 0.00 0.02 0.00 0.00 54.97 56.56 3kyg s GLU 37 Cb -0.12 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 3kyg s GLU 37 CO 0.02 -0.14 1.03 -2.39 0.02 0.00 0.00 175.26 173.80 3kyg n HIS 38 N 3.78 1.06 -0.69 1.61 1.44 -1.26 -1.61 115.22 119.55 3kyg n HIS 38 Ca 0.07 0.43 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 3kyg n HIS 38 Cb 0.48 -2.17 0.00 0.00 0.12 0.00 0.00 29.99 28.42 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 -0.95 0.00 -4.80 4.39 7.64 0.27 -5.01 113.62 115.16 3kyg n SER 39 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 3kyg n SER 39 Cb 0.47 -0.29 0.12 0.00 -1.01 0.00 0.00 64.21 63.50 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 -3.10 3.90 0.04 6.43 1.04 -0.63 -4.50 113.70 116.88 3kyg s SER 40 Ca 0.00 1.08 -0.23 0.00 0.48 0.00 0.00 55.95 57.28 3kyg s SER 40 Cb 0.00 -1.71 -0.06 0.00 0.10 0.00 0.00 66.02 64.35 3kyg s SER 40 CO 0.00 -2.32 0.70 -0.70 0.98 0.00 0.00 173.24 171.90 3kyg s GLU 41 N -5.24 4.43 0.05 4.02 2.12 -1.26 -0.28 118.70 122.52 3kyg s GLU 41 Ca 0.63 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.94 3kyg s GLU 41 Cb -0.14 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3kyg s GLU 41 CO 0.53 0.37 -0.03 -0.51 -0.54 0.00 0.00 175.26 175.08 3kyg s LEU 42 N -0.29 3.33 -0.23 2.70 1.43 0.74 -4.42 118.68 121.95 3kyg s LEU 42 Ca 0.35 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3kyg s LEU 42 Cb -0.20 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3kyg s LEU 42 CO 0.21 0.23 -0.07 -0.89 0.23 0.00 0.00 176.35 176.06 3kyg s THR 43 N -1.15 2.98 -0.23 5.49 2.01 -0.51 -1.67 115.64 122.56 3kyg s THR 43 Ca 0.21 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 3kyg s THR 43 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3kyg s THR 43 CO 0.13 0.35 0.08 -0.76 -0.69 0.00 0.00 174.62 173.73 3kyg s LEU 44 N 1.39 3.63 -0.18 4.42 1.02 0.48 -1.20 118.68 128.24 3kyg s LEU 44 Ca 0.04 -0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.09 3kyg s LEU 44 Cb -0.15 -1.96 -0.00 0.00 0.02 0.00 0.00 46.19 44.10 3kyg s LEU 44 CO -0.05 0.04 -0.11 -0.44 0.02 0.00 0.00 176.35 175.80 3kyg s SER 45 N 1.21 3.92 -0.05 2.29 0.01 -0.19 -1.19 113.70 119.70 3kyg s SER 45 Ca 0.05 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.92 3kyg s SER 45 Cb -0.14 -1.63 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 3kyg s SER 45 CO 0.04 0.05 -0.18 -0.63 0.41 0.00 0.00 173.24 172.93 3kyg s ILE 46 N 1.03 1.53 -0.12 1.44 1.01 0.78 -1.37 121.20 125.51 3kyg s ILE 46 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3kyg s ILE 46 Cb -0.15 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3kyg s ILE 46 CO -0.02 0.44 -0.16 -0.89 0.00 0.00 0.00 174.94 174.30 3kyg s THR 47 N 0.08 1.63 0.66 2.92 2.01 -1.26 0.39 115.64 122.07 3kyg s THR 47 Ca -0.06 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 3kyg s THR 47 Cb -0.13 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 70.91 3kyg s THR 47 CO 0.03 0.47 1.03 0.42 -0.69 0.00 0.00 174.62 175.88 3kyg s THR 48 N 1.03 3.61 0.56 -0.82 -4.23 -0.06 -4.91 115.64 110.82 3kyg s THR 48 Ca -0.05 0.35 0.27 0.00 -1.18 0.00 0.00 61.69 61.08 3kyg s THR 48 Cb -0.15 -3.49 0.38 0.00 1.34 0.00 0.00 72.50 70.58 3kyg s THR 48 CO -0.03 -0.61 2.01 -0.65 -0.54 0.00 0.00 174.62 174.80 3kyg h PRO 49 N -0.48 0.00 -0.27 3.99 0.11 -1.97 0.21 132.00 133.58 3kyg h PRO 49 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kyg h PRO 49 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kyg h PRO 49 CO 0.63 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.75 3kyg n VAL 50 N -4.06 0.36 -0.64 3.15 0.24 -1.26 -4.91 118.33 111.21 3kyg n VAL 50 Ca 0.07 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3kyg n VAL 50 Cb 0.53 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 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 1.01 0.70 3.71 7.63 0.00 0.73 -5.04 105.19 113.94 3kyg n GLY 51 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.18 4.54 -0.08 2.61 2.01 -1.26 -4.79 115.64 116.50 3kyg s THR 52 Ca 0.00 1.82 0.01 0.00 0.31 0.00 0.00 61.69 63.83 3kyg s THR 52 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3kyg s THR 52 CO 0.00 0.14 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.22 3kyg s LYS 53 N 1.07 2.90 -0.01 4.92 2.20 -1.26 -0.88 119.74 128.68 3kyg s LYS 53 Ca 0.55 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 3kyg s LYS 53 Cb -0.24 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 3kyg s LYS 53 CO 0.28 0.52 -0.10 0.12 -0.36 0.00 0.00 175.35 175.81 3kyg s PHE 54 N -0.44 0.93 -0.04 4.03 5.36 0.16 -4.99 117.98 122.99 3kyg s PHE 54 Ca 0.06 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 3kyg s PHE 54 Cb -0.12 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.95 3kyg s PHE 54 CO 0.02 -0.03 -0.14 0.08 -1.46 0.00 0.00 175.22 173.69 3kyg s VAL 55 N -0.19 1.21 0.19 3.12 1.01 -1.26 -0.15 120.40 124.33 3kyg s VAL 55 Ca 0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3kyg s VAL 55 Cb -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3kyg s VAL 55 CO -0.00 0.36 0.21 0.00 0.00 0.00 0.00 175.10 175.67 3kyg s ARG 57 N -4.08 0.86 0.10 0.00 0.52 -1.26 -0.39 118.95 114.69 3kyg s ARG 57 Ca 0.29 -0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 54.39 3kyg s ARG 57 Cb 0.05 -0.86 0.07 0.00 0.52 0.00 0.00 34.95 34.73 3kyg s ARG 57 CO 0.08 0.20 0.62 -0.08 0.02 0.00 0.00 175.30 176.14 3kyg s THR 58 N -1.08 0.00 0.24 0.02 -1.32 -0.67 -4.75 115.64 108.09 3kyg s THR 58 Ca -0.01 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.17 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 1.03 -2.84 -2.21 0.00 0.00 174.62 170.61 3kyg s PRO 59 N -2.99 4.73 0.07 7.08 0.02 -1.26 -0.18 135.00 142.47 3kyg s PRO 59 Ca -0.03 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 3kyg s PRO 59 Cb -0.01 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 3kyg s PRO 59 CO -0.06 0.33 1.12 0.12 -0.33 0.00 0.00 177.00 178.18 3kyg s PHE 60 N -1.01 3.53 -0.19 6.54 5.36 0.61 -1.54 117.98 131.28 3kyg s PHE 60 Ca 0.44 1.47 -0.15 0.00 -0.96 0.00 0.00 56.93 57.72 3kyg s PHE 60 Cb -0.29 -3.31 -0.10 0.00 -0.34 0.00 0.00 43.02 38.99 3kyg s PHE 60 CO 0.36 -0.80 -0.14 -0.89 -1.46 0.00 0.00 175.22 172.29 3kyg n ILE 61 N 3.58 1.49 -3.69 3.12 5.41 0.13 -0.57 119.36 128.83 3kyg n ILE 61 Ca 0.07 0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3kyg n ILE 61 Cb 0.47 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 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 1.46 -0.88 3.11 7.39 0.00 -1.14 -4.29 105.19 110.84 3kyg n GLY 62 Ca -0.25 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 0.90 -0.32 2.61 -4.23 -1.26 0.34 115.64 110.68 3kyg s THR 63 Ca 0.00 -1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 3kyg s THR 63 Cb 0.00 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 3kyg s THR 63 CO 0.00 -0.13 0.30 -2.28 -0.54 0.00 0.00 174.62 171.97 3kyg s HIS 64 N -1.00 3.22 0.00 3.99 2.46 -0.44 -4.96 115.29 118.57 3kyg s HIS 64 Ca -0.02 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.51 3kyg s HIS 64 Cb -0.08 