#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kad s PRO 8 N 0.00 0.49 0.07 3.23 0.02 -1.26 -4.86 135.00 132.68 3kad s PRO 8 Ca 0.00 0.57 -0.37 0.00 0.02 0.00 0.00 61.00 61.21 3kad s PRO 8 Cb 0.00 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.61 3kad s PRO 8 CO 0.00 -2.71 1.29 -2.30 -0.33 0.00 0.00 177.00 172.96 3kad n PRO 9 N -4.17 0.92 0.00 5.54 -0.02 -1.26 -2.24 135.00 133.78 3kad n PRO 9 Ca 0.05 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3kad n PRO 9 Cb 0.57 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3kad n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kad n GLY 10 N 2.34 3.29 3.79 -1.23 0.00 -1.26 -4.93 105.19 107.19 3kad n GLY 10 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3kad n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kad s TRP 11 N -2.47 3.77 0.05 1.61 0.52 -0.95 -1.15 118.94 120.31 3kad s TRP 11 Ca 0.00 1.27 0.03 0.00 0.02 0.00 0.00 56.10 57.42 3kad s TRP 11 Cb 0.00 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 3kad s TRP 11 CO 0.00 0.49 -0.09 -1.21 0.02 0.00 0.00 176.95 176.16 3kad s GLU 12 N -0.75 0.59 0.20 4.98 0.41 0.63 -4.82 118.70 119.94 3kad s GLU 12 Ca 0.30 -0.80 -0.20 0.00 -0.41 0.00 0.00 54.97 53.86 3kad s GLU 12 Cb -0.19 -0.41 -0.08 0.00 -1.78 0.00 0.00 34.13 31.67 3kad s GLU 12 CO 0.19 0.08 0.71 0.21 -0.49 0.00 0.00 175.26 175.96 3kad s LYS 13 N -1.61 4.27 0.25 1.61 2.20 -1.26 -1.17 119.74 124.03 3kad s LYS 13 Ca -0.08 0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 56.35 3kad s LYS 13 Cb -0.10 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3kad s LYS 13 CO 0.01 0.43 0.33 0.00 -0.36 0.00 0.00 175.35 175.76 3kad s ALA 14 N -1.45 0.60 -0.20 3.13 0.00 -0.05 -4.94 121.76 118.83 3kad s ALA 14 Ca 0.41 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3kad s ALA 14 Cb -0.17 1.23 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 3kad s ALA 14 CO 0.21 -0.73 0.04 1.41 0.00 0.00 0.00 175.76 176.70 3kad s MET 15 N -3.88 3.79 0.18 0.00 1.75 -1.26 -1.26 119.30 118.63 3kad s MET 15 Ca 0.31 -0.43 -0.30 0.00 -1.25 0.00 0.00 55.69 54.02 3kad s MET 15 Cb 0.03 -3.19 -0.08 0.00 2.84 0.00 0.00 34.83 34.43 3kad s MET 15 CO 0.13 0.09 1.16 0.45 -0.65 0.00 0.00 175.02 176.21 3kad s SER 16 N 0.84 7.15 0.13 1.11 0.15 0.66 -4.89 113.70 118.85 3kad s SER 16 Ca 0.03 2.18 0.12 0.00 0.70 0.00 0.00 55.95 58.98 3kad s SER 16 Cb -0.14 -2.61 -0.12 0.00 -1.71 0.00 0.00 66.02 61.45 3kad s SER 16 CO 0.02 -0.32 1.15 0.08 1.20 0.00 0.00 173.24 175.37 3kad h ARG 17 N 5.18 0.00 0.16 5.44 0.11 -1.97 -2.39 114.38 120.92 3kad h ARG 17 Ca -0.44 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 3kad h ARG 17 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3kad h ARG 17 CO 0.74 0.65 -0.08 1.03 0.10 0.00 0.00 179.97 182.41 3kad h SER 18 N 0.00 -0.18 0.01 0.08 0.87 -1.96 -3.40 113.55 108.97 3kad h SER 18 Ca -0.08 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3kad h SER 18 Cb 1.67 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 3kad h SER 18 CO 0.09 0.37 -1.46 -1.54 -0.53 0.00 0.00 176.83 173.76 3kad n SER 19 N -4.92 0.53 0.00 6.23 3.41 -1.25 -4.97 113.62 112.64 3kad n SER 19 Ca -0.08 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 3kad n SER 19 Cb 0.26 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 3kad n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kad n GLY 20 N 1.39 0.95 3.82 5.00 0.00 -0.90 -5.03 105.19 110.42 3kad n GLY 20 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kad n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kad s ARG 21 N -0.03 4.20 0.46 1.61 0.52 -1.26 -4.69 118.95 119.76 3kad s ARG 21 Ca 0.00 0.90 -0.24 0.00 -0.52 0.00 0.00 55.73 55.88 3kad s ARG 21 Cb 0.00 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 3kad s ARG 21 CO 0.00 0.20 1.26 0.08 0.02 0.00 0.00 175.30 176.86 3kad s VAL 22 N -1.85 2.70 0.35 3.52 1.01 -1.26 -0.24 120.40 124.64 3kad s VAL 22 Ca 0.52 0.56 0.06 0.00 0.00 0.00 0.00 61.98 63.12 3kad s VAL 22 Cb -0.13 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3kad s VAL 22 CO 0.18 0.02 0.24 0.00 0.00 0.00 0.00 175.10 175.54 3kad n TYR 23 N -0.41 -0.48 -4.48 5.22 0.18 -0.39 -4.79 117.16 112.02 3kad n TYR 23 Ca 0.07 -2.72 -0.21 0.00 1.88 0.00 0.00 57.90 56.92 3kad n TYR 23 Cb 0.46 0.19 -0.15 0.00 -0.38 0.00 0.00 39.34 39.46 3kad n TYR 23 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3kad s TYR 24 N -3.26 1.05 0.03 -3.48 1.51 0.12 -0.87 117.35 112.45 3kad s TYR 24 Ca 0.33 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3kad s TYR 24 Cb 0.02 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 3kad s TYR 24 CO 0.24 -0.07 -0.02 -0.59 -1.11 0.00 0.00 175.55 173.99 3kad s PHE 25 N 0.00 0.38 -0.19 2.71 -0.71 -0.31 -1.32 117.98 118.53 3kad s PHE 25 Ca -0.00 -0.78 0.01 0.00 -1.04 0.00 0.00 56.93 55.12 3kad s PHE 25 Cb -0.07 -0.28 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 3kad s PHE 25 CO 0.00 -0.29 -0.16 1.21 -1.34 0.00 0.00 