#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kag s PRO 8 N 0.00 -0.61 -0.23 3.23 0.02 -1.26 -4.86 135.00 131.30 3kag s PRO 8 Ca 0.00 0.78 -0.41 0.00 0.02 0.00 0.00 61.00 61.39 3kag s PRO 8 Cb 0.00 -1.59 -0.18 0.00 0.02 0.00 0.00 34.50 32.75 3kag s PRO 8 CO 0.00 -3.50 1.54 -2.30 -0.33 0.00 0.00 177.00 172.41 3kag n PRO 9 N -4.75 0.68 0.00 5.54 -0.02 -1.26 -1.92 135.00 133.27 3kag n PRO 9 Ca 0.04 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3kag n PRO 9 Cb 0.55 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3kag n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kag n GLY 10 N 3.45 3.31 3.70 -1.23 0.00 -1.26 -4.92 105.19 108.23 3kag n GLY 10 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3kag n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kag s TRP 11 N -2.89 3.57 0.09 1.61 0.52 -0.81 -0.51 118.94 120.53 3kag s TRP 11 Ca 0.00 1.57 0.08 0.00 0.02 0.00 0.00 56.10 57.77 3kag s TRP 11 Cb 0.00 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 3kag s TRP 11 CO 0.00 -0.10 -0.20 -1.21 0.02 0.00 0.00 176.95 175.46 3kag s GLU 12 N 1.47 1.11 0.21 4.98 0.41 0.38 -4.88 118.70 122.38 3kag s GLU 12 Ca 0.48 -1.11 -0.29 0.00 -0.41 0.00 0.00 54.97 53.64 3kag s GLU 12 Cb -0.19 -1.33 -0.08 0.00 -1.78 0.00 0.00 34.13 30.75 3kag s GLU 12 CO 0.22 0.31 0.91 0.21 -0.49 0.00 0.00 175.26 176.42 3kag s LYS 13 N -1.80 4.78 0.15 1.61 2.20 -1.26 -0.85 119.74 124.57 3kag s LYS 13 Ca 0.05 1.41 -0.05 0.00 -0.36 0.00 0.00 55.97 57.03 3kag s LYS 13 Cb -0.10 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3kag s LYS 13 CO 0.04 0.49 0.18 0.00 -0.36 0.00 0.00 175.35 175.70 3kag s ALA 14 N -1.02 0.45 -0.18 3.13 0.00 0.05 -4.93 121.76 119.27 3kag s ALA 14 Ca 0.41 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3kag s ALA 14 Cb -0.25 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 3kag s ALA 14 CO 0.30 -0.58 0.05 1.41 0.00 0.00 0.00 175.76 176.94 3kag s MET 15 N -4.02 3.93 0.24 0.00 1.75 -1.26 -0.87 119.30 119.07 3kag s MET 15 Ca 0.22 -0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 53.99 3kag s MET 15 Cb 0.05 -3.17 -0.09 0.00 2.84 0.00 0.00 34.83 34.46 3kag s MET 15 CO 0.02 0.27 1.23 0.45 -0.65 0.00 0.00 175.02 176.35 3kag s SER 16 N 0.35 7.01 0.00 1.11 0.15 0.10 -4.93 113.70 117.48 3kag s SER 16 Ca 0.02 2.38 0.25 0.00 0.70 0.00 0.00 55.95 59.30 3kag s SER 16 Cb -0.13 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 62.08 3kag s SER 16 CO 0.00 -0.40 1.42 -2.11 1.20 0.00 0.00 173.24 173.35 3kag n ARG 17 N 1.93 1.19 -0.08 5.44 1.85 -1.26 -1.80 116.66 123.93 3kag n ARG 17 Ca 0.03 -0.83 -0.18 0.00 -1.00 0.00 0.00 57.85 55.86 3kag n ARG 17 Cb 0.44 -1.48 -0.12 0.00 -1.05 0.00 0.00 32.46 30.24 3kag n ARG 17 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3kag h SER 18 N 2.03 0.03 0.00 2.89 0.02 -1.97 -3.43 113.55 113.12 3kag h SER 18 Ca 0.00 -0.77 -0.15 0.00 -0.84 0.00 0.00 61.79 60.03 3kag h SER 18 Cb 0.62 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3kag h SER 18 CO 0.00 1.26 -1.98 -1.54 -1.14 0.00 0.00 176.83 173.43 3kag n SER 19 N -4.48 0.87 0.00 3.07 3.41 -1.25 -4.97 113.62 110.27 3kag n SER 19 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3kag n SER 19 Cb 0.60 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 3kag n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kag n GLY 20 N 1.71 0.74 3.77 5.00 0.00 -0.74 -5.04 105.19 110.62 3kag n GLY 20 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3kag n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kag s ARG 