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.82 3kyg s HIS 64 CO 0.01 -0.34 0.00 0.25 -2.47 0.00 0.00 174.74 172.19 3kyg n THR 65 N 5.15 0.00 -1.05 0.89 -2.24 -1.26 -0.86 114.28 114.91 3kyg n THR 65 Ca -0.11 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3kyg n THR 65 Cb 0.50 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.00 1.88 -0.02 3.42 5.75 -1.26 -4.78 116.55 123.54 3kyg n ASP 66 Ca 0.00 -2.71 -0.20 0.00 -0.01 0.00 0.00 54.79 51.87 3kyg n ASP 66 Cb 0.00 -0.32 -0.13 0.00 -1.03 0.00 0.00 41.12 39.64 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 0.16 -3.40 0.11 1.57 -1.39 -3.43 116.57 110.19 3kyg h LYS 67 Ca 0.00 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 3kyg h LYS 67 Cb 0.99 0.10 -0.21 0.00 0.08 0.00 0.00 32.23 33.19 3kyg h LYS 67 CO 0.00 1.13 -0.45 -0.06 -0.57 0.00 0.00 179.45 179.50 3kyg s PHE 68 N -2.41 -0.02 -0.25 -1.35 0.08 -1.17 -4.42 117.98 108.45 3kyg s PHE 68 Ca -0.21 -0.00 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 3kyg s PHE 68 Cb 0.03 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.43 3kyg s PHE 68 CO 0.73 -0.29 0.14 -1.17 -0.10 0.00 0.00 175.22 174.52 3kyg s LEU 69 N -1.26 3.91 -0.16 -0.37 2.96 0.30 -1.33 118.68 122.74 3kyg s LEU 69 Ca -0.13 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3kyg s LEU 69 Cb -0.07 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3kyg s LEU 69 CO 0.02 0.03 0.10 -0.76 -1.32 0.00 0.00 176.35 174.42 3kyg s LEU 70 N 1.28 4.10 0.11 -0.68 1.02 0.15 -0.31 118.68 124.36 3kyg s LEU 70 Ca 0.06 0.26 0.04 0.00 0.02 0.00 0.00 54.13 54.51 3kyg s LEU 70 Cb -0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 3kyg s LEU 70 CO 0.06 0.27 -0.11 0.68 0.02 0.00 0.00 176.35 177.27 3kyg s VAL 71 N -0.18 1.05 0.37 -1.59 -7.23 -0.69 -0.70 120.40 111.43 3kyg s VAL 71 Ca 0.09 -1.77 -0.26 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 35.21 3kyg s VAL 71 CO 0.01 -0.60 1.11 -1.61 -0.31 0.00 0.00 175.10 173.70 3kyg s GLU 72 N -3.05 4.23 0.18 4.82 2.02 -0.59 -1.45 118.70 124.86 3kyg s GLU 72 Ca 0.09 1.71 -0.32 0.00 0.02 0.00 0.00 54.97 56.46 3kyg s GLU 72 Cb -0.01 -2.74 -0.12 0.00 0.10 0.00 0.00 34.13 31.35 3kyg s GLU 72 CO 0.00 -0.13 1.70 -1.33 0.02 0.00 0.00 175.26 175.53 3kyg n MET 73 N 0.28 2.60 -2.32 1.61 2.81 -1.14 -4.61 117.12 116.35 3kyg n MET 73 Ca 0.03 0.94 -0.37 0.00 -1.81 0.00 0.00 57.70 56.50 3kyg n MET 73 Cb 0.47 -2.77 -0.01 0.00 -0.71 0.00 0.00 33.22 30.19 3kyg n MET 73 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3kyg s PRO 74 N 1.35 3.79 -0.95 0.03 0.04 -1.26 -4.91 135.00 133.10 3kyg s PRO 74 Ca 0.77 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 63.26 3kyg s PRO 74 Cb -0.55 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 31.66 3kyg s PRO 74 CO 0.35 -0.51 1.45 0.15 0.04 0.00 0.00 177.00 178.48 3kyg s LYS 75 N -2.75 3.43 0.07 4.56 1.02 -1.26 -4.94 119.74 119.86 3kyg s LYS 75 Ca 0.64 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.76 3kyg s LYS 75 Cb -0.26 -5.09 -0.04 0.00 -0.52 0.00 0.00 37.83 31.92 3kyg s LYS 75 CO 0.32 -2.28 -0.02 0.96 -0.92 0.00 0.00 175.35 173.41 3kyg s ILE 76 N 5.50 0.24 0.89 2.17 -4.36 -1.26 -5.09 121.20 119.29 3kyg s ILE 76 Ca 0.46 -1.84 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 3kyg s ILE 76 Cb -0.02 -1.61 0.13 0.00 1.25 0.00 0.00 42.46 42.21 3kyg s ILE 76 CO -0.04 -0.91 1.11 -0.94 0.24 0.00 0.00 174.94 174.40 3kyg s SER 77 N -2.95 3.30 0.27 4.36 1.04 -1.26 -4.74 113.70 113.72 3kyg s SER 77 Ca 0.10 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.41 3kyg s SER 77 Cb 0.08 -2.48 0.34 0.00 0.10 0.00 0.00 66.02 64.06 3kyg s SER 77 CO -0.08 -2.82 1.92 0.00 0.98 0.00 0.00 173.24 173.24 3kyg h ALA 78 N -1.67 1.30 0.27 5.32 0.00 -2.02 0.28 119.26 122.74 3kyg h ALA 78 Ca -0.46 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.37 3kyg h ALA 78 Cb 1.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3kyg h ALA 78 CO 0.47 0.61 -0.37 -0.44 0.00 0.00 0.00 179.25 179.52 3kyg h ASP 79 N 1.19 -1.02 0.06 0.00 3.45 -1.99 0.11 116.42 118.22 3kyg h ASP 79 Ca 0.31 0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.79 3kyg h ASP 79 Cb -0.06 0.36 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3kyg h ASP 79 CO -0.06 -0.48 -0.26 0.44 -1.57 0.00 0.00 179.24 177.31 3kyg h ASP 80 N -0.69 0.33 -0.08 6.45 3.45 -1.72 -1.25 116.42 122.91 3kyg h ASP 80 Ca -0.01 -0.10 -0.16 0.00 0.43 0.00 0.00 57.03 57.19 3kyg h ASP 80 Cb 0.66 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 3kyg h ASP 80 CO -0.12 0.59 -0.51 0.25 -1.57 0.00 0.00 179.24 177.88 3kyg h LEU 81 N 0.29 0.71 -0.28 1.55 6.46 -0.19 0.31 115.31 124.17 3kyg h LEU 81 Ca 0.04 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.38 3kyg h LEU 81 Cb 0.62 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 3kyg h LEU 81 CO 0.04 1.09 -0.06 -0.61 -0.62 0.00 0.00 178.44 178.29 3kyg h GLN 82 N 0.51 0.53 0.00 1.25 -0.00 -0.42 -0.95 115.11 116.02 3kyg h GLN 82 Ca 0.02 -0.20 -0.13 0.00 -0.00 0.00 0.00 58.65 58.34 3kyg h GLN 82 Cb 1.06 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.49 3kyg h GLN 82 CO 0.10 0.73 -1.25 1.88 0.00 0.00 0.00 178.83 180.29 3kyg h TYR 83 N 0.29 0.00 0.00 3.99 0.05 -1.21 -3.42 116.97 116.67 3kyg h TYR 83 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3kyg h TYR 83 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 3kyg h TYR 83 CO 0.05 0.45 0.00 1.19 -1.05 0.00 0.00 178.16 178.79 3kyg n PHE 84 N -2.87 0.00 -3.13 4.88 3.72 0.11 -4.85 117.46 115.32 3kyg n PHE 84 Ca -0.07 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.10 3kyg n PHE 84 Cb 0.77 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.26 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 -0.86 2.10 -4.15 1.38 7.35 -0.36 -4.97 117.46 117.95 3kyg n PHE 85 Ca 0.00 -3.90 -0.32 0.00 -0.76 0.00 0.00 57.45 52.46 3kyg n PHE 85 Cb 0.00 -0.46 -0.07 0.00 0.35 0.00 0.00 39.48 39.30 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 -2.68 2.95 0.35 -4.13 -1.52 -1.25 -4.76 119.66 108.61 3kyg s GLN 86 Ca 0.43 -0.56 -0.28 0.00 -1.95 0.00 0.00 55.36 53.00 3kyg s GLN 86 Cb 0.27 -2.78 -0.12 0.00 -0.22 0.00 0.00 33.01 30.17 3kyg s GLN 86 CO -0.10 0.63 1.46 0.39 -0.25 0.00 0.00 175.29 177.42 3kyg n GLU 87 N 1.14 2.54 0.00 2.91 1.02 -1.26 -1.41 120.64 125.58 3kyg n GLU 87 Ca -0.13 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3kyg n GLU 87 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 3kyg n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kyg n GLY 88 N 0.86 3.30 3.77 0.62 0.00 0.18 -5.01 105.19 108.91 3kyg n GLY 88 Ca 0.04 0.00 -0.38 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 -2.95 3.10 0.07 1.61 0.40 -0.50 -4.71 117.98 115.00 3kyg s PHE 89 Ca 0.00 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 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 -1.28 0.21 -1.58 0.70 0.00 0.00 175.22 173.27 3kyg s TRP 90 N -1.40 3.49 -0.02 0.36 0.52 -1.26 -0.45 118.94 120.17 3kyg s TRP 90 Ca 0.56 0.22 -0.15 0.00 0.02 0.00 0.00 56.10 56.75 3kyg s TRP 90 Cb -0.31 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3kyg s