175.22 174.64 3kad s ASN 26 N -2.17 3.36 0.00 1.98 3.84 -0.33 -0.27 114.94 121.34 3kad s ASN 26 Ca -0.05 -0.80 0.29 0.00 0.21 0.00 0.00 52.86 52.51 3kad s ASN 26 Cb -0.01 -1.42 1.22 0.00 -0.55 0.00 0.00 41.25 40.48 3kad s ASN 26 CO -0.05 -0.06 1.89 0.00 -2.79 0.00 0.00 177.10 176.08 3kad n HIS 27 N 4.61 0.00 0.00 0.43 1.44 -0.30 -0.24 115.22 121.16 3kad n HIS 27 Ca -0.18 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.35 3kad n HIS 27 Cb 0.48 -0.38 -0.14 0.00 0.12 0.00 0.00 29.99 30.07 3kad n HIS 27 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3kad h ILE 28 N 0.07 0.73 -0.01 0.61 2.04 -1.92 -3.40 117.51 115.63 3kad h ILE 28 Ca 0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3kad h ILE 28 Cb 0.43 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3kad h ILE 28 CO 0.00 0.77 -0.64 0.35 0.00 0.00 0.00 178.15 178.64 3kad n THR 29 N -3.36 0.00 -1.59 -0.27 -2.24 -1.20 -4.30 114.28 101.32 3kad n THR 29 Ca -0.26 -0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 3kad n THR 29 Cb 1.05 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 70.28 3kad n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kad n ASN 30 N -0.87 -5.37 -4.79 3.42 5.03 0.67 -0.34 115.26 113.01 3kad n ASN 30 Ca 0.05 0.50 -0.35 0.00 0.87 0.00 0.00 54.58 55.65 3kad n ASN 30 Cb 0.32 -4.75 -0.03 0.00 -1.02 0.00 0.00 39.78 34.30 3kad n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kad s ALA 31 N -2.72 2.92 -0.03 5.41 0.00 -1.23 -3.31 121.76 122.80 3kad s ALA 31 Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.59 3kad s ALA 31 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3kad s ALA 31 CO 0.00 -0.41 0.19 -1.54 0.00 0.00 0.00 175.76 174.01 3kad s SER 32 N -1.73 -0.11 -0.00 0.00 1.04 -1.26 -1.19 113.70 110.44 3kad s SER 32 Ca 0.65 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.88 3kad s SER 32 Cb -0.21 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.30 3kad s SER 32 CO 0.25 -0.26 0.69 0.00 0.98 0.00 0.00 173.24 174.90 3kad s GLN 33 N -0.76 1.08 0.23 4.02 -2.07 -0.43 -5.01 119.66 116.72 3kad s GLN 33 Ca -0.08 0.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.48 3kad s GLN 33 Cb -0.05 0.50 0.25 0.00 -1.09 0.00 0.00 33.01 32.63 3kad s GLN 33 CO 0.01 -0.38 1.68 -1.49 -1.32 0.00 0.00 175.29 173.80 3kad h TRP 34 N 2.69 0.83 -3.92 9.60 4.06 -1.89 0.36 115.95 127.69 3kad h TRP 34 Ca -0.28 -0.16 -0.48 0.00 2.06 0.00 0.00 58.89 60.02 3kad h TRP 34 Cb 1.19 -0.21 0.01 0.00 -1.00 0.00 0.00 29.16 29.14 3kad h TRP 34 CO 0.33 0.85 0.40 -1.21 -3.56 0.00 0.00 178.44 175.26 3kad s GLU 35 N -4.72 4.35 0.15 0.49 8.01 -1.26 -4.57 118.70 121.16 3kad s GLU 35 Ca -0.09 1.50 -0.31 0.00 0.01 0.00 0.00 54.97 56.08 3kad s GLU 35 Cb 0.14 -2.71 -0.09 0.00 -4.31 0.00 0.00 34.13 27.16 3kad s GLU 35 CO 0.82 0.03 1.44 0.50 0.01 0.00 0.00 175.26 178.06 3kad s ARG 36 N -2.22 4.29 0.46 1.61 3.52 -1.26 -4.71 118.95 120.63 3kad s ARG 36 Ca 0.54 2.18 -0.24 0.00 -0.13 0.00 0.00 55.73 58.08 3kad s ARG 36 Cb -0.22 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 29.90 3kad s ARG 36 CO 0.28 -0.47 1.26 -1.25 -0.81 0.00 0.00 175.30 174.31 3kad s PRO 37 N 0.80 3.70 0.00 5.12 0.04 -1.26 -5.17 135.00 138.24 3kad s PRO 37 Ca 0.65 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3kad s PRO 37 Cb -0.39 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3kad s PRO 37 CO 0.33 -0.66 0.00 -1.13 0.04 0.00 0.00 177.00 175.57 3kad n SER 38 N -0.37 0.00 -4.24 6.66 3.41 -1.26 -4.88 113.62 112.94 3kad n SER 38 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.35 3kad n SER 38 Cb 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 3kad n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kad s GLU 51 N -1.69 3.13 0.61 4.33 2.12 -1.26 -5.20 118.70 120.74 3kad s GLU 51 Ca 0.00 -0.82 -0.18 0.00 0.36 0.00 0.00 54.97 54.33 3kad s GLU 51 Cb 0.00 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 3kad s GLU 51 CO 0.00 0.11 1.19 -1.25 -0.54 0.00 0.00 175.26 174.77 3kad s PRO 52 N 0.53 2.89 0.20 4.30 0.04 -1.26 -4.98 135.00 136.71 3kad s PRO 52 Ca -0.12 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3kad s PRO 52 Cb -0.17 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.58 3kad s PRO 52 CO 0.04 -1.25 1.51 0.00 0.04 0.00 0.00 177.00 177.34 3kad h ALA 53 N 0.66 0.72 -3.34 8.56 0.00 -2.02 -3.46 119.26 120.37 3kad h ALA 53 Ca -0.50 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 53.59 3kad h ALA 53 Cb 1.29 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 3kad h ALA 53 CO 0.54 0.70 -0.74 1.03 0.00 0.00 0.00 179.25 180.78 3kad s ARG 54 N -3.93 0.56 0.12 0.00 0.52 -1.26 -4.09 118.95 110.87 3kad s ARG 54 Ca -0.07 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 3kad s ARG 54 Cb 0.11 -0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 3kad s ARG 54 CO 0.83 0.08 -0.14 0.14 0.02 0.00 0.00 175.30 176.24 3kad s VAL 55 N -1.14 1.30 -0.15 3.52 -7.23 -0.69 -4.94 120.40 111.06 3kad s VAL 55 Ca -0.07 