21 N -0.06 4.57 0.36 1.61 0.52 -1.26 -4.65 118.95 120.04 3kag s ARG 21 Ca 0.00 1.55 -0.28 0.00 -0.52 0.00 0.00 55.73 56.48 3kag s ARG 21 Cb 0.00 -2.97 -0.12 0.00 0.52 0.00 0.00 34.95 32.38 3kag s ARG 21 CO 0.00 0.22 1.42 0.28 0.02 0.00 0.00 175.30 177.24 3kag n VAL 22 N 0.82 1.94 -4.23 3.52 0.31 -1.26 -0.73 118.33 118.70 3kag n VAL 22 Ca 0.01 -0.48 -0.18 0.00 -0.01 0.00 0.00 64.34 63.68 3kag n VAL 22 Cb 0.48 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.52 3kag n VAL 22 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 3kag s TYR 23 N -1.04 1.55 -0.00 3.52 -0.85 -0.05 -4.84 117.35 115.63 3kag s TYR 23 Ca 0.55 -1.55 0.07 0.00 -0.52 0.00 0.00 57.07 55.61 3kag s TYR 23 Cb -0.51 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.24 3kag s TYR 23 CO 0.62 -0.89 -0.21 0.71 -1.52 0.00 0.00 175.55 174.26 3kag s TYR 24 N -3.47 1.84 0.07 -3.49 1.51 -0.02 -0.77 117.35 113.03 3kag s TYR 24 Ca 0.39 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3kag s TYR 24 Cb 0.02 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 3kag s TYR 24 CO 0.24 -0.00 -0.06 -0.59 -1.11 0.00 0.00 175.55 174.03 3kag s PHE 25 N -0.55 0.71 -0.20 2.71 -0.71 -0.03 -1.75 117.98 118.15 3kag s PHE 25 Ca 0.08 -0.82 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 3kag s PHE 25 Cb -0.08 -0.43 0.03 0.00 -1.21 0.00 0.00 43.02 41.33 3kag s PHE 25 CO -0.00 -0.19 -0.17 1.21 -1.34 0.00 0.00 175.22 174.73 3kag s ASN 26 N -2.55 3.52 0.00 1.98 3.84 0.21 0.14 114.94 122.08 3kag s ASN 26 Ca 0.04 -0.88 0.29 0.00 0.21 0.00 0.00 52.86 52.52 3kag s ASN 26 Cb 0.01 -1.48 1.25 0.00 -0.55 0.00 0.00 41.25 40.48 3kag s ASN 26 CO -0.04 -0.06 1.90 0.00 -2.79 0.00 0.00 177.10 176.10 3kag n HIS 27 N 4.57 0.00 -0.05 0.43 1.44 0.33 -0.22 115.22 121.72 3kag n HIS 27 Ca -0.19 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.36 3kag n HIS 27 Cb 0.48 -0.31 -0.14 0.00 0.12 0.00 0.00 29.99 30.13 3kag n HIS 27 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3kag n ILE 28 N -1.28 1.62 0.81 0.61 5.41 -1.26 -4.52 119.36 120.75 3kag n ILE 28 Ca 0.11 -0.68 0.09 0.00 1.00 0.00 0.00 62.75 63.27 3kag n ILE 28 Cb 0.29 -1.36 -0.10 0.00 -0.71 0.00 0.00 39.64 37.76 3kag n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3kag n THR 29 N -3.25 0.00 -1.32 1.39 -2.24 -1.18 -4.40 114.28 103.28 3kag n THR 29 Ca -0.33 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 3kag n THR 29 Cb 1.05 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 70.18 3kag n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kag n ASN 30 N -1.46 -5.65 -4.77 3.42 5.03 0.69 -1.20 115.26 111.33 3kag n ASN 30 Ca 0.03 0.28 -0.37 0.00 0.87 0.00 0.00 54.58 55.39 3kag n ASN 30 Cb 0.29 -4.20 0.00 0.00 -1.02 0.00 0.00 39.78 34.86 3kag n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kag s ALA 31 N -1.96 2.94 -0.03 5.41 0.00 -1.24 -3.26 121.76 123.62 3kag s ALA 31 Ca 0.00 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 3kag s ALA 31 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3kag s ALA 31 CO 0.00 -0.85 0.11 -1.54 0.00 0.00 0.00 175.76 173.48 3kag s SER 32 N -1.24 -0.06 -0.05 0.00 1.04 -1.26 -0.62 113.70 111.52 3kag s SER 32 Ca 0.66 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.86 3kag s SER 32 Cb -0.32 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.09 3kag s SER 32 CO 0.38 -0.15 0.65 0.00 0.98 0.00 0.00 173.24 175.11 3kag s GLN 33 N -0.42 1.03 0.18 4.02 -2.07 -0.72 -5.02 119.66 116.66 3kag s GLN 33 Ca -0.05 0.22 -0.10 0.00 -1.82 0.00 0.00 55.36 53.61 3kag s GLN 33 Cb -0.03 0.48 0.06 0.00 -1.09 0.00 0.00 33.01 32.43 3kag s GLN 33 CO 0.00 -0.32 1.63 -1.49 -1.32 0.00 0.00 175.29 173.80 3kag h TRP 34 N 3.07 1.13 -3.98 9.60 4.06 -1.89 -0.01 115.95 127.93 3kag h TRP 34 Ca -0.27 -0.19 -0.48 0.00 2.06 0.00 0.00 58.89 60.00 3kag h TRP 34 Cb 1.14 -0.30 0.02 0.00 -1.00 0.00 0.00 29.16 29.03 3kag h TRP 34 CO 0.39 1.00 0.41 -1.21 -3.56 0.00 0.00 178.44 175.48 3kag s GLU 35 N -5.03 4.09 0.12 0.49 8.01 -1.26 -4.49 118.70 120.62 3kag s GLU 35 Ca -0.12 1.50 -0.31 0.00 0.01 0.00 0.00 54.97 56.05 3kag s GLU 35 Cb 0.13 -2.47 -0.09 0.00 -4.31 0.00 0.00 34.13 27.40 3kag s GLU 35 CO 0.85 -0.20 1.51 0.50 0.01 0.00 0.00 175.26 177.93 3kag s ARG 36 N -2.62 4.25 0.27 1.61 3.52 -1.26 -4.69 118.95 120.03 3kag s ARG 36 Ca 0.59 2.23 -0.30 0.00 -0.13 0.00 0.00 55.73 58.13 3kag s ARG 36 Cb -0.21 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 3kag s ARG 36 CO 0.27 -0.57 1.09 -1.25 -0.81 0.00 0.00 175.30 174.03 3kag s PRO 37 N 1.46 4.65 0.00 5.12 0.04 -1.26 -5.17 135.00 139.84 3kag s PRO 37 Ca 0.68 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3kag s PRO 37 Cb -0.40 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3kag s PRO 37 CO 0.31 0.23 0.00 -1.13 0.04 0.00 0.00 177.00 176.44 3kag n SER 38 N 1.29 0.00 -4.14 6.66 3.41 -1.26 -4.75 113.62 114.83 3kag n SER 38 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 3kag n SER 38 Cb 0.45 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 3kag n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kag s GLU 51 N 0.00 2.88 0.68 4.33 2.12 -1.26 -4.76 118.70 122.70 3kag s GLU 51 Ca 0.00 -0.91 -0.11 0.00 0.36 0.00 0.00 54.97 54.31 3kag s GLU 51 Cb 0.00 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.68 3kag s GLU 51 CO 0.00 -0.29 1.05 -1.25 -0.54 0.00 0.00 175.26 174.23 3kag s PRO 52 N 1.28 3.09 0.11 4.30 0.04 -1.26 -5.02 135.00 137.54 3kag s PRO 52 Ca 0.02 0.88 -0.06 0.00 0.04 0.00 0.00 61.00 61.88 3kag s PRO 52 Cb -0.15 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.21 3kag s PRO 52 CO -0.10 -0.97 1.24 0.00 0.04 0.00 0.00 177.00 177.21 3kag h ALA 53 N -0.62 0.25 -3.92 8.56 0.00 -2.02 -3.46 119.26 118.05 3kag h ALA 53 Ca -0.44 -0.76 -0.44 0.00 0.00 0.00 0.00 54.91 53.27 3kag h ALA 53 Cb 1.21 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.74 3kag h ALA 53 CO 0.58 0.83 -0.79 1.03 0.00 0.00 0.00 179.25 180.90 3kag s ARG 54 N -3.09 0.94 0.20 0.00 0.52 -1.26 -4.12 118.95 112.14 3kag s ARG 54 Ca -0.06 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 3kag s ARG 54 Cb 0.08 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 3kag s ARG 54 CO 0.88 0.24 -0.15 0.14 0.02 0.00 0.00 175.30 176.43 3kag s VAL 55 N -0.59 1.79 -0.13 3.52 -7.23 -0.59 -4.95 120.40 112.22 3kag s VAL 55 Ca 0.03 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3kag s VAL 55 Cb -0.06 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 3kag s VAL 55 CO 0.00 -0.54 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.47 3kag s ARG 56 N -3.51 3.18 0.12 4.82 3.52 -0.48 -0.37 118.95 126.23 3kag s ARG 56 Ca 0.22 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 3kag s ARG 56 Cb -0.02 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 3kag s ARG 56 CO 0.07 0.10 -0.12 0.00 -0.81 0.00 0.00 175.30 174.55 3kag s SER 58 N -2.56 3.92 0.20 0.00 0.01 -0.59 -1.01 113.70 113.67 3kag s SER 58 Ca 0.09 -1.