TRP 90 CO 0.39 0.57 0.32 0.00 0.02 0.00 0.00 176.95 178.25 3kyg s MET 91 N -2.61 0.66 -0.12 4.98 0.23 0.11 -4.60 119.30 117.95 3kyg s MET 91 Ca 0.35 -0.14 -0.11 0.00 -1.03 0.00 0.00 55.69 54.75 3kyg s MET 91 Cb -0.13 0.29 -0.05 0.00 -1.53 0.00 0.00 34.83 33.42 3kyg s MET 91 CO 0.28 -0.18 0.24 -0.80 -2.03 0.00 0.00 175.02 172.53 3kyg s ASN 92 N -1.23 6.47 0.03 -1.18 0.01 -0.47 -1.51 114.94 117.07 3kyg s ASN 92 Ca -0.13 0.55 0.08 0.00 -0.71 0.00 0.00 52.86 52.66 3kyg s ASN 92 Cb -0.05 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 3kyg s ASN 92 CO 0.04 0.26 -0.24 -0.63 -1.51 0.00 0.00 177.10 175.03 3kyg s ILE 93 N -0.38 1.92 -0.10 0.60 1.01 0.84 -1.02 121.20 124.07 3kyg s ILE 93 Ca 0.16 -1.26 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3kyg s ILE 93 Cb -0.13 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3kyg s ILE 93 CO 0.05 0.34 -0.19 -0.60 0.00 0.00 0.00 174.94 174.54 3kyg s ARG 94 N -1.10 2.54 0.32 2.79 3.52 -0.34 -1.57 118.95 125.10 3kyg s ARG 94 Ca 0.10 -0.70 0.10 0.00 -0.13 0.00 0.00 55.73 55.10 3kyg s ARG 94 Cb -0.09 -2.02 -0.06 0.00 -1.56 0.00 0.00 34.95 31.22 3kyg s ARG 94 CO 0.01 0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 174.45 3kyg s ALA 95 N 0.62 2.80 0.16 6.12 0.00 0.62 -1.43 121.76 130.65 3kyg s ALA 95 Ca -0.14 -2.00 0.10 0.00 0.00 0.00 0.00 51.96 49.92 3kyg s ALA 95 Cb -0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3kyg s ALA 95 CO 0.04 0.11 -0.20 0.42 0.00 0.00 0.00 175.76 176.13 3kyg s ILE 96 N -2.65 2.64 -0.05 0.00 -1.09 -1.26 -1.25 121.20 117.54 3kyg s ILE 96 Ca 0.31 -1.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.00 3kyg s ILE 96 Cb 0.01 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.65 3kyg s ILE 96 CO 0.15 -0.01 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.18 3kyg s SER 97 N -2.43 1.61 0.00 3.58 0.15 -0.31 -4.40 113.70 111.91 3kyg s SER 97 Ca 0.19 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 56.84 3kyg s SER 97 Cb -0.09 -0.59 0.74 0.00 -1.71 0.00 0.00 66.02 64.37 3kyg s SER 97 CO 0.10 0.06 1.57 -0.81 1.20 0.00 0.00 173.24 175.36 3kyg n PRO 98 N 3.53 0.32 -1.70 5.44 -0.04 -1.26 -1.36 135.00 139.92 3kyg n PRO 98 Ca -0.21 -0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.65 3kyg n PRO 98 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3kyg n PRO 98 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kyg n ARG 99 N -1.19 2.29 0.00 0.54 1.74 -1.26 -4.20 116.66 114.58 3kyg n ARG 99 Ca 0.09 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 3kyg n ARG 99 Cb 0.33 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 3kyg n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kyg n GLY 100 N 2.07 3.61 0.00 -0.13 0.00 -1.26 -0.07 105.19 109.40 3kyg n GLY 100 Ca 0.10 0.03 0.13 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 0.00 0.00 1.61 -0.58 -1.26 -5.00 120.64 129.41 3kyg n GLU 101 Ca 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3kyg n GLU 101 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 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 1.22 2.51 3.31 0.62 0.00 0.89 -5.06 105.19 108.69 3kyg n GLY 102 Ca 0.06 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.44 -0.48 -0.03 4.61 0.00 -0.47 -4.53 121.76 118.42 3kyg s ALA 103 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.57 3kyg s ALA 103 Cb 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3kyg s ALA 103 CO 0.00 -0.62 -0.24 -0.51 0.00 0.00 0.00 175.76 174.39 3kyg s LEU 104 N -2.87 2.17 -0.16 0.00 2.01 -0.24 -1.17 118.68 118.41 3kyg s LEU 104 Ca 0.08 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.80 3kyg s LEU 104 Cb 0.03 -1.38 0.02 0.00 0.01 0.00 0.00 46.19 44.86 3kyg s LEU 104 CO -0.08 0.31 -0.20 -0.63 1.01 0.00 0.00 176.35 176.77 3kyg s ILE 105 N -0.55 1.98 -0.09 -0.59 1.09 -0.38 -0.24 121.20 122.43 3kyg s ILE 105 Ca 0.08 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 3kyg s ILE 105 Cb -0.11 -1.79 -0.02 0.00 -1.06 0.00 0.00 42.46 39.49 3kyg s ILE 105 CO 0.00 0.53 -0.18 -1.00 -0.10 0.00 0.00 174.94 174.19 3kyg s HIS 106 N 1.15 2.66 0.19 3.97 3.76 0.25 -0.28 115.29 126.98 3kyg s HIS 106 Ca 0.01 -0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 54.18 3kyg s HIS 106 Cb -0.14 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.87 3kyg s HIS 106 CO -0.09 -0.13 0.50 -0.59 -0.85 0.00 0.00 174.74 173.59 3kyg s PHE 107 N -0.08 -0.07 -0.12 1.40 -0.12 -0.61 -0.81 117.98 117.58 3kyg s PHE 107 Ca -0.04 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 3kyg s PHE 107 Cb -0.14 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 3kyg s PHE 107 CO 0.04 -0.90 -0.14 0.50 -0.05 0.00 0.00 175.22 174.67 3kyg s ARG 108 N -3.88 3.27 0.06 1.99 3.52 -1.26 -0.11 118.95 122.52 3kyg s ARG 108 Ca 0.10 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 3kyg s ARG 108 Cb -0.01 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3kyg s ARG 108 CO -0.03 0.25 -0.05 0.45 -0.81 0.00 0.00 175.30 175.11 3kyg s SER 109 N 0.24 0.73 -0.13 -2.12 0.15 -0.57 -4.42 113.70 107.58 3kyg s SER 109 Ca -0.10 -0.78 -0.04 0.00 0.70 0.00 0.00 55.95 55.73 3kyg s SER 109 Cb -0.16 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3kyg s SER 109 CO 0.06 -0.39 0.01 -1.58 1.20 0.00 0.00 173.24 172.53 3kyg s GLN 110 N -2.77 3.45 -0.20 5.44 0.74 -1.26 -0.71 119.66 124.35 3kyg s GLN 110 Ca -0.01 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3kyg s GLN 110 Cb -0.01 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 3kyg s GLN 110 CO -0.04 0.47 1.43 -1.17 -0.55 0.00 0.00 175.29 175.43 3kyg s LEU 111 N -0.23 4.04 -0.26 3.68 2.96 0.40 -0.96 118.68 128.31 3kyg s LEU 111 Ca 0.06 1.62 -0.04 0.00 -0.22 0.00 0.00 54.13 55.55 3kyg s LEU 111 Cb -0.12 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 3kyg s LEU 111 CO 0.02 -1.01 -0.24 0.23 -1.32 0.00 0.00 176.35 174.03 3kyg n MET 112 N 7.17 0.63 -3.79 1.98 2.81 0.27 0.48 117.12 126.68 3kyg n MET 112 Ca 0.16 0.20 -0.13 0.00 -1.81 0.00 0.00 57.70 56.12 3kyg n MET 112 Cb 0.45 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 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 -0.17 -0.13 2.03 3.76 -1.00 -4.73 115.29 112.55 3kyg s HIS 113 Ca -0.36 0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 3kyg s HIS 113 Cb 0.11 0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.87 3kyg s HIS 113 CO 0.57 -0.32 -0.23 0.42 -0.85 0.00 0.00 174.74 174.34 3kyg s ILE 114 N -1.01 2.05 0.03 0.60 1.01 -1.26 -0.02 121.20 122.60 3kyg s ILE 114 Ca -0.11 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.62 3kyg s ILE 114 Cb -0.05 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3kyg s ILE 114 CO 0.03 0.55 -0.18 -0.76 0.00 0.00 0.00 174.94 174.58 3kyg s LEU 115 N 0.65 2.60 -0.19 2.97 1.43 0.95 -5.00 118.68 122.09 3kyg s LEU 115 Ca -0.11 -0.40 0.13 0.00 -1.03 0.00 0.00 54.13 52.72 3kyg s LEU 115 Cb -0.16 -1.52 -0.21 0.00 0.03 0.00 0.00 46.19 44.33 3kyg s LEU 115 CO 0.02 0.27 0.01 1.67 0.23 0.00 0.00 176.35 178.54 3kyg n GLN 116 N 1.69 0.94 -4.62 1.70 -0.06 -1.26 -0.97 117.38 114.81 3kyg n GLN 116 Ca -0.16 0.02 -0.31 0.00 -2.00 0.00 0.00 57.00 54.55 3kyg n GLN 116 Cb 0.52 -1.47 -0.13 0.00 -4.06 0.00 0.00 30.24 25.11 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 -2.44 2.02 0.00 3.69 0.41 -1.26 -2.88 118.70 118.23 3kyg s GLU 117 Ca -0.14 -1.01 0.31 0.00 -0.41 0.00 0.00 54.97 53.72 3kyg s GLU 117 Cb 0.06 -2.17 1.70 0.00 -1.78 0.00 0.00 34.13 31.94 3kyg s GLU 117 CO 0.70 0.53 2.13 -0.35 -0.49 0.00 0.00 175.26 177.78 3kyg n PRO 118 N 1.45 0.70 -3.68 0.39 -0.04 -1.26 -4.94 135.00 127.63 3kyg n PRO 118 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 3kyg n PRO 118 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3kyg n PRO 118 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kyg s VAL 119 N -2.29 0.05 -0.10 0.52 -7.23 -1.14 -5.12 120.40 105.09 3kyg s VAL 119 Ca 0.38 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 3kyg s VAL 119 Cb 0.21 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 3kyg s VAL 119 CO 0.41 -0.23 1.61 -2.84 -0.31 0.00 0.00 175.10 173.75 3kyg s PRO 120 N -1.99 4.09 0.01 4.82 0.02 -1.16 -4.37 135.00 136.42 3kyg s PRO 120 Ca -0.08 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 3kyg s PRO 120 Cb -0.02 -3.98 -0.01 0.00 0.02 0.00 0.00 34.50 30.51 3kyg s PRO 120 CO 0.01 -0.95 0.03 -1.64 -0.33 0.00 0.00 177.00 174.12 3kyg s MET 121 N 4.15 0.33 -0.07 5.54 -1.94 -0.14 -2.89 119.30 124.29 3kyg s MET 121 Ca 0.71 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.27 3kyg s MET 121 Cb -0.30 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.64 3kyg s MET 121 CO 0.28 -0.06 -0.15 0.00 -0.01 0.00 0.00 175.02 175.08 3kyg s ALA 122 N -1.24 2.61 -0.31 3.03 0.00 -0.53 -0.03 121.76 125.28 3kyg s ALA 122 Ca -0.14 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3kyg s ALA 122 Cb -0.08 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3kyg s ALA 122 CO -0.00 0.48 0.08 -0.06 0.00 0.00 0.00 175.76 176.26 3kyg s PHE 123 N -0.45 3.19 0.17 0.00 0.08 0.97 -1.71 117.98 120.22 3kyg s PHE 123 Ca 0.05 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 55.95 3kyg s PHE 123 Cb -0.12 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3kyg s PHE 123 CO 0.02 -0.65 0.18 -0.51 -0.10 0.00 0.00 175.22 174.16 3kyg s LEU 124 N 1.45 3.95 0.69 -0.37 1.43 0.58 -0.57 118.68 125.83 3kyg s LEU 124 Ca 0.01 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 3kyg s LEU 124 Cb -0.18 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3kyg s LEU 124 CO 0.02 0.05 1.07 -0.94 0.23 0.00 0.00 176.35 176.79 3kyg s SER 125 N -3.21 5.23 -0.31 2.29 1.04 -0.14 -0.54 113.70 118.06 3kyg s SER 125 Ca 0.32 1.75 -0.03 0.00 0.48 0.00 0.00 55.95 58.47 3kyg s SER 125 Cb -0.10 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.55 3kyg s SER 125 CO 0.25 -1.55 0.02 -0.63 0.98 0.00 0.00 173.24 172.32 3kyg s ILE 126 N -2.81 3.20 0.84 -1.02 1.01 -1.26 -4.47 121.20 116.68 3kyg s ILE 126 Ca 0.61 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 3kyg s ILE 126 Cb -0.16 -2.82 0.10 0.00 0.01 0.00 0.00 42.46 39.59 3kyg s ILE 126 CO 0.50 -0.11 1.10 -2.16 0.00 0.00 0.00 174.94 174.28 3kyg s PRO 127 N 1.30 1.71 0.33 2.79 0.04 -1.26 -4.94 135.00 134.97 3kyg s PRO 127 Ca -0.04 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.29 3kyg s PRO 127 Cb -0.20 -1.83 0.57 0.00 0.04 0.00 0.00 34.50 33.08 3kyg s PRO 127 CO -0.00 -2.04 1.79 -0.91 0.04 0.00 0.00 177.00 175.88 3kyg h ASN 128 N -1.42 0.30 -4.49 6.66 2.35 -1.96 -3.41 115.58 113.61 3kyg h ASN 128 Ca -0.45 -0.09 -0.30 0.00 -0.55 0.00 0.00 56.30 54.92 3kyg h ASN 128 Cb 1.25 -0.08 -0.15 0.00 0.05 0.00 0.00 38.32 39.39 3kyg h ASN 128 CO 0.49 0.56 -0.66 0.42 -1.65 0.00 0.00 177.43 176.59 3kyg s THR 129 N -4.47 0.68 0.05 2.81 -4.23 -1.26 -1.19 115.64 108.03 3kyg s THR 129 Ca -0.05 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 3kyg s THR 129 Cb 0.14 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 3kyg s THR 129 CO 0.76 -0.43 0.04 -0.04 -0.54 0.00 0.00 174.62 174.41 3kyg s MET 130 N -3.92 0.63 -0.24 3.99 -1.94 0.10 -4.75 119.30 113.16 3kyg s MET 130 Ca 0.25 -1.03 -0.13 0.00 -1.71 0.00 0.00 55.69 53.07 3kyg s MET 130 Cb 0.06 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 37.09 3kyg s MET 130 CO 0.05 -0.14 0.29 -0.65 -0.01 0.00 0.00 175.02 174.55 3kyg s GLN 131 N -3.45 4.07 -0.13 2.03 -1.52 0.01 0.12 119.66 120.79 3kyg s GLN 131 Ca 0.02 -0.06 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 3kyg s GLN 131 Cb 0.04 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.22 3kyg s GLN 131 CO -0.08 -0.09 -0.08 0.08 -0.25 0.00 0.00 175.29 174.87 3kyg s VAL 132 N 1.49 3.55 -0.33 1.09 1.01 -0.03 -0.59 120.40 126.60 3kyg s VAL 132 Ca 0.13 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3kyg s VAL 132 Cb -0.15 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kyg s VAL 132 CO 0.08 0.52 0.10 -0.44 0.00 0.00 0.00 175.10 175.36 3kyg s SER 133 N 0.17 5.26 0.20 3.32 0.01 0.67 -1.78 113.70 121.56 3kyg s SER 133 Ca -0.04 -1.07 -0.03 0.00 1.31 0.00 0.00 55.95 56.13 3kyg s SER 133 Cb -0.14 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 3kyg s SER 133 CO 0.04 -0.30 0.17 0.00 0.41 0.00 0.00 173.24 173.55 3kyg s GLN 134 N 1.42 1.21 0.10 12.44 -2.07 -0.71 -1.08 119.66 130.96 3kyg s GLN 134 Ca -0.01 -1.56 -0.11 0.00 -1.82 0.00 0.00 55.36 51.86 3kyg s GLN 134 Cb -0.19 0.29 -0.17 0.00 -1.09 0.00 0.00 33.01 31.85 3kyg s GLN 134 CO 0.03 -0.41 1.26 0.00 -1.32 0.00 0.00 175.29 174.85 3kyg h ARG 135 N 2.60 0.68 -6.85 9.60 2.47 -1.80 0.32 114.38 121.40 3kyg h ARG 135 Ca -0.35 -0.66 -0.53 0.00 -1.26 0.00 0.00 59.98 57.18 3kyg h ARG 135 Cb 1.24 0.17 0.08 0.00 -1.65 0.00 0.00 29.97 29.82 3kyg h ARG 135 CO 0.52 1.26 0.77 1.03 0.56 0.00 0.00 179.97 184.11 3kyg s ARG 136 N -3.46 4.20 0.08 0.04 0.52 -1.26 -4.61 118.95 114.46 3kyg s ARG 136 Ca -0.09 2.44 0.23 0.00 -0.52 0.00 0.00 55.73 57.79 3kyg s ARG 136 Cb 0.08 -3.04 0.17 0.00 0.52 0.00 0.00 34.95 32.68 3kyg s ARG 136 CO 0.91 -0.46 1.14 0.36 0.02 0.00 0.00 175.30 177.26 3kyg n LYS 137 N 1.40 0.29 -3.92 3.54 2.85 -1.26 -4.55 118.16 116.50 3kyg n LYS 137 Ca 0.04 0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.23 3kyg n LYS 137 Cb 0.39 -1.63 -0.06 0.00 -0.65 0.00 0.00 35.03 33.09 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 -3.19 1.28 0.64 -1.58 -1.05 -1.26 -5.00 118.70 108.54 3kyg s GLU 138 Ca 0.05 -1.13 -0.12 0.00 -0.15 0.00 0.00 54.97 53.62 3kyg s GLU 138 Cb 0.14 0.42 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3kyg s GLU 138 CO 0.77 -0.50 1.04 -1.25 0.95 0.00 0.00 175.26 176.27 3kyg s PRO 139 N -3.96 3.35 -0.09 -4.83 0.04 -1.26 -5.05 135.00 123.20 3kyg s PRO 139 Ca 0.17 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.14 3kyg s PRO 139 Cb 0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3kyg s PRO 139 CO 0.01 -0.77 -0.22 1.03 0.04 0.00 0.00 177.00 177.09 3kyg s ARG 140 N -4.91 2.77 -0.18 4.56 0.52 -1.26 -4.53 118.95 115.91 3kyg s ARG 140 Ca 0.57 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 3kyg s ARG 140 Cb -0.12 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 3kyg s ARG 140 CO 0.51 0.17 0.15 -0.06 0.02 0.00 