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 3kad s VAL 55 Cb -0.09 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3kad s VAL 55 CO 0.01 -0.44 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.67 3kad s ARG 56 N -2.74 3.49 0.10 4.82 3.52 -0.60 -0.19 118.95 127.35 3kad s ARG 56 Ca 0.09 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 3kad s ARG 56 Cb -0.04 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3kad s ARG 56 CO 0.03 0.18 -0.11 0.00 -0.81 0.00 0.00 175.30 174.59 3kad s SER 58 N -2.39 4.75 0.19 0.00 0.01 -0.02 -1.34 113.70 114.89 3kad s SER 58 Ca 0.06 -0.65 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 3kad s SER 58 Cb -0.04 -0.86 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 3kad s SER 58 CO 0.01 -0.15 0.36 -1.38 0.41 0.00 0.00 173.24 172.49 3kad s HIS 59 N -2.35 0.35 -0.18 2.43 -3.43 -0.36 -0.14 115.29 111.60 3kad s HIS 59 Ca 0.35 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 3kad s HIS 59 Cb -0.05 0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.19 3kad s HIS 59 CO 0.22 -0.81 -0.09 -1.17 -2.00 0.00 0.00 174.74 170.89 3kad s LEU 60 N -2.97 1.99 -0.20 5.38 0.20 -0.27 -4.43 118.68 118.38 3kad s LEU 60 Ca 0.18 -0.78 -0.13 0.00 0.69 0.00 0.00 54.13 54.09 3kad s LEU 60 Cb 0.02 -1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 44.62 3kad s LEU 60 CO 0.02 -0.15 0.27 -0.22 -0.29 0.00 0.00 176.35 175.98 3kad s LEU 61 N 1.49 4.17 -0.21 -0.68 2.96 -1.26 -1.18 118.68 123.96 3kad s LEU 61 Ca -0.00 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3kad s LEU 61 Cb -0.16 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.23 3kad s LEU 61 CO -0.08 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.21 3kad s VAL 62 N 0.92 2.98 0.51 1.68 1.01 0.59 0.12 120.40 128.21 3kad s VAL 62 Ca 0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3kad s VAL 62 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3kad s VAL 62 CO 0.05 0.44 0.81 -0.54 0.00 0.00 0.00 175.10 175.86 3kad s LYS 63 N 1.42 3.40 0.31 2.72 1.02 -1.26 -0.55 119.74 126.79 3kad s LYS 63 Ca 0.05 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.22 3kad s LYS 63 Cb -0.14 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3kad s LYS 63 CO -0.06 -0.32 0.31 -3.38 -0.92 0.00 0.00 175.35 170.97 3kad s HIS 64 N -2.80 1.43 0.59 3.18 -3.43 -1.26 -4.82 115.29 108.17 3kad s HIS 64 Ca 0.49 -1.49 0.29 0.00 -0.80 0.00 0.00 55.06 53.55 3kad s HIS 64 Cb -0.10 -0.50 1.78 0.00 -1.43 0.00 0.00 32.58 32.33 3kad s HIS 64 CO 0.45 -0.90 2.24 0.66 -2.00 0.00 0.00 174.74 175.19 3kad h SER 65 N 2.23 0.00 0.08 7.38 4.64 -1.19 -1.03 113.55 125.65 3kad h SER 65 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kad h SER 65 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kad h SER 65 CO 0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 176.28 3kad n GLN 66 N -3.88 1.36 -1.12 4.77 6.02 -1.26 -4.83 117.38 118.44 3kad n GLN 66 Ca -0.03 -0.76 -0.34 0.00 -0.01 0.00 0.00 57.00 55.87 3kad n GLN 66 Cb 0.11 -1.48 0.12 0.00 1.02 0.00 0.00 30.24 30.00 3kad n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3kad n SER 67 N -0.16 0.70 -0.16 1.08 7.64 -0.39 -4.91 113.62 117.42 3kad n SER 67 Ca 0.17 0.58 -0.03 0.00 1.01 0.00 0.00 58.87 60.60 3kad n SER 67 Cb 0.34 -1.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.10 3kad n SER 67 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3kad h ARG 68 N -0.86 -0.03 -3.23 1.43 2.43 -0.79 -3.31 114.38 110.01 3kad h ARG 68 Ca -0.46 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.09 3kad h ARG 68 Cb 1.30 0.01 -0.40 0.00 -0.42 0.00 0.00 29.97 30.46 3kad h ARG 68 CO 0.45 -0.02 -0.69 0.50 -1.51 0.00 0.00 179.97 178.70 3kad s ARG 69 N -6.20 1.55 -1.32 0.20 3.52 -1.26 -5.03 118.95 110.41 3kad s ARG 69 Ca -0.14 -2.21 -0.09 0.00 -0.13 0.00 0.00 55.73 53.15 3kad s ARG 69 Cb 0.17 -2.75 -0.07 0.00 -1.56 0.00 0.00 34.95 30.74 3kad s ARG 69 CO 0.72 -1.13 2.54 -0.35 -0.81 0.00 0.00 175.30 176.28 3kad n PRO 70 N 3.44 2.94 -3.76 5.12 -0.04 -1.25 -4.73 135.00 136.73 3kad n PRO 70 Ca 0.07 -1.95 -0.13 0.00 -0.04 0.00 0.00 63.50 61.44 3kad n PRO 70 Cb 0.34 -2.72 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 3kad n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kad s SER 71 N 2.85 -0.28 0.32 3.54 0.15 -1.26 -1.05 113.70 117.97 3kad s SER 71 Ca 0.56 0.41 -0.08 0.00 0.70 0.00 0.00 55.95 57.54 3kad s SER 71 Cb 0.15 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3kad s SER 71 CO -0.04 -0.27 0.54 -0.94 1.20 0.00 0.00 173.24 173.73 3kad s SER 72 N -0.51 0.44 0.57 5.45 1.04 -0.02 -4.98 113.70 115.69 3kad s SER 72 Ca -0.06 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 55.40 3kad s SER 72 Cb -0.04 0.68 1.49 0.00 0.10 0.00 0.00 66.02 68.25 3kad s SER 72 CO 0.02 -1.33 1.93 4.11 0.98 0.00 0.00 173.24 178.95 3kad h TRP 73 N 2.13 0.00 0.10 5.02 5.08 -1.93 -2.07 115.95 124.28 3kad h TRP 73 Ca -0.28 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.43 3kad h TRP 73 Cb 1.