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.06 3kag s SER 58 Cb -0.03 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.80 3kag s SER 58 CO 0.01 -0.22 0.51 -1.38 0.41 0.00 0.00 173.24 172.57 3kag s HIS 59 N -2.57 -0.04 -0.11 2.43 -3.43 -0.36 -0.22 115.29 111.00 3kag s HIS 59 Ca 0.33 -0.31 0.02 0.00 -0.80 0.00 0.00 55.06 54.30 3kag s HIS 59 Cb 0.02 0.36 0.01 0.00 -1.43 0.00 0.00 32.58 31.54 3kag s HIS 59 CO 0.18 -0.93 -0.16 -1.17 -2.00 0.00 0.00 174.74 170.66 3kag s LEU 60 N -2.90 1.76 -0.11 5.38 0.20 -0.22 -4.41 118.68 118.38 3kag s LEU 60 Ca 0.11 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.49 3kag s LEU 60 Cb -0.01 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 3kag s LEU 60 CO -0.01 0.03 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.75 3kag s LEU 61 N 0.92 2.87 -0.19 -0.68 2.96 -1.26 -1.60 118.68 121.69 3kag s LEU 61 Ca -0.08 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3kag s LEU 61 Cb -0.15 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3kag s LEU 61 CO -0.01 0.22 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.39 3kag s VAL 62 N 0.01 2.30 0.59 1.68 1.01 0.51 -0.28 120.40 126.22 3kag s VAL 62 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3kag s VAL 62 Cb -0.14 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3kag s VAL 62 CO 0.04 0.50 0.88 -0.54 0.00 0.00 0.00 175.10 175.97 3kag s LYS 63 N 1.32 2.73 0.30 2.72 1.02 -1.26 -1.46 119.74 125.11 3kag s LYS 63 Ca 0.05 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.77 3kag s LYS 63 Cb -0.13 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 3kag s LYS 63 CO -0.11 -0.76 0.41 -3.38 -0.92 0.00 0.00 175.35 170.59 3kag s HIS 64 N -2.95 1.01 0.58 3.18 -3.43 -1.26 -4.81 115.29 107.60 3kag s HIS 64 Ca 0.55 -1.23 0.28 0.00 -0.80 0.00 0.00 55.06 53.86 3kag s HIS 64 Cb -0.10 -0.16 1.59 0.00 -1.43 0.00 0.00 32.58 32.48 3kag s HIS 64 CO 0.43 -1.02 2.05 0.66 -2.00 0.00 0.00 174.74 174.86 3kag h SER 65 N 2.21 0.00 -0.27 7.38 4.64 -0.70 -0.71 113.55 126.10 3kag h SER 65 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3kag h SER 65 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kag h SER 65 CO 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 3kag n GLN 66 N -3.82 2.17 -1.66 4.77 6.02 -1.26 -4.84 117.38 118.76 3kag n GLN 66 Ca 0.04 -1.76 -0.39 0.00 -0.01 0.00 0.00 57.00 54.87 3kag n GLN 66 Cb 0.42 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.25 3kag n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3kag n SER 67 N 1.00 1.64 -0.32 1.08 7.64 -0.27 -4.89 113.62 119.49 3kag n SER 67 Ca 0.18 0.95 0.22 0.00 1.01 0.00 0.00 58.87 61.22 3kag n SER 67 Cb 0.49 -1.45 0.50 0.00 -1.01 0.00 0.00 64.21 62.74 3kag n SER 67 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3kag h ARG 68 N 1.21 0.40 -2.95 1.43 2.43 -1.36 -3.27 114.38 112.27 3kag h ARG 68 Ca -0.48 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.07 3kag h ARG 68 Cb 1.33 -0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 30.39 3kag h ARG 68 CO 0.55 0.27 -0.77 0.50 -1.51 0.00 0.00 179.97 179.00 3kag s ARG 69 N -5.52 0.93 -1.54 0.20 3.52 -1.26 -5.05 118.95 110.23 3kag s ARG 69 Ca -0.09 -1.59 -0.10 0.00 -0.13 0.00 0.00 55.73 53.82 3kag s ARG 69 Cb 0.25 -1.93 -0.07 0.00 -1.56 0.00 0.00 34.95 31.65 3kag s ARG 69 CO 0.80 -1.14 2.80 -0.35 -0.81 0.00 0.00 175.30 176.60 3kag n PRO 70 N 3.98 3.44 -3.58 5.12 -0.04 -1.24 -4.75 135.00 137.93 3kag n PRO 70 Ca 0.07 -2.17 -0.15 0.00 -0.04 0.00 0.00 63.50 61.20 3kag n PRO 70 Cb 0.37 -2.82 -0.07 0.00 -0.04 0.00 0.00 33.50 30.94 3kag n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kag s SER 71 N 2.43 -0.69 0.35 3.54 0.15 -1.26 -0.06 113.70 118.16 