0.00 175.30 176.08 3kyg s PHE 141 N 0.36 3.46 0.52 -0.53 0.08 0.45 -4.81 117.98 117.52 3kyg s PHE 141 Ca -0.17 0.41 -0.19 0.00 0.12 0.00 0.00 56.93 57.10 3kyg s PHE 141 Cb -0.17 -2.14 -0.07 0.00 -0.57 0.00 0.00 43.02 40.07 3kyg s PHE 141 CO 0.08 0.38 1.05 -1.21 -0.10 0.00 0.00 175.22 175.42 3kyg s GLU 142 N 0.06 3.62 -0.01 0.44 0.41 -1.26 -0.12 118.70 121.83 3kyg s GLU 142 Ca 0.11 1.33 -0.29 0.00 -0.41 0.00 0.00 54.97 55.71 3kyg s GLU 142 Cb -0.12 -2.07 0.10 0.00 -1.78 0.00 0.00 34.13 30.27 3kyg s GLU 142 CO 0.00 -0.58 1.28 -0.48 -0.49 0.00 0.00 175.26 174.99 3kyg s LEU 143 N -3.82 -0.00 -0.40 1.80 0.05 -0.91 -2.76 118.68 112.64 3kyg s LEU 143 Ca 0.67 -0.20 0.04 0.00 0.05 0.00 0.00 54.13 54.68 3kyg s LEU 143 Cb -0.17 1.34 0.16 0.00 -2.05 0.00 0.00 46.19 45.47 3kyg s LEU 143 CO 0.26 -0.31 0.40 0.20 -0.55 0.00 0.00 176.35 176.35 3kyg s ASN 144 N -3.67 1.02 -0.14 1.48 -0.87 -1.22 -4.02 114.94 107.52 3kyg s ASN 144 Ca 0.27 -1.96 0.02 0.00 -1.57 0.00 0.00 52.86 49.62 3kyg s ASN 144 Cb 0.00 0.45 0.01 0.00 -0.02 0.00 0.00 41.25 41.69 3kyg s ASN 144 CO -0.01 -0.22 -0.22 -0.76 -2.57 0.00 0.00 177.10 173.33 3kyg s LEU 145 N 1.04 2.13 0.55 0.60 1.43 -1.02 -4.92 118.68 118.50 3kyg s LEU 145 Ca 0.22 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 3kyg s LEU 145 Cb -0.10 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3kyg s LEU 145 CO -0.06 0.08 1.06 0.00 0.23 0.00 0.00 176.35 177.66 3kyg s ALA 146 N 0.83 2.76 0.00 4.21 0.00 -1.26 -0.17 121.76 128.13 3kyg s ALA 146 Ca -0.07 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3kyg s ALA 146 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3kyg s ALA 146 CO -0.02 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3kyg n GLY 147 N -0.56 1.29 3.21 0.00 0.00 -0.36 -2.12 105.19 106.65 3kyg n GLY 147 Ca 0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 0.12 0.92 -0.24 1.61 -0.14 0.33 -1.72 119.74 120.62 3kyg s LYS 148 Ca 0.00 -1.01 -0.03 0.00 -1.36 0.00 0.00 55.97 53.57 3kyg s LYS 148 Cb 0.00 -1.01 0.01 0.00 -1.68 0.00 0.00 37.83 35.15 3kyg s LYS 148 CO 0.00 0.23 -0.03 0.54 -0.76 0.00 0.00 175.35 175.33 3kyg s VAL 149 N -1.21 3.26 -0.18 3.17 0.11 0.15 -0.43 120.40 125.26 3kyg s VAL 149 Ca 0.01 -0.73 -0.15 0.00 -2.93 0.00 0.00 61.98 58.18 3kyg s VAL 149 Cb -0.10 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 3kyg s VAL 149 CO 0.03 0.29 0.35 -0.22 -3.33 0.00 0.00 175.10 172.22 3kyg s LEU 150 N 1.42 4.19 -0.19 2.54 2.96 0.32 -0.66 118.68 129.26 3kyg s LEU 150 Ca 0.03 0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 54.36 3kyg s LEU 150 Cb -0.16 -2.46 0.07 0.00 0.50 0.00 0.00 46.19 44.15 3kyg s LEU 150 CO -0.03 -0.01 0.45 0.12 -1.32 0.00 0.00 176.35 175.56 3kyg s PHE 151 N 0.97 -0.74 -1.57 5.38 2.19 -0.30 -1.74 117.98 122.18 3kyg s PHE 151 Ca 0.18 1.49 -0.10 0.00 0.33 0.00 0.00 56.93 58.82 3kyg s PHE 151 Cb -0.14 0.33 0.08 0.00 -1.31 0.00 0.00 43.02 41.99 3kyg s PHE 151 CO 0.07 -0.42 0.62 -0.25 1.83 0.00 0.00 175.22 177.07 3kyg n ASP 152 N 4.68 -2.05 0.00 6.13 8.00 -1.26 -0.73 116.55 131.32 3kyg n ASP 152 Ca -0.18 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3kyg n ASP 152 Cb 0.53 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 3kyg n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kyg n GLU 153 N -4.42 0.00 -3.05 -1.24 -0.58 -1.26 -4.99 120.64 105.09 3kyg n GLU 153 Ca -0.10 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.28 3kyg n GLU 153 Cb 0.58 -1.97 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 3kyg n GLU 153 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3kyg s HIS 154 N -1.73 3.69 -0.15 -0.32 2.46 0.09 -5.07 115.29 114.26 3kyg s HIS 154 Ca 0.00 1.46 0.02 0.00 0.47 0.00 0.00 55.06 57.01 3kyg s HIS 154 Cb 0.00 -2.67 0.01 0.00 -0.13 0.00 0.00 32.58 29.80 3kyg s HIS 154 CO 0.00 0.35 -0.21 1.03 -2.47 0.00 0.00 174.74 173.45 3kyg s ARG 155 N -1.85 2.95 0.14 2.88 0.52 -1.26 -1.15 118.95 121.19 3kyg s ARG 155 Ca 0.42 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 3kyg s ARG 155 Cb -0.18 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 3kyg s ARG 155 CO 0.22 -0.09 0.09 0.20 0.02 0.00 0.00 175.30 175.73 3kyg s GLY 156 N 1.01 1.80 0.48 -3.53 0.00 0.17 -4.85 107.32 102.39 3kyg s GLY 156 Ca -0.02 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.29 3kyg s GLY 156 CO -0.06 -1.19 1.05 0.99 0.00 0.00 0.00 173.10 173.88 3kyg s ASP 157 N -2.85 6.37 0.25 1.64 -0.00 -1.26 0.30 116.67 121.11 3kyg s ASP 157 Ca 0.29 1.96 -0.17 0.00 -0.00 0.00 0.00 52.55 54.64 3kyg s ASP 157 Cb -0.10 -2.57 0.01 0.00 -0.00 0.00 0.00 42.92 40.26 3kyg s ASP 157 CO 0.22 -0.77 0.57 0.00 -0.00 0.00 0.00 175.17 175.19 3kyg s GLU 159 N -3.95 0.44 0.00 0.00 2.02 -0.47 -1.23 118.70 115.52 3kyg s GLU 159 Ca 0.16 0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.96 3kyg s GLU 159 Cb -0.03 -0.75 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 3kyg s GLU 159 CO 0.06 -0.23 1.20 -1.17 0.02 0.00 0.00 175.26 175.14 3kyg s LEU 160 N 1.61 4.33 -0.06 1.80 2.96 0.76 -1.35 118.68 128.74 3kyg s LEU 160 Ca -0.01 1.92 0.10 0.00 -0.22 0.00 0.00 54.13 55.92 3kyg s LEU 160 Cb -0.13 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 3kyg s LEU 160 CO -0.03 -0.53 0.14 0.54 -1.32 0.00 0.00 176.35 175.15 3kyg n ARG 161 N 4.58 1.37 -3.64 1.98 5.12 0.14 -2.43 116.66 123.79 3kyg n ARG 161 Ca 0.10 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 3kyg n ARG 161 Cb 0.46 -1.27 -0.06 0.00 -1.16 0.00 0.00 32.46 30.44 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 -3.80 -0.32 -0.07 0.55 3.84 -1.08 -2.15 116.67 113.63 3kyg s ASP 162 Ca -0.05 0.02 -0.05 0.00 -0.00 0.00 0.00 52.55 52.47 3kyg s ASP 162 Cb 0.05 0.45 0.03 0.00 -1.38 0.00 0.00 42.92 42.07 3kyg s ASP 162 CO 0.44 -0.70 0.18 -0.22 -0.00 0.00 0.00 175.17 174.87 3kyg s LEU 163 N -2.07 1.01 0.38 2.11 2.96 0.83 -1.23 118.68 122.67 3kyg s LEU 163 Ca -0.05 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3kyg s LEU 163 Cb -0.01 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.20 3kyg s LEU 163 CO -0.03 -0.10 0.12 -0.94 -1.32 0.00 0.00 176.35 174.08 3kyg s SER 164 N 0.60 2.54 0.47 3.68 1.04 0.16 -0.41 113.70 121.77 3kyg s SER 164 Ca -0.04 -1.61 0.21 0.00 0.48 0.00 0.00 55.95 54.98 3kyg s SER 164 Cb -0.06 0.40 1.15 0.00 0.10 0.00 0.00 66.02 67.62 3kyg s SER 164 CO -0.03 -0.88 1.98 0.03 0.98 0.00 0.00 173.24 175.32 3kyg h ARG 165 N 1.90 0.00 0.00 4.02 3.08 -1.96 -3.26 114.38 118.16 3kyg h ARG 165 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3kyg h ARG 165 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3kyg h ARG 165 CO 0.58 0.20 -1.22 0.43 -1.07 0.00 0.00 179.97 178.88 3kyg n SER 166 N -3.87 1.45 -0.75 7.04 7.64 -1.26 -4.72 113.62 119.15 3kyg n SER 166 Ca -0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.55 3kyg n SER 166 Cb 0.29 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.86 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 1.58 2.26 3.72 0.23 0.00 -1.23 -0.57 105.19 111.17 3kyg n GLY 167 Ca -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.67 2.30 0.05 0.00 3.52 -0.37 -0.42 118.95 120.36 3kyg s ARG 169 Ca 0.09 -0.81 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3kyg s ARG 169 Cb -0.03 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 3kyg s ARG 169 CO 0.01 0.33 0.03 -0.59 -0.81 0.00 0.00 175.30 174.27 3kyg s PHE 170 N -0.09 0.37 0.22 5.12 -0.12 -0.53 0.28 117.98 123.23 3kyg s PHE 170 Ca -0.04 -0.82 0.06 0.00 -0.05 0.00 0.00 56.93 56.09 3kyg s PHE 170 Cb -0.13 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 41.95 3kyg s PHE 170 CO 0.03 -0.38 -0.10 0.96 -0.05 0.00 0.00 175.22 175.68 3kyg s ILE 171 N -3.37 1.55 0.27 -4.49 -4.36 -0.45 -0.55 121.20 109.79 3kyg s ILE 171 Ca 0.02 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 3kyg s ILE 171 Cb 0.04 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 3kyg s ILE 171 CO -0.08 -0.50 0.05 0.42 0.24 0.00 0.00 174.94 175.07 3kyg s THR 172 N -3.08 0.90 0.50 8.37 -4.23 -0.83 -1.36 115.64 115.90 3kyg s THR 172 Ca 0.24 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 3kyg s THR 172 Cb 0.02 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 3kyg s THR 172 CO 0.08 -0.11 1.21 -2.84 -0.54 0.00 0.00 174.62 172.42 3kyg s PRO 173 N -3.94 3.51 0.54 3.99 0.02 -1.26 -4.36 135.00 133.51 3kyg s PRO 173 Ca 0.34 1.88 0.32 0.00 0.02 0.00 0.00 61.00 63.56 3kyg s PRO 173 Cb 0.07 -2.30 1.48 0.00 0.02 0.00 0.00 34.50 33.78 3kyg s PRO 173 CO 0.12 -0.79 1.88 -1.00 -0.33 0.00 0.00 177.00 176.88 3kyg h PRO 174 N 1.74 0.00 -0.07 5.54 0.13 -1.87 -0.09 132.00 137.38 3kyg h PRO 174 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kyg h PRO 174 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kyg h PRO 174 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 3kyg n LEU 175 N -4.19 1.44 -4.73 1.56 4.77 -1.26 -4.86 117.00 109.74 3kyg n LEU 175 Ca 0.18 -0.54 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 3kyg n LEU 175 Cb 0.96 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 42.13 3kyg n LEU 175 CO 0.38 0.27 0.68 -0.83 -1.33 0.00 0.00 177.39 176.56 3kyg s GLY 176 N -1.82 1.66 0.49 -0.72 0.00 -0.05 -4.96 107.32 101.93 3kyg s GLY 176 Ca 0.36 0.29 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 3kyg s GLY 176 CO 0.30 0.69 1.42 1.25 0.00 0.00 0.00 173.10 176.76 3kyg s LYS 177 N -4.83 3.47 -0.12 2.90 2.36 -1.26 -4.97 119.74 117.29 3kyg s LYS 177 Ca 0.63 2.39 -0.08 0.00 -2.55 0.00 0.00 55.97 56.36 3kyg s LYS 177 Cb -0.19 -2.51 -0.04 0.00 -1.05 0.00 0.00 37.83 34.04 3kyg s LYS 177 CO 0.57 -0.98 0.16 0.99 1.55 0.00 0.00 175.35 177.63 3kyg s THR 178 N -1.22 5.47 0.05 3.43 2.01 -1.26 -5.07 115.64 119.04 3kyg s THR 178 Ca 0.65 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.90 3kyg s THR 178 Cb -0.43 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3kyg s THR 178 CO 0.54 0.59 0.18 -0.31 -0.69 0.00 0.00 174.62 174.94 3kyg s TYR 179 N -0.82 3.46 0.13 4.92 2.02 -1.26 -5.11 117.35 120.69 3kyg s TYR 179 Ca 0.15 0.24 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 3kyg s TYR 179 Cb -0.12 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 3kyg s TYR 179 CO 0.04 0.59 0.10 -1.14 -1.57 0.00 0.00 175.55 173.57 3kyg s GLN 180 N -2.39 2.85 0.18 -0.62 2.00 -1.26 -5.00 119.66 115.42 3kyg s GLN 180 Ca 0.33 -0.82 -0.33 0.00 -2.00 0.00 0.00 55.36 52.54 3kyg s GLN 180 Cb -0.13 -2.65 -0.15 0.00 0.80 0.00 0.00 33.01 30.88 3kyg s GLN 180 CO 0.25 0.51 1.29 0.28 -0.50 0.00 0.00 175.29 177.12 3kyg n VAL 181 N -0.02 0.75 0.00 1.34 0.31 -1.26 -0.99 118.33 118.46 3kyg n VAL 181 Ca -0.09 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3kyg n VAL 181 Cb 0.53 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 2.21 3.35 3.76 2.92 0.00 0.68 -4.94 105.19 113.19 3kyg n GLY 182 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3kyg n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kyg s ASP 183 N -1.01 6.33 -0.40 1.61 1.01 -0.16 -4.55 116.67 119.49 3kyg s ASP 183 Ca 0.00 3.03 -0.18 0.00 0.71 0.00 0.00 52.55 56.11 3kyg s ASP 183 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 3kyg s ASP 183 CO 0.00 -0.92 0.48 -0.76 0.21 0.00 0.00 175.17 174.18 3kyg s LEU 184 N -1.27 4.63 0.45 1.23 1.43 -1.26 -0.92 118.68 122.98 3kyg s LEU 184 Ca 0.59 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3kyg s LEU 184 Cb -0.48 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 3kyg s LEU 184 CO 0.56 -0.57 0.03 0.68 0.23 0.00 0.00 176.35 177.28 3kyg s VAL 185 N 2.31 1.24 -0.06 -1.59 -7.23 -0.17 -4.85 120.40 110.05 3kyg s VAL 185 Ca 0.15 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3kyg s VAL 185 Cb -0.16 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.37 3kyg s VAL 185 CO 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.95 3kyg s ALA 186 N -2.94 0.56 -0.28 1.32 0.00 -0.71 -1.96 121.76 117.75 3kyg s ALA 186 Ca 0.18 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 3kyg s ALA 186 Cb 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3kyg s ALA 186 CO 0.09 -0.44 0.65 -0.51 0.00 0.00 0.00 175.76 175.55 3kyg s LEU 187 N 1.95 4.10 -0.55 0.00 1.43 -0.08 -0.52 118.68 125.02 3kyg s LEU 187 Ca 0.04 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 3kyg s LEU 187 Cb -0.12 -2.86 0.14 0.00 0.03 0.00 0.00 46.19 43.37 3kyg s LEU 187 CO -0.04 -0.45 0.47 -1.61 0.23 0.00 0.00 176.35 174.94 3kyg s GLU 188 N 2.60 2.83 -0.08 1.70 2.02 0.43 -1.36 118.70 126.84 3kyg s GLU 188 Ca 0.26 -1.87 -0.22 0.00 0.02 0.00 0.00 54.97 53.16 3kyg s GLU 188 Cb -0.15 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 3kyg s GLU 188 CO 0.10 -1.26 0.66 0.42 0.02 0.00 0.00 175.26 175.20 3kyg s ILE 189 N 1.23 5.07 0.19 -1.63 -1.09 -1.26 -0.51 121.20 123.20 3kyg s ILE 189 Ca 0.07 1.35 -0.32 0.00 -2.23 0.00 0.00 60.65 59.52 3kyg s ILE 189 Cb -0.25 -4.00 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 3kyg s ILE 189 CO -0.00 0.26 1.68 -0.36 -1.23 0.00 0.00 174.94 175.29 3kyg s PHE 190 N 0.82 2.93 -0.24 3.97 0.08 -0.90 -0.04 117.98 124.60 3kyg s PHE 190 Ca 0.35 0.41 0.20 0.00 0.12 0.00 0.00 56.93 58.02 3kyg s PHE 190 Cb -0.17 -4.08 0.06 0.00 -0.57 0.00 0.00 43.02 38.25 3kyg s PHE 190 CO 0.16 -4.08 1.18 0.66 -0.10 0.00 0.00 175.22 173.05 3kyg h SER 191 N 6.84 0.00 -2.90 1.36 4.64 -1.05 -3.44 113.55 119.00 3kyg h SER 191 Ca -0.43 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.34 3kyg h SER 191 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 3kyg h SER 191 CO 0.95 0.20 -0.76 1.51 -0.87 0.00 0.00 176.83 177.86 3kyg s ASP 192 N -5.81 3.07 0.00 4.97 -4.77 -1.25 -4.59 116.67 108.29 3kyg s ASP 192 Ca 0.01 -0.98 0.08 0.00 -3.30 0.00 0.00 52.55 48.37 3kyg s ASP 192 Cb 0.08 -0.22 0.45 0.00 -1.09 0.00 0.00 42.92 42.15 3kyg s ASP 192 CO 0.76 -0.03 1.02 0.18 0.70 0.00 0.00 175.17 177.80 3kyg n LEU 193 N -0.27 0.00 -1.06 2.11 7.99 -1.26 -2.82 117.00 121.69 3kyg n LEU 193 Ca -0.08 0.12 -0.03 0.00 -0.01 0.00 0.00 56.01 56.00 3kyg n LEU 193 Cb 0.59 -0.12 0.18 0.00 -0.11 0.00 0.00 43.42 43.96 3kyg n LEU 193 CO 0.34 -0.09 0.50 -1.14 -1.51 0.00 0.00 177.39 175.49 3kyg n ARG 194 N -1.12 1.97 0.00 3.23 0.63 -1.26 -5.05 116.66 115.06 3kyg n ARG 194 Ca 0.05 -3.38 0.00 0.00 -0.92 