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3kad h TRP 73 CO 1.14 0.00 -1.19 0.00 -1.28 0.00 0.00 178.44 177.11 3kad h ARG 74 N 0.00 0.22 -2.55 0.12 3.08 -1.91 -3.46 114.38 109.88 3kad h ARG 74 Ca 0.23 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3kad h ARG 74 Cb 1.14 0.14 -0.27 0.00 0.08 0.00 0.00 29.97 31.06 3kad h ARG 74 CO -0.00 1.18 -0.35 -1.14 -1.07 0.00 0.00 179.97 178.58 3kad s GLN 75 N -2.67 0.34 0.21 0.04 0.74 -0.78 -5.04 119.66 112.50 3kad s GLN 75 Ca -0.03 0.97 -0.07 0.00 0.05 0.00 0.00 55.36 56.28 3kad s GLN 75 Cb 0.08 0.23 0.15 0.00 1.10 0.00 0.00 33.01 34.57 3kad s GLN 75 CO 0.87 -0.23 1.69 1.49 -0.55 0.00 0.00 175.29 178.57 3kad h GLU 76 N 7.89 1.03 -4.78 1.67 4.81 -1.91 -0.02 114.58 123.27 3kad h GLU 76 Ca -0.21 -0.29 -0.64 0.00 -0.13 0.00 0.00 59.36 58.09 3kad h GLU 76 Cb 1.13 -0.11 -0.36 0.00 0.63 0.00 0.00 28.75 30.03 3kad h GLU 76 CO 0.17 0.98 -0.83 0.21 -0.73 0.00 0.00 179.01 178.80 3kad s LYS 77 N -5.10 2.42 -0.21 1.92 2.20 -1.26 -4.39 119.74 115.31 3kad s LYS 77 Ca -0.11 -0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 54.44 3kad s LYS 77 Cb 0.14 -2.44 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 3kad s LYS 77 CO 0.84 -0.33 0.72 0.42 -0.36 0.00 0.00 175.35 176.64 3kad s ILE 78 N 1.35 4.94 -0.06 5.43 -1.09 -0.22 -4.92 121.20 126.62 3kad s ILE 78 Ca 0.01 1.35 0.02 0.00 -2.23 0.00 0.00 60.65 59.80 3kad s ILE 78 Cb -0.15 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 3kad s ILE 78 CO -0.10 0.03 0.06 0.35 -1.23 0.00 0.00 174.94 174.06 3kad n THR 79 N 4.93 0.00 -1.59 2.92 -2.24 -1.26 -4.14 114.28 112.90 3kad n THR 79 Ca 0.02 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 61.04 3kad n THR 79 Cb 0.49 0.90 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3kad n THR 79 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3kad n ARG 80 N -1.13 0.83 -1.58 -0.78 1.85 -1.26 -4.53 116.66 110.05 3kad n ARG 80 Ca 0.00 0.33 -0.29 0.00 -1.00 0.00 0.00 57.85 56.89 3kad n ARG 80 Cb 0.03 -2.20 0.12 0.00 -1.05 0.00 0.00 32.46 29.35 3kad n ARG 80 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kad s THR 81 N -1.55 2.26 0.27 8.89 -4.23 -1.26 -0.93 115.64 119.09 3kad s THR 81 Ca 0.77 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.35 3kad s THR 81 Cb -0.40 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 70.85 3kad s THR 81 CO 0.46 -0.11 1.86 0.50 -0.54 0.00 0.00 174.62 176.79 3kad h LYS 82 N -1.35 1.05 -0.41 3.99 3.64 -1.93 0.34 116.57 121.89 3kad h LYS 82 Ca -0.49 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.76 3kad h LYS 82 Cb 1.32 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3kad h LYS 82 CO 0.62 0.69 -0.01 1.49 -2.27 0.00 0.00 179.45 179.98 3kad h GLU 83 N 1.08 0.73 -0.45 1.90 4.57 -1.99 0.12 114.58 120.54 3kad h GLU 83 Ca 0.46 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3kad h GLU 83 Cb 0.32 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3kad h GLU 83 CO -0.22 0.82 0.01 0.93 -1.18 0.00 0.00 179.01 179.37 3kad h GLU 84 N 0.56 0.72 -0.72 1.92 5.08 -1.77 -1.64 114.58 118.73 3kad h GLU 84 Ca 0.12 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kad h GLU 84 Cb 0.49 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3kad h GLU 84 CO 0.02 0.72 0.34 0.00 -1.00 0.00 0.00 179.01 179.09 3kad h ALA 85 N 1.34 0.93 -0.63 3.43 0.00 -0.56 -1.89 119.26 121.88 3kad h ALA 85 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kad h ALA 85 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kad h ALA 85 CO 0.01 0.50 0.09 1.25 0.00 0.00 0.00 179.25 181.10 3kad h LEU 86 N 1.01 1.01 -0.90 0.00 5.85 -0.70 -1.24 115.31 120.35 3kad h LEU 86 Ca 0.25 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3kad h LEU 86 Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kad h LEU 86 CO -0.03 1.03 0.37 -0.08 -0.34 0.00 0.00 178.44 179.39 3kad h GLU 87 N 0.96 1.17 0.01 1.25 4.81 -1.13 0.11 114.58 121.76 3kad h GLU 87 Ca 0.19 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kad h GLU 87 Cb 0.46 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kad h GLU 87 CO 0.02 0.91 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.13 3kad h LEU 88 N 1.15 -0.01 -0.39 1.64 3.38 -0.99 -1.56 115.31 118.53 3kad h LEU 88 Ca 0.28 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3kad h LEU 88 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3kad h LEU 88 CO -0.03 0.01 0.06 0.40 0.09 0.00 0.00 178.44 178.98 3kad h ILE 89 N -0.03 0.78 -0.61 1.22 1.08 -1.04 -0.42 117.51 118.48 3kad h ILE 89 Ca -0.00 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3kad h ILE 89 Cb 0.03 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3kad h ILE 89 CO 0.00 0.03 0.34 0.78 -0.69 0.00 0.00 178.15 178.62 3kad h ASN 90 N 0.18 0.75 -0.25 1.72 2.35 -0.84 -0.43 115.58 119.06 3kad h ASN 90 Ca 0.19 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 3kad h ASN 90 Cb 0.23 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3kad