3kag s SER 71 Ca 0.65 1.09 -0.14 0.00 0.70 0.00 0.00 55.95 58.25 3kag s SER 71 Cb 0.17 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 3kag s SER 71 CO -0.06 -0.40 0.69 -0.94 1.20 0.00 0.00 173.24 173.74 3kag s SER 72 N -0.31 0.13 0.63 5.45 1.04 -0.16 -4.96 113.70 115.51 3kag s SER 72 Ca -0.04 -1.11 0.38 0.00 0.48 0.00 0.00 55.95 55.66 3kag s SER 72 Cb -0.03 0.77 2.12 0.00 0.10 0.00 0.00 66.02 68.99 3kag s SER 72 CO 0.04 -1.51 2.30 4.11 0.98 0.00 0.00 173.24 179.16 3kag h TRP 73 N 2.04 0.00 0.00 5.02 5.08 -1.93 -1.97 115.95 124.19 3kag h TRP 73 Ca -0.29 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.51 3kag h TRP 73 Cb 1.25 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.38 3kag h TRP 73 CO 1.16 0.01 -1.19 0.00 -1.28 0.00 0.00 178.44 177.13 3kag h ARG 74 N 0.00 0.00 -1.77 0.12 3.08 -1.91 -3.46 114.38 110.44 3kag h ARG 74 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3kag h ARG 74 Cb 0.04 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.88 3kag h ARG 74 CO 0.00 0.45 -0.17 -1.14 -1.07 0.00 0.00 179.97 178.04 3kag s GLN 75 N -2.86 0.57 0.22 0.04 0.74 -0.74 -5.06 119.66 112.57 3kag s GLN 75 Ca -0.01 1.33 -0.08 0.00 0.05 0.00 0.00 55.36 56.66 3kag s GLN 75 Cb 0.08 0.78 0.27 0.00 1.10 0.00 0.00 33.01 35.24 3kag s GLN 75 CO 0.80 -0.31 1.84 1.49 -0.55 0.00 0.00 175.29 178.56 3kag h GLU 76 N 8.01 0.84 -4.46 1.67 4.81 -1.90 -0.41 114.58 123.14 3kag h GLU 76 Ca -0.19 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.38 3kag h GLU 76 Cb 1.12 -0.19 -0.38 0.00 0.63 0.00 0.00 28.75 29.93 3kag h GLU 76 CO 0.14 0.56 -0.80 0.21 -0.73 0.00 0.00 179.01 178.39 3kag s LYS 77 N -6.09 1.82 -0.22 1.92 2.20 -1.26 -4.42 119.74 113.70 3kag s LYS 77 Ca -0.13 -0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 54.37 3kag s LYS 77 Cb 0.17 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 3kag s LYS 77 CO 0.78 -0.51 0.66 0.42 -0.36 0.00 0.00 175.35 176.34 3kag s ILE 78 N 1.40 4.98 -0.59 5.43 1.01 0.92 -4.93 121.20 129.42 3kag s ILE 78 Ca -0.03 1.22 0.08 0.00 0.00 0.00 0.00 60.65 61.92 3kag s ILE 78 Cb -0.17 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3kag s ILE 78 CO -0.07 0.06 0.47 0.35 0.00 0.00 0.00 174.94 175.74 3kag n THR 79 N 4.94 0.00 -1.79 2.92 -2.24 -1.26 -4.16 114.28 112.69 3kag n THR 79 Ca -0.00 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 3kag n THR 79 Cb 0.49 1.06 0.06 0.00 -2.10 0.00 0.00 70.33 69.84 3kag n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kag s ARG 80 N -1.35 2.68 0.70 -0.78 1.70 -1.26 -4.51 118.95 116.13 3kag s ARG 80 Ca 0.05 2.04 -0.12 0.00 -0.47 0.00 0.00 55.73 57.24 3kag s ARG 80 Cb 0.06 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 32.56 3kag s ARG 80 CO 0.23 -1.49 1.08 0.95 -1.08 0.00 0.00 175.30 174.99 3kag s THR 81 N -1.42 3.66 0.26 4.99 -4.23 -1.26 -0.14 115.64 117.50 3kag s THR 81 Ca 0.81 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.88 3kag s THR 81 Cb -0.37 -3.19 0.29 0.00 1.34 0.00 0.00 72.50 70.57 3kag s THR 81 CO 0.39 -0.64 1.64 0.50 -0.54 0.00 0.00 174.62 175.97 3kag h LYS 82 N -0.59 0.13 -0.37 3.99 3.64 -1.93 -0.51 116.57 120.93 3kag h LYS 82 Ca -0.44 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3kag h LYS 82 Cb 1.22 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 3kag h LYS 82 CO 0.55 0.09 0.21 1.49 -2.27 0.00 0.00 179.45 179.51 3kag h GLU 83 N 0.14 0.41 -0.53 1.90 4.81 -1.99 -0.02 114.58 119.30 3kag h GLU 83 Ca 0.46 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.57 3kag h GLU 83 Cb 0.84 