0.00 0.00 57.85 53.61 3kyg n ARG 194 Cb 0.04 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.15 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 -1.07 2.24 6.29 5.14 0.00 -1.13 -4.83 105.19 111.83 3kyg n GLY 195 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3kyg n GLY 195 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kyg n THR 196 N 0.00 0.00 -3.33 2.61 -1.04 -1.26 -4.33 114.28 106.93 3kyg n THR 196 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 3kyg n THR 196 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 3kyg n THR 196 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3kyg s LYS 197 N 0.00 3.50 0.10 -2.82 -2.85 -1.26 -5.02 119.74 111.39 3kyg s LYS 197 Ca 0.00 -0.29 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 3kyg s LYS 197 Cb 0.00 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.08 3kyg s LYS 197 CO 0.00 0.13 -0.07 0.95 0.10 0.00 0.00 175.35 176.46 3kyg s THR 198 N -2.33 0.75 0.57 3.79 -4.23 -1.26 -0.52 115.64 112.41 3kyg s THR 198 Ca 0.41 -1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 3kyg s THR 198 Cb -0.10 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 3kyg s THR 198 CO 0.36 -0.81 1.07 -0.36 -0.54 0.00 0.00 174.62 174.34 3kyg s PHE 199 N -3.38 2.89 0.27 3.99 0.08 0.94 -4.72 117.98 118.05 3kyg s PHE 199 Ca 0.11 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 3kyg s PHE 199 Cb 0.04 -3.09 -0.14 0.00 -0.57 0.00 0.00 43.02 39.26 3kyg s PHE 199 CO -0.04 -1.20 1.09 -2.30 -0.10 0.00 0.00 175.22 172.67 3kyg n PRO 200 N -1.74 1.43 -1.61 0.24 -0.02 -1.26 -4.39 135.00 127.64 3kyg n PRO 200 Ca 0.10 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.62 3kyg n PRO 200 Cb 0.52 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.01 1.52 -3.14 0.52 -0.04 -1.26 -4.86 135.00 128.75 3kyg n PRO 201 Ca 0.10 0.54 -0.45 0.00 -0.04 0.00 0.00 63.50 63.65 3kyg n PRO 201 Cb 0.31 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.28 5.61 -0.05 1.53 1.43 -0.46 -4.70 118.68 122.31 3kyg s LEU 202 Ca 0.64 -1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 3kyg s LEU 202 Cb -0.72 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 3kyg s LEU 202 CO 0.56 -1.02 0.33 0.42 0.23 0.00 0.00 176.35 176.87 3kyg s THR 203 N 2.26 5.18 -0.42 5.49 -4.23 -1.26 -0.90 115.64 121.75 3kyg s THR 203 Ca 0.14 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 3kyg s THR 203 Cb -0.21 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3kyg s THR 203 CO 0.02 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 3kyg n GLY 204 N 2.05 -1.25 3.69 3.99 0.00 -0.83 -1.48 105.19 111.36 3kyg n GLY 204 Ca -0.15 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.61 3.25 0.03 1.61 1.02 -0.35 -0.99 119.74 123.70 3kyg s LYS 205 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 3kyg s LYS 205 Cb 0.00 -2.93 -0.07 0.00 -0.52 0.00 0.00 37.83 34.31 3kyg s LYS 205 CO 0.00 0.62 1.58 0.42 -0.92 0.00 0.00 175.35 177.04 3kyg s ILE 206 N -0.63 3.34 -0.19 2.17 -1.09 -0.10 -1.36 121.20 123.34 3kyg s ILE 206 Ca 0.11 0.71 0.10 0.00 -2.23 0.00 0.00 60.65 59.34 3kyg s ILE 206 Cb -0.12 -3.46 -0.22 0.00 -1.58 0.00 0.00 42.46 37.08 3kyg s ILE 206 CO 0.02 -0.01 0.09 0.00 -1.23 0.00 0.00 174.94 173.81 3kyg s ASN 208 N -6.01 -0.48 0.05 0.00 2.20 -0.94 -4.89 114.94 104.87 3kyg s ASN 208 Ca -0.18 -0.10 -0.18 0.00 -0.94 0.00 0.00 52.86 51.47 3kyg s ASN 208 Cb 0.07 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.94 3kyg s ASN 208 CO 0.76 -0.96 0.40 -1.48 -2.94 0.00 0.00 177.10 172.87 3kyg s LEU 209 N -2.77 0.45 -0.05 3.54 2.34 -1.26 -1.07 118.68 119.85 3kyg s LEU 209 Ca 0.02 -0.03 0.01 0.00 0.06 0.00 0.00 54.13 54.18 3kyg s LEU 209 Cb -0.01 1.71 0.02 0.00 -0.56 0.00 0.00 46.19 47.35 3kyg s LEU 209 CO -0.12 -0.67 -0.05 -1.10 -1.06 0.00 0.00 176.35 173.36 3kyg s GLN 210 N -2.54 0.92 -0.00 1.48 1.11 -0.56 -5.00 119.66 115.06 3kyg s GLN 210 Ca -0.05 -0.11 -0.05 0.00 0.01 0.00 0.00 55.36 55.16 3kyg s GLN 210 Cb -0.01 -0.96 -0.00 0.00 -1.01 0.00 0.00 33.01 31.03 3kyg s GLN 210 CO -0.03 -0.12 0.09 0.50 0.01 0.00 0.00 175.29 175.75 3kyg s ARG 211 N 1.10 0.36 0.12 2.91 6.06 -1.26 -1.07 118.95 127.16 3kyg s ARG 211 Ca -0.08 -0.32 -0.03 0.00 -2.50 0.00 0.00 55.73 52.80 3kyg s ARG 211 Cb -0.14 0.15 0.01 0.00 0.06 0.00 0.00 34.95 35.03 3kyg s ARG 211 CO -0.01 -0.08 0.20 -1.13 -2.50 0.00 0.00 175.30 171.79 3kyg n SER 212 N 1.85 -0.58 0.27 -2.12 3.41 -0.54 -4.96 113.62 110.95 3kyg n SER 212 Ca -0.21 -1.54 0.16 0.00 -0.26 0.00 0.00 58.87 57.02 3kyg n SER 212 Cb 0.56 1.00 0.62 0.00 -0.26 0.00 0.00 64.21 66.13 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 -0.75 1.04 3.38 -2.01 -3.30 115.31 113.67 3kyg h LEU 213 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kyg h LEU 213 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kyg h LEU 213 CO 0.12 0.03 -0.13 1.41 0.09 0.00 0.00 178.44 179.97 3kyg n HIS 214 N -3.14 0.00 -3.90 1.13 8.25 -1.26 -4.73 115.22 111.57 3kyg n HIS 214 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3kyg n HIS 214 Cb 0.34 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.05 0.13 -0.27 4.41 3.76 -1.24 -4.64 115.29 116.39 3kyg s HIS 215 Ca 0.06 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3kyg s HIS 215 Cb 0.06 -0.10 0.15 0.00 1.11 0.00 0.00 32.58 33.80 3kyg s HIS 215 CO 0.17 -0.34 0.40 0.00 -0.85 0.00 0.00 174.74 174.13 3kyg s ALA 216 N -2.09 -1.20 0.09 -1.40 0.00 -1.26 -1.47 121.76 114.43 3kyg s ALA 216 Ca -0.09 0.59 0.09 0.00 0.00 0.00 0.00 51.96 52.55 3kyg s ALA 216 Cb -0.04 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 3kyg s ALA 216 CO -0.02 -1.52 -0.25 1.03 0.00 0.00 0.00 175.76 175.00 3kyg s ARG 217 N 2.56 1.44 0.01 0.00 0.52 -0.24 -1.96 118.95 121.29 3kyg s ARG 217 Ca 0.11 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 3kyg s ARG 217 Cb -0.14 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 3kyg s ARG 217 CO -0.24 0.43 -0.04 0.71 0.02 0.00 0.00 175.30 176.18 3kyg s TYR 218 N -0.97 0.36 -0.16 -0.53 2.02 0.28 -1.49 117.35 116.85 3kyg s TYR 218 Ca 0.11 -0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3kyg s TYR 218 Cb -0.10 -0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 41.21 3kyg s TYR 218 CO 0.04 -0.06 -0.05 0.20 -1.57 0.00 0.00 175.55 174.12 3kyg s GLY 219 N -0.67 1.68 -0.02 0.71 0.00 -0.23 -1.46 107.32 107.33 3kyg s GLY 219 Ca -0.05 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.85 3kyg s GLY 219 CO -0.00 0.00 -0.22 -2.27 0.00 0.00 0.00 173.10 170.61 3kyg s LEU 220 N 0.56 2.04 -0.21 0.66 2.96 0.44 -0.02 118.68 125.10 3kyg s LEU 220 Ca -0.04 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3kyg s LEU 220 Cb -0.15 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.38 3kyg s LEU 220 CO 0.03 0.26 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.59 3kyg s GLU 221 N -0.45 3.45 0.56 1.98 2.12 -0.46 -1.50 118.70 124.40 3kyg s GLU 221 Ca 0.07 -0.60 -0.19 0.00 0.36 0.00 0.00 54.97 54.61 3kyg s GLU 221 Cb -0.09 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 3kyg s GLU 221 CO -0.00 -0.13 1.13 -0.06 -0.54 0.00 0.00 175.26 