h ASN 90 CO -0.26 0.60 -0.53 1.23 -1.65 0.00 0.00 177.43 176.82 3kad h GLY 91 N 0.91 0.88 1.04 2.83 0.00 -0.82 -1.80 103.07 106.11 3kad h GLY 91 Ca 0.22 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 3kad h GLY 91 CO -0.04 0.95 0.12 -0.97 0.00 0.00 0.00 176.54 176.60 3kad h TYR 92 N 0.56 1.10 -0.77 5.60 0.99 -0.67 -1.49 116.97 122.28 3kad h TYR 92 Ca 0.01 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.59 3kad h TYR 92 Cb 1.14 -0.30 -0.04 0.00 1.00 0.00 0.00 36.73 38.53 3kad h TYR 92 CO 0.08 0.93 0.50 0.82 -0.00 0.00 0.00 178.16 180.48 3kad h ILE 93 N 0.95 1.21 -0.41 -2.88 2.04 -1.02 0.13 117.51 117.52 3kad h ILE 93 Ca 0.19 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3kad h ILE 93 Cb 0.41 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3kad h ILE 93 CO 0.01 0.20 0.26 1.56 0.00 0.00 0.00 178.15 180.18 3kad h GLN 94 N 1.05 0.51 -0.33 2.37 4.20 -0.99 0.19 115.11 122.10 3kad h GLN 94 Ca 0.28 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 3kad h GLN 94 Cb -0.10 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3kad h GLN 94 CO -0.06 0.33 -0.16 0.87 -0.67 0.00 0.00 178.83 179.15 3kad h LYS 95 N 0.52 0.60 -0.30 1.46 1.57 -0.91 -1.26 116.57 118.25 3kad h LYS 95 Ca 0.16 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3kad h LYS 95 Cb -0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kad h LYS 95 CO -0.06 0.74 -0.32 0.82 -0.57 0.00 0.00 179.45 180.06 3kad h ILE 96 N 0.54 1.30 -0.26 1.86 2.04 -0.45 -0.78 117.51 121.77 3kad h ILE 96 Ca 0.09 -1.50 -0.12 0.00 1.00 0.00 0.00 64.86 64.34 3kad h ILE 96 Cb 0.59 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3kad h ILE 96 CO 0.04 0.48 -0.34 0.11 0.00 0.00 0.00 178.15 178.44 3kad h LYS 97 N 0.51 0.55 0.00 2.37 1.57 -0.50 -2.54 116.57 118.53 3kad h LYS 97 Ca 0.05 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kad h LYS 97 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3kad h LYS 97 CO 0.08 0.82 0.00 -1.13 -0.57 0.00 0.00 179.45 178.65 3kad n SER 98 N -4.06 0.53 0.00 0.86 3.41 -0.49 -4.91 113.62 108.96 3kad n SER 98 Ca -0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3kad n SER 98 Cb 0.47 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3kad n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kad n GLY 99 N 0.81 0.57 0.25 5.00 0.00 -0.96 -4.92 105.19 105.94 3kad n GLY 99 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kad n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kad h GLU 100 N 1.31 0.80 -4.62 1.61 4.81 -1.43 -3.45 114.58 113.61 3kad h GLU 100 Ca 0.00 -0.46 -0.27 0.00 -0.13 0.00 0.00 59.36 58.50 3kad h GLU 100 Cb 0.00 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 29.22 3kad h GLU 100 CO 0.00 1.09 -0.73 -1.21 -0.73 0.00 0.00 179.01 177.43 3kad s GLU 101 N -4.22 0.61 0.27 1.92 0.41 -0.73 -5.02 118.70 111.94 3kad s GLU 101 Ca -0.10 -0.90 -0.03 0.00 -0.41 0.00 0.00 54.97 53.53 3kad s GLU 101 Cb 0.11 -0.30 -0.05 0.00 -1.78 0.00 0.00 34.13 32.11 3kad s GLU 101 CO 0.87 0.04 0.51 0.16 -0.49 0.00 0.00 175.26 176.35 3kad s ASP 102 N -1.92 6.42 0.22 -0.19 3.84 -1.26 -3.81 116.67 119.97 3kad s ASP 102 Ca -0.05 0.61 -0.16 0.00 -0.00 0.00 0.00 52.55 52.95 3kad s ASP 102 Cb -0.07 -2.10 0.23 0.00 -1.38 0.00 0.00 42.92 39.61 3kad s ASP 102 CO -0.01 -0.16 1.59 0.15 -0.00 0.00 0.00 175.17 176.75 3kad h PHE 103 N 1.73 -0.69 -0.85 2.11 3.57 -1.95 -2.36 116.94 118.49 3kad h PHE 103 Ca -0.48 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 3kad h PHE 103 Cb 1.19 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 40.31 3kad h PHE 103 CO 0.57 -0.36 0.53 0.93 -2.23 0.00 0.00 178.31 177.74 3kad h GLU 104 N -0.06 1.14 -0.38 1.11 3.07 -1.94 0.38 114.58 117.89 3kad h GLU 104 Ca 0.31 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 3kad h GLU 104 Cb 0.56 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3kad h GLU 104 CO -0.77 0.78 0.16 0.77 -1.40 0.00 0.00 179.01 178.55 3kad h SER 105 N 1.16 0.52 -0.18 1.42 0.02 -1.83 -1.22 113.55 113.44 3kad h SER 105 Ca 0.31 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3kad h SER 105 Cb -0.08 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3kad h SER 105 CO -0.06 0.53 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.84 3kad h LEU 106 N 0.47 0.66 -0.21 5.07 3.38 -1.10 -2.49 115.31 121.09 3kad h LEU 106 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kad h LEU 106 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kad h LEU 106 CO -0.01 0.89 0.09 0.00 0.09 0.00 0.00 178.44 179.49 3kad h ALA 107 N 1.16 0.27 -0.42 1.53 0.00 -0.83 0.73 119.26 121.70 3kad h ALA 107 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kad h ALA 107 Cb 0.73 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kad h ALA 107 CO 0.06 -0.14 0.16 0.77 0.00 0.00 0.00 179.25 180.09 3kad h SER 108 N 0.19 0.17 0.65 0.00 0.02 -1.21 -2.27 113.55 111.10 3kad h SER 108 Ca 0.07 0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.80 3kad h SER 108 Cb 0.17 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kad h SER 108 CO -0.01 0.13 -1.20 1.56 -1.14 0.00 0.00 176.83 176.18 3kad h GLN 109 N 0.33 0.25 0.00 3.45 4.20 -1.38 -3.43 115.11 118.52 3kad h GLN 109 Ca 0.19 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3kad h GLN 109 Cb 0.18 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3kad h GLN 109 CO -0.19 1.19 -0.08 1.19 -0.67 0.00 0.00 178.83 180.27 3kad n PHE 110 N -3.53 0.00 -2.30 2.96 3.01 0.24 -5.03 117.46 112.82 3kad n PHE 110 Ca -0.07 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.98 3kad n PHE 110 Cb 1.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.44 3kad n PHE 110 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kad s SER 111 N -0.90 7.01 0.00 4.37 0.15 -0.86 -4.84 113.70 118.64 3kad s SER 111 Ca 0.00 2.39 0.17 0.00 0.70 0.00 0.00 55.95 59.21 3kad s SER 111 Cb 0.00 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.23 3kad s SER 111 CO 0.00 -0.39 1.41 0.47 1.20 0.00 0.00 173.24 175.93 3kad n ASP 112 N 1.84 1.91 -4.89 5.45 8.00 0.12 -4.75 116.55 124.23 3kad n ASP 112 Ca 0.02 -1.86 -0.34 0.00 0.71 0.00 0.00 54.79 53.33 3kad n ASP 112 Cb 0.44 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3kad n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kad h SER 114 N 3.72 0.00 0.00 0.00 4.64 -2.01 -0.18 113.55 119.73 3kad h SER 114 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kad h SER 114 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kad h SER 114 CO 0.68 0.00 0.03 0.77 -0.87 0.00 0.00 176.83 177.44 3kad h SER 115 N 0.00 0.00 -1.26 4.97 4.64 -1.92 -2.55 113.55 117.43 3kad h SER 115 Ca 0.00 0.00 0.39 0.00 -0.47 0.00 0.00 61.79 61.71 3kad h SER 115 Cb 0.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 3kad h SER 115 CO 0.00 0.00 0.81 0.00 -0.87 0.00 0.00 176.83 176.77 3kad h ALA 116 N 1.93 2.64 0.00 5.18 0.00 -1.27 0.38 119.26 128.12 3kad h ALA 116 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kad h ALA 116 Cb 0.06 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kad h ALA 116 CO 0.00 -1.20 0.00 0.87 0.00 0.00 0.00 179.25 178.92 3kad h LYS 117 N 0.16 0.00 -0.73 0.00 1.79 -1.70 -1.32 116.57 114.76 3kad h LYS 117 Ca 0.76 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.79 3kad h LYS 117 Cb 2.32 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 32.72 3kad h LYS 117 CO -0.37 0.00 0.21 0.00 -1.08 0.00 0.00 179.45 178.21 3kad n ALA 118 N -2.04 5.25 -2.43 3.86 0.00 -0.40 -4.92 120.51 119.84 3kad n ALA 118 Ca 0.01 -3.28 -0.16 0.00 0.00 0.00 0.00 53.44 50.01 3kad n ALA 118 Cb 0.32 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3kad n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kad n ARG 119 N -1.02 -1.98 -0.45 0.00 1.74 -0.50 -1.92 116.66 112.53 3kad n ARG 119 Ca 0.49 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 58.37 3kad n ARG 119 Cb 1.09 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 3kad n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kad n GLY 120 N -0.91 0.90 3.70 -0.13 0.00 -0.01 -4.70 105.19 104.04 3kad n GLY 120 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3kad n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kad s ASP 121 N -3.01 6.68 0.00 1.61 2.15 -0.81 -1.23 116.67 122.06 3kad s ASP 121 Ca 0.00 2.43 0.19 0.00 0.43 0.00 0.00 52.55 55.60 3kad s ASP 121 Cb 0.00 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 39.94 3kad s ASP 121 CO 0.00 -0.80 0.88 0.18 -0.17 0.00 0.00 175.17 175.26 3kad n LEU 122 N 4.78 1.36 0.00 -1.34 4.77 -0.45 -4.85 117.00 121.26 3kad n LEU 122 Ca 0.14 -0.63 0.01 0.00 -0.03 0.00 0.00 56.01 55.50 3kad n LEU 122 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3kad n LEU 122 CO 0.61 0.28 -0.01 0.61 -1.33 0.00 0.00 177.39 177.55 3kad n GLY 123 N 1.37 -2.05 3.85 -0.72 0.00 -1.25 -4.92 105.19 101.46 3kad n GLY 123 Ca 0.06 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3kad n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kad s ALA 124 N -1.13 3.39 0.08 4.61 0.00 -1.26 -3.46 121.76 124.00 3kad s ALA 124 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 3kad s ALA 124 Cb 0.00 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.47 3kad s ALA 124 CO 0.00 0.37 0.45 -0.59 0.00 0.00 0.00 175.76 176.00 3kad s PHE 125 N -1.89 -0.31 0.51 0.00 -0.12 0.73 -4.95 117.98 111.95 3kad s PHE 125 Ca 0.51 0.18 0.06 0.00 -0.05 0.00 0.00 56.93 57.63 3kad s PHE 125 Cb -0.11 0.29 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3kad s PHE 125 CO 0.19 -0.66 0.40 -1.54 -0.05 0.00 0.00 175.22 173.55 3kad s SER 126 N -2.34 4.71 0.67 1.98 1.04 -1.26 -1.71 113.70 116.79 3kad s SER 126 Ca -0.02 -1.11 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 3kad s SER 126 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3kad s SER 126 CO -0.07 -0.98 1.22 0.54 0.98 0.00 0.00 173.24 174.94 3kad n ARG 127 N -1.70 0.91 -0.69 4.02 1.74 -1.26 -3.43 116.66 116.25 3kad n ARG 127 Ca 0.00 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3kad n ARG 127 Cb 0.64 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 3kad n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kad n GLY 128 N 0.93 0.64 0.23 -0.13 0.00 -1.26 -4.93 105.19 100.66 3kad n GLY 128 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3kad n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kad n GLN 129 N -2.69 0.29 -3.74 1.61 6.02 -1.22 -5.08 117.38 112.57 3kad n GLN 129 Ca 0.00 0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 3kad n GLN 129 Cb 0.00 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3kad n GLN 129 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3kad s MET 130 N -2.24 3.46 0.16 -1.09 -1.94 -1.26 -5.03 119.30 111.36 3kad s MET 130 Ca -0.17 -0.59 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 3kad s MET 130 Cb 0.05 -2.81 -0.16 0.00 2.01 0.00 0.00 34.83 33.92 3kad s MET 130 CO 0.26 0.33 0.56 0.00 -0.01 0.00 0.00 175.02 176.16 3kad n ALA 131 N -1.50 -2.87 -0.16 3.03 0.00 -1.26 -4.53 120.51 113.21 3kad n ALA 131 Ca -0.07 0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 3kad n ALA 131 Cb 0.56 -1.54 0.06 0.00 0.00 0.00 0.00 19.45 18.53 3kad n ALA 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kad h LYS 132 N 1.20 0.10 -0.73 0.00 1.57 -1.98 0.14 116.57 116.87 3kad h LYS 132 Ca -0.29 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3kad h LYS 132 Cb 1.36 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 3kad h LYS 132 CO 0.55 0.07 0.23 -1.35 -0.57 0.00 0.00 179.45 178.38 3kad h PRO 133 N 0.10 1.13 -0.42 3.15 0.11 -1.89 0.32 132.00 134.50 3kad h PRO 133 Ca 0.26 -0.24 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3kad h PRO 133 Cb 0.39 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3kad h PRO 133 CO -0.44 0.96 0.17 0.35 -0.21 0.00 0.00 178.00 178.83 3kad h PHE 134 N 1.09 0.65 -0.37 0.65 3.57 -1.65 -2.28 116.94 118.60 3kad h PHE 134 Ca 0.24 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3kad h PHE 134 Cb 0.30 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kad h PHE 134 CO 0.02 0.56 0.07 1.49 -2.23 0.00 0.00 178.31 178.23 3kad h GLU 135 N 0.54 0.60 -0.82 1.11 4.81 -0.55 0.26 114.58 120.53 3kad h GLU 135 Ca 0.14 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3kad h GLU 135 Cb 0.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3kad h GLU 135 CO -0.01 0.66 0.54 -0.44 -0.73 0.00 0.00 179.01 179.03 3kad h ASP 136 N 0.44 0.93 -0.44 1.04 3.32 -0.36 -1.06 116.42 120.29 3kad h ASP 136 Ca 0.11 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3kad h ASP 136 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kad h ASP 136 CO 0.01 0.66 0.08 0.00 -1.72 0.00 0.00 179.24 178.26 3kad h ALA 137 N 1.31 0.59 -0.58 3.45 0.00 -1.14 -2.17 119.26 120.72 3kad h ALA 137 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kad h ALA 137 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kad h ALA 137 CO -0.08 0.31 0.35 0.77 0.00 0.00 0.00 179.25 180.60 3kad h SER 138 N 0.60 0.70 0.98 0.00 0.02 -0.36 -2.04 113.55 113.45 3kad h SER 138 Ca 0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kad h SER 138 Cb 0.37 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3kad h SER 138 CO 0.01 0.56 0.00 0.49 -1.14 0.00 0.00 176.83 176.75 3kad n PHE 139 N -4.63 0.80 1.01 3.45 3.01 -0.45 -2.85 117.46 117.80 3kad n PHE 139 Ca 0.04 0.28 0.12 0.00 1.01 0.00 0.00 57.45 58.90 3kad n PHE 139 Cb 0.06 -0.96 0.20 0.00 -0.01 0.00 0.00 39.48 38.77 3kad n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kad n ALA 140 N -1.76 3.72 -2.02 4.37 0.00 -0.80 -4.86 120.51 119.16 3kad n ALA 140 Ca 0.03 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 3kad n ALA 140 Cb 0.30 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 3kad n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kad s LEU 141 N -2.96 3.98 0.31 0.00 1.43 -1.01 -4.94 118.68 115.50 3kad s LEU 141 Ca 0.11 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3kad s LEU 141 Cb 0.17 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3kad s LEU 141 CO 0.71 -0.29 0.50 -0.13 0.23 0.00 0.00 176.35 177.37 3kad s ARG 142 N -3.16 3.49 0.17 1.70 3.00 -1.26 -5.01 118.95 117.87 3kad s ARG 142 Ca 0.57 -0.40 -0.34 0.00 0.00 0.00 0.00 55.73 55.57 3kad s ARG 142 Cb -0.10 -2.72 -0.15 0.00 0.00 0.00 0.00 34.95 31.99 3kad s ARG 142 CO 0.17 0.23 1.43 2.41 0.00 0.00 0.00 175.30 179.54 3kad n THR 143 N -1.58 0.35 0.00 0.02 -1.04 -1.26 -1.17 114.28 109.60 3kad n THR 143 Ca -0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3kad n THR 143 Cb 0.56 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 3kad n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kad n GLY 144 N 2.72 3.25 3.89 3.41 0.00 0.32 -5.01 105.19 113.77 3kad n GLY 144 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3kad n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kad s GLU 145 N -0.51 3.67 0.02 1.61 2.02 -0.32 -4.83 118.70 120.37 3kad s GLU 145 Ca 0.00 