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3kag h GLU 83 CO -0.66 0.27 -0.03 0.93 -0.73 0.00 0.00 179.01 178.79 3kag h GLU 84 N 0.42 0.92 -0.55 1.92 5.08 -1.81 -1.29 114.58 119.28 3kag h GLU 84 Ca 0.15 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3kag h GLU 84 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3kag h GLU 84 CO -0.07 0.93 0.35 0.00 -1.00 0.00 0.00 179.01 179.21 3kag h ALA 85 N 1.12 0.69 -0.81 3.43 0.00 -0.88 -1.79 119.26 121.02 3kag h ALA 85 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kag h ALA 85 Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kag h ALA 85 CO 0.03 0.15 0.39 1.25 0.00 0.00 0.00 179.25 181.07 3kag h LEU 86 N 0.74 1.06 -1.01 0.00 5.85 -0.56 -0.19 115.31 121.19 3kag h LEU 86 Ca 0.20 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kag h LEU 86 Cb -0.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3kag h LEU 86 CO -0.04 0.89 0.42 -0.08 -0.34 0.00 0.00 178.44 179.29 3kag h GLU 87 N 1.15 1.11 -0.18 1.25 4.81 -1.05 0.90 114.58 122.58 3kag h GLU 87 Ca 0.28 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3kag h GLU 87 Cb 0.12 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3kag h GLU 87 CO -0.04 0.83 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.00 3kag h LEU 88 N 1.12 0.33 -0.39 1.64 3.38 -0.74 -1.75 115.31 118.89 3kag h LEU 88 Ca 0.28 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3kag h LEU 88 Cb 0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3kag h LEU 88 CO -0.04 0.57 -0.01 0.40 0.09 0.00 0.00 178.44 179.45 3kag h ILE 89 N 0.07 0.70 -0.92 1.22 1.08 -0.80 -0.94 117.51 117.93 3kag h ILE 89 Ca 0.05 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 3kag h ILE 89 Cb 0.41 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 3kag h ILE 89 CO 0.01 0.02 0.60 0.78 -0.69 0.00 0.00 178.15 178.87 3kag h ASN 90 N 0.09 1.03 -0.80 1.72 2.35 -0.71 -1.26 115.58 118.00 3kag h ASN 90 Ca 0.19 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3kag h ASN 90 Cb 0.27 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3kag h ASN 90 CO -0.33 0.74 0.37 1.23 -1.65 0.00 0.00 177.43 177.79 3kag h GLY 91 N 1.22 1.25 0.89 2.83 0.00 -0.85 -1.58 103.07 106.82 3kag h GLY 91 Ca 0.35 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3kag h GLY 91 CO -0.09 0.60 -0.07 -0.97 0.00 0.00 0.00 176.54 176.02 3kag h TYR 92 N 1.15 0.63 -0.70 5.60 0.99 -0.59 -1.74 116.97 122.31 3kag h TYR 92 Ca 0.27 -0.13 0.07 0.00 2.00 0.00 0.00 58.73 60.94 3kag h TYR 92 Cb 0.14 -0.15 -0.06 0.00 1.00 0.00 0.00 36.73 37.66 3kag h TYR 92 CO 0.01 0.75 0.39 0.82 -0.00 0.00 0.00 178.16 180.14 3kag h ILE 93 N 0.33 0.95 -0.44 -2.88 2.04 -1.10 -0.12 117.51 116.29 3kag h ILE 93 Ca 0.07 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3kag h ILE 93 Cb 0.55 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3kag h ILE 93 CO 0.03 0.13 0.28 1.56 0.00 0.00 0.00 178.15 180.15 3kag h GLN 94 N 0.70 0.55 -0.34 2.37 4.20 -1.00 0.15 115.11 121.75 3kag h GLN 94 Ca 0.32 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 3kag h GLN 94 Cb 0.22 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3kag h GLN 94 CO -0.20 0.37 -0.17 0.87 -0.67 0.00 0.00 178.83 179.02 3kag h LYS 95 N 0.57 0.63 -0.14 1.46 1.57 -0.96 0.73 116.57 120.43 3kag h LYS 95 Ca 0.17 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3kag h LYS 95 Cb -0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kag h LYS 95 CO -0.05 0.78 -0.11 0.82 -0.57 0.00 0.00 179.45 180.32 3kag h ILE 96 N 0.57 1.34 -0.26 1.86 2.04 -0.71 -0.65 