175.66 3kyg s PHE 222 N 1.32 2.65 0.72 5.30 0.08 0.26 -1.21 117.98 127.11 3kyg s PHE 222 Ca 0.04 1.54 -0.04 0.00 0.12 0.00 0.00 56.93 58.59 3kyg s PHE 222 Cb -0.14 -3.28 0.15 0.00 -0.57 0.00 0.00 43.02 39.18 3kyg s PHE 222 CO -0.01 -1.61 0.98 0.27 -0.10 0.00 0.00 175.22 174.75 3kyg n ASN 223 N -1.47 0.89 -0.03 1.36 0.23 -0.55 -4.75 115.26 110.93 3kyg n ASN 223 Ca 0.11 -1.85 -0.10 0.00 -0.53 0.00 0.00 54.58 52.21 3kyg n ASN 223 Cb 0.51 -0.68 -0.04 0.00 -2.08 0.00 0.00 39.78 37.49 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 -0.37 -0.09 -3.83 4.81 -1.97 0.28 114.58 113.41 3kyg h GLU 224 Ca -0.32 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3kyg h GLU 224 Cb 1.09 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3kyg h GLU 224 CO 0.31 -0.25 -0.38 1.49 -0.73 0.00 0.00 179.01 179.44 3kyg h GLU 225 N -0.39 0.18 -0.98 1.92 4.81 -1.94 -2.60 114.58 115.58 3kyg h GLU 225 Ca 0.11 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3kyg h GLU 225 Cb 0.57 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3kyg h GLU 225 CO -0.42 0.54 0.65 0.78 -0.73 0.00 0.00 179.01 179.83 3kyg h GLY 226 N 1.18 1.41 1.40 1.92 0.00 -1.47 0.55 103.07 108.06 3kyg h GLY 226 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kyg h GLY 226 CO 0.06 0.45 0.30 3.21 0.00 0.00 0.00 176.54 180.57 3kyg h ARG 227 N 1.27 0.79 -0.43 4.80 3.08 -0.59 -1.64 114.38 121.65 3kyg h ARG 227 Ca 0.38 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 3kyg h ARG 227 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3kyg h ARG 227 CO -0.10 0.59 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.24 3kyg h ASN 228 N 0.80 0.90 1.22 7.04 -1.24 -0.78 -2.51 115.58 121.01 3kyg h ASN 228 Ca 0.20 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.82 3kyg h ASN 228 Cb 0.03 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.84 3kyg h ASN 228 CO -0.03 1.09 0.00 0.78 -1.29 0.00 0.00 177.43 177.98 3kyg h ASN 229 N 0.71 0.00 -0.03 1.15 2.35 -0.73 -1.66 115.58 117.38 3kyg h ASN 229 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3kyg h ASN 229 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3kyg h ASN 229 CO 0.06 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 175.58 3kyg h ALA 230 N 2.08 0.08 -0.23 -0.83 0.00 -1.16 0.89 119.26 120.08 3kyg h ALA 230 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3kyg h ALA 230 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kyg h ALA 230 CO 0.00 0.10 0.14 -0.22 0.00 0.00 0.00 179.25 179.27 3kyg h LYS 231 N -0.35 0.28 -0.27 0.00 3.64 -1.23 -0.01 116.57 118.64 3kyg h LYS 231 Ca -0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3kyg h LYS 231 Cb 0.95 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3kyg h LYS 231 CO 0.05 0.19 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.49 3kyg h ASN 232 N 0.29 0.37 0.12 4.20 -0.26 -1.31 -1.62 115.58 117.37 3kyg h ASN 232 Ca 0.09 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3kyg h ASN 232 Cb -0.02 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3kyg h ASN 232 CO -0.03 0.45 -0.06 0.25 -1.06 0.00 0.00 177.43 176.98 3kyg h LEU 233 N 0.39 -0.13 -0.44 1.61 6.46 -0.41 -3.10 115.31 119.68 3kyg h LEU 233 Ca 0.09 -0.42 0.07 0.00 -0.12 0.00 0.00 57.88 57.49 3kyg h LEU 233 Cb 0.29 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.16 3kyg h LEU 233 CO 0.01 0.42 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.74 3kyg h LEU 234 N -0.75 -1.46 -2.03 2.25 3.38 -0.82 0.20 115.31 116.07 3kyg h LEU 234 Ca -0.02 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3kyg h LEU 234 Cb 0.55 0.64 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3kyg h LEU 234 CO 0.03 -0.36 0.39 0.00 0.09 0.00 0.00 178.44 178.59 3kyg h ALA 235 N 0.44 2.13 -0.14 1.53 0.00 -1.37 0.45 119.26 122.30 3kyg h ALA 235 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kyg h ALA 235 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kyg h ALA 235 CO -0.60 -0.60 0.00 1.04 0.00 0.00 0.00 179.25 179.10 3kyg n GLN 236 N -3.84 1.54 -3.94 0.00 6.02 0.05 -4.89 117.38 112.31 3kyg n GLN 236 Ca 0.07 -0.81 -0.30 0.00 -0.01 0.00 0.00 57.00 55.95 3kyg n GLN 236 Cb 0.57 -1.34 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 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 -1.48 4.29 -0.21 1.08 1.43 0.16 -4.63 118.68 119.32 3kyg s LEU 237 Ca 0.29 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 3kyg s LEU 237 Cb 0.15 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3kyg s LEU 237 CO 0.23 0.14 0.17 -0.75 0.23 0.00 0.00 176.35 176.36 3kyg s LYS 238 N -2.70 4.16 0.34 1.70 2.20 0.08 -4.91 119.74 120.62 3kyg s LYS 238 Ca 0.34 -0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.57 3kyg s LYS 238 Cb -0.12 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 3kyg s LYS 238 CO 0.27 0.20 0.84 0.12 -0.36 0.00 0.00 175.35 176.42 3kyg s PHE 239 N 0.64 3.44 -0.32 4.03 5.36 -1.26 0.26 117.98 130.12 3kyg s PHE 239 Ca 0.09 1.46 0.17 0.00 -0.96 0.00 0.00 56.93 57.69 3kyg s PHE 239 Cb -0.12 -2.71 0.47 0.00 -0.34 0.00 0.00 43.02 40.31 3kyg s PHE 239 CO 0.01 0.08 1.01 -1.71 -1.46 0.00 0.00 175.22 173.15 3kyg n ASN 240 N -0.16 1.93 0.00 6.13 5.15 -0.29 -4.89 115.26 123.13 3kyg n ASN 240 Ca 0.04 -2.71 0.00 0.00 -0.60 0.00 0.00 54.58 51.30 3kyg n ASN 240 Cb 0.53 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 3kyg n ASN 240 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kyg n GLY 241 N -0.23 1.02 0.20 8.20 0.00 -1.26 -4.10 105.19 109.02 3kyg n GLY 241 Ca 0.13 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 3kyg n GLY 241 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kyg n THR 242 N 0.00 1.00 -4.31 2.61 5.66 -1.26 -5.07 114.28 112.92 3kyg n THR 242 Ca 0.00 -0.34 -0.17 0.00 -3.05 0.00 0.00 64.05 60.49 3kyg n THR 242 Cb 0.00 -1.34 -0.09 0.00 -1.55 0.00 0.00 70.33 67.35 3kyg n THR 242 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kyg s LYS 243 N -2.34 1.52 0.33 1.09 1.02 -1.26 -4.76 119.74 115.34 3kyg s LYS 243 Ca -0.24 -1.86 0.01 0.00 0.02 0.00 0.00 55.97 53.90 3kyg s LYS 243 Cb 0.07 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 3kyg s LYS 243 CO 0.38 -0.44 0.52 -0.51 -0.92 0.00 0.00 175.35 174.37 3kyg s LEU 244 N -3.33 4.05 0.07 3.17 1.43 -1.11 -1.14 118.68 121.82 3kyg s LEU 244 Ca 0.37 0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.79 3kyg s LEU 244 Cb 0.05 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3kyg s LEU 244 CO 0.17 -0.26 0.19 0.28 0.23 0.00 0.00 176.35 176.96 3kyg s THR 245 N -2.27 0.13 0.98 5.49 -1.32 0.14 -4.56 115.64 114.23 3kyg s THR 245 Ca 0.39 -1.09 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 3kyg s THR 245 Cb -0.10 -1.22 0.25 0.00 -1.51 0.00 0.00 72.50 69.93 3kyg s THR 245 CO 0.35 -0.60 0.70 0.18 -2.21 0.00 0.00 174.62 173.04 3kyg n LEU 246 N 0.15 0.00 0.00 9.08 4.77 -1.26 -0.74 117.00 129.00 3kyg n LEU 246 Ca -0.16 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3kyg n LEU 246 Cb 0.61 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3kyg n LEU 246 CO 0.22 -2.18 0.00 0.59 -1.33 0.00 0.00 177.39 174.70