0.21 0.08 0.00 0.02 0.00 0.00 54.97 55.28 3kad s GLU 145 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 3kad s GLU 145 CO 0.00 0.04 -0.24 1.41 0.02 0.00 0.00 175.26 176.50 3kad s MET 146 N -3.89 1.72 0.81 1.61 -2.45 -1.26 -1.75 119.30 114.08 3kad s MET 146 Ca 0.47 -0.96 -0.12 0.00 -1.25 0.00 0.00 55.69 53.83 3kad s MET 146 Cb -0.10 -1.79 0.08 0.00 1.25 0.00 0.00 34.83 34.26 3kad s MET 146 CO 0.33 0.47 1.14 -1.54 1.05 0.00 0.00 175.02 176.48 3kad s SER 147 N -0.96 4.49 0.07 1.11 1.04 0.80 -4.76 113.70 115.49 3kad s SER 147 Ca 0.10 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3kad s SER 147 Cb -0.09 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.47 3kad s SER 147 CO 0.01 -1.93 0.00 0.61 0.98 0.00 0.00 173.24 172.91 3kad n GLY 148 N -2.88 -0.50 3.65 7.32 0.00 0.54 -4.55 105.19 108.78 3kad n GLY 148 Ca 0.07 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3kad n GLY 148 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kad n PRO 149 N -0.08 2.79 -4.14 1.61 -0.02 -1.26 -4.48 135.00 129.42 3kad n PRO 149 Ca 0.00 1.01 -0.34 0.00 -2.02 0.00 0.00 63.50 62.15 3kad n PRO 149 Cb 0.00 -3.04 -0.15 0.00 -0.02 0.00 0.00 33.50 30.29 3kad n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kad s VAL 150 N 4.85 2.81 -0.11 -1.45 1.01 -0.29 -4.70 120.40 122.52 3kad s VAL 150 Ca 0.90 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3kad s VAL 150 Cb -0.42 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3kad s VAL 150 CO 0.41 0.48 0.36 -0.36 0.00 0.00 0.00 175.10 175.99 3kad s PHE 151 N 1.23 3.54 0.35 5.22 0.40 -1.26 0.16 117.98 127.62 3kad s PHE 151 Ca 0.02 0.75 0.05 0.00 -0.60 0.00 0.00 56.93 57.15 3kad s PHE 151 Cb -0.14 -2.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 3kad s PHE 151 CO -0.05 0.34 0.19 0.95 0.70 0.00 0.00 175.22 177.34 3kad s THR 152 N 0.08 0.31 0.63 0.64 -4.23 -0.46 -4.76 115.64 107.85 3kad s THR 152 Ca 0.20 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.07 3kad s THR 152 Cb -0.14 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.64 3kad s THR 152 CO 0.08 0.00 2.25 0.44 -0.54 0.00 0.00 174.62 176.84 3kad h ASP 153 N 2.04 0.00 0.32 3.99 3.32 -1.97 -2.29 116.42 121.82 3kad h ASP 153 Ca -0.31 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 3kad h ASP 153 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3kad h ASP 153 CO 0.49 0.00 -0.49 0.28 -1.72 0.00 0.00 179.24 177.80 3kad h SER 154 N 0.00 0.22 0.00 6.45 0.02 -1.95 0.22 113.55 118.51 3kad h SER 154 Ca 0.02 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3kad h SER 154 Cb 0.14 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3kad h SER 154 CO -0.00 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 3kad n GLY 155 N -0.02 0.14 3.47 -3.77 0.00 -0.86 -4.51 105.19 99.64 3kad n GLY 155 Ca -0.02 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3kad n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kad s ILE 156 N -4.00 3.38 0.12 -0.61 1.01 0.29 -1.36 121.20 120.04 3kad s ILE 156 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.19 3kad s ILE 156 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3kad s ILE 156 CO 0.00 0.55 -0.26 -1.00 0.00 0.00 0.00 174.94 174.23 3kad s HIS 157 N -0.15 2.34 -0.16 3.97 3.76 0.12 -0.30 115.29 124.87 3kad s HIS 157 Ca 0.01 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3kad s HIS 157 Cb -0.13 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.27 3kad s HIS 157 CO 0.03 0.33 -0.10 0.42 -0.85 0.00 0.00 174.74 174.57 3kad s ILE 158 N -1.05 3.20 -0.13 0.60 1.01 -0.33 -1.14 121.20 123.36 3kad s ILE 158 Ca 0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3kad s ILE 158 Cb -0.10 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3kad s ILE 158 CO 0.06 0.49 -0.12 -0.63 0.00 0.00 0.00 174.94 174.74 3kad s ILE 159 N 0.70 3.13 -0.20 2.92 1.01 -1.26 -1.12 121.20 126.38 3kad s ILE 159 Ca -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3kad s ILE 159 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.00 3kad s ILE 159 CO 0.02 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.16 3kad s LEU 160 N 0.31 2.61 -0.29 2.97 2.96 0.80 -0.14 118.68 127.89 3kad s LEU 160 Ca -0.10 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.09 3kad s LEU 160 Cb -0.16 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3kad s LEU 160 CO 0.05 -0.01 0.83 -0.60 -1.32 0.00 0.00 176.35 175.31 3kad s ARG 161 N 1.39 4.04 -0.04 1.98 3.52 -0.72 -0.84 118.95 128.28 3kad s ARG 161 Ca 0.05 0.75 0.20 0.00 -0.13 0.00 0.00 55.73 56.61 3kad s ARG 161 Cb -0.14 -3.70 -0.26 0.00 -1.56 0.00 0.00 34.95 29.29 3kad s ARG 161 CO -0.07 -0.65 0.47 0.25 -0.81 0.00 0.00 175.30 174.49 3kad n THR 162 N 5.48 0.56 -1.56 4.11 -2.24 0.85 -0.52 114.28 120.96 3kad n THR 162 Ca 0.05 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3kad n THR 162 Cb 0.48 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3kad n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88