117.51 121.70 3kag h ILE 96 Ca 0.09 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.63 3kag h ILE 96 Cb 0.62 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3kag h ILE 96 CO 0.04 0.35 -0.28 0.11 0.00 0.00 0.00 178.15 178.38 3kag h LYS 97 N -0.05 0.51 0.00 2.37 1.57 -0.57 -2.15 116.57 118.25 3kag h LYS 97 Ca 0.03 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kag h LYS 97 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3kag h LYS 97 CO 0.03 0.74 0.00 -1.13 -0.57 0.00 0.00 179.45 178.52 3kag n SER 98 N -4.10 0.68 0.00 0.86 3.41 0.24 -4.89 113.62 109.82 3kag n SER 98 Ca -0.01 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3kag n SER 98 Cb 0.43 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3kag n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kag n GLY 99 N 0.03 0.64 0.19 5.00 0.00 -0.81 -4.94 105.19 105.30 3kag n GLY 99 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3kag n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kag h GLU 100 N 1.77 0.28 -4.24 1.61 4.81 -1.37 -3.44 114.58 114.01 3kag h GLU 100 Ca 0.00 -0.16 -0.19 0.00 -0.13 0.00 0.00 59.36 58.88 3kag h GLU 100 Cb 0.00 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 29.20 3kag h GLU 100 CO 0.00 0.72 -0.70 -1.21 -0.73 0.00 0.00 179.01 177.09 3kag s GLU 101 N -3.98 0.47 0.27 1.92 0.41 -0.91 -5.03 118.70 111.85 3kag s GLU 101 Ca -0.05 -0.84 0.01 0.00 -0.41 0.00 0.00 54.97 53.69 3kag s GLU 101 Cb 0.13 0.01 -0.04 0.00 -1.78 0.00 0.00 34.13 32.45 3kag s GLU 101 CO 0.79 -0.04 0.45 0.16 -0.49 0.00 0.00 175.26 176.13 3kag s ASP 102 N -1.94 6.33 0.25 -0.19 3.84 -1.26 -3.97 116.67 119.74 3kag s ASP 102 Ca -0.07 0.34 -0.05 0.00 -0.00 0.00 0.00 52.55 52.77 3kag s ASP 102 Cb -0.05 -1.98 0.47 0.00 -1.38 0.00 0.00 42.92 39.98 3kag s ASP 102 CO -0.03 -0.15 1.67 0.15 -0.00 0.00 0.00 175.17 176.81 3kag h PHE 103 N 1.29 0.19 -0.08 2.11 3.57 -1.95 -1.97 116.94 120.10 3kag h PHE 103 Ca -0.50 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 3kag h PHE 103 Cb 1.21 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3kag h PHE 103 CO 0.51 -0.13 -0.41 0.93 -2.23 0.00 0.00 178.31 176.98 3kag h GLU 104 N 0.22 0.17 0.09 1.11 3.07 -1.94 0.26 114.58 117.55 3kag h GLU 104 Ca 0.42 -0.08 -0.27 0.00 -0.50 0.00 0.00 59.36 58.94 3kag h GLU 104 Cb 0.74 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3kag h GLU 104 CO -0.56 0.56 -1.15 1.03 -1.40 0.00 0.00 179.01 177.49 3kag h SER 105 N 0.14 0.59 0.06 1.42 0.87 -1.73 -1.61 113.55 113.30 3kag h SER 105 Ca 0.01 -0.55 -0.16 0.00 -1.23 0.00 0.00 61.79 59.86 3kag h SER 105 Cb 0.79 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3kag h SER 105 CO 0.06 1.39 -0.56 -0.07 -0.53 0.00 0.00 176.83 177.12 3kag h LEU 106 N 0.18 0.59 -0.54 2.23 3.38 -0.94 -2.59 115.31 117.62 3kag h LEU 106 Ca -0.13 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3kag h LEU 106 Cb 1.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 3kag h LEU 106 CO 0.20 1.03 0.22 0.00 0.09 0.00 0.00 178.44 179.98 3kag h ALA 107 N 0.98 0.70 -0.57 1.53 0.00 -0.46 0.50 119.26 121.94 3kag h ALA 107 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kag h ALA 107 Cb 1.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kag h ALA 107 CO 0.10 0.31 0.32 0.77 0.00 0.00 0.00 179.25 180.76 3kag h SER 108 N 0.73 0.71 0.62 0.00 0.02 -1.27 -1.52 113.55 112.84 3kag h SER 108 Ca 0.18 -0.08 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 3kag h SER 108 Cb 0.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kag h SER 108 CO -0.01 0.58 -1.02 1.56 -1.14 0.00 0.00 176.83 176.80 3kag h GLN 109 N 0.77 0.23 0.00 3.45 4.20 -1.34 -3.43 115.11 118.99 3kag h GLN 109 Ca 0.20 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kag h GLN 109 Cb 0.03 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3kag h GLN 109 CO -0.03 1.07 0.00 1.19 -0.67 0.00 0.00 178.83 180.38 3kag n PHE 110 N -3.59 0.00 -2.15 2.96 3.01 0.16 -5.04 117.46 112.81 3kag n PHE 110 Ca -0.05 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.00 3kag n PHE 110 Cb 0.90 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.34 3kag n PHE 110 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kag s SER 111 N -0.42 6.81 0.00 4.37 0.15 -0.58 -4.81 113.70 119.22 3kag s SER 111 Ca 0.00 2.55 0.17 0.00 0.70 0.00 0.00 55.95 59.38 3kag s SER 111 Cb 0.00 -2.63 0.71 0.00 -1.71 0.00 0.00 66.02 62.39 3kag s SER 111 CO 0.00 -0.55 1.50 0.47 1.20 0.00 0.00 173.24 175.86 3kag n ASP 112 N 1.90 1.26 -4.87 5.45 8.00 0.61 -4.76 116.55 124.14 3kag n ASP 112 Ca 0.04 -1.71 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 3kag n ASP 112 Cb 0.42 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 3kag n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kag h SER 114 N 3.56 0.00 0.00 0.00 4.64 -2.00 -0.53 113.55 119.22 3kag h SER 114 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kag h SER 114 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kag h SER 114 CO 0.67 0.00 0.01 -1.54 -0.87 0.00 0.00 176.83 175.10 3kag n SER 115 N -2.92 0.28 -0.36 4.97 3.41 -1.26 -1.94 113.62 115.80 3kag n SER 115 Ca -0.01 0.63 0.27 0.00 -0.26 0.00 0.00 58.87 59.49 3kag n SER 115 Cb 0.17 -0.66 0.53 0.00 -0.26 0.00 0.00 64.21 64.00 3kag n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kag h ALA 116 N 1.97 2.27 0.00 7.33 0.00 -1.32 0.20 119.26 129.71 3kag h ALA 116 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kag h ALA 116 Cb 0.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kag h ALA 116 CO 0.00 -0.81 0.00 0.87 0.00 0.00 0.00 179.25 179.31 3kag h LYS 117 N 0.29 0.00 -0.73 0.00 1.79 -1.65 -2.05 116.57 114.23 3kag h LYS 117 Ca 0.71 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.70 3kag h LYS 117 Cb 1.85 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 32.22 3kag h LYS 117 CO -0.44 0.00 0.03 0.00 -1.08 0.00 0.00 179.45 177.97 3kag n ALA 118 N -1.99 5.28 -2.25 3.86 0.00 0.03 -4.92 120.51 120.53 3kag n ALA 118 Ca 0.01 -3.44 -0.20 0.00 0.00 0.00 0.00 53.44 49.81 3kag n ALA 118 Cb 0.25 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 3kag n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kag n ARG 119 N -0.93 -1.70 -0.44 0.00 1.74 -0.77 -1.84 116.66 112.72 3kag n ARG 119 Ca 0.48 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.55 3kag n ARG 119 Cb 0.95 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 3kag n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kag n GLY 120 N -0.87 1.44 3.72 -0.13 0.00 0.50 -4.70 105.19 105.15 3kag n GLY 120 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3kag n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kag s ASP 121 N -3.20 6.67 0.00 1.61 2.15 -0.77 -1.22 116.67 121.91 3kag s ASP 121 Ca 0.00 2.52 0.20 0.00 0.43 0.00 0.00 52.55 55.70 3kag s ASP 121 Cb 0.00 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 3kag s ASP 121 CO 0.00 -0.77 0.97 0.18 -0.17 0.00 0.00 175.17 175.38 3kag n LEU 122 N 3.99 1.68 0.00 -1.34 4.77 -0.18 -4.84 117.00 121.08 3kag n LEU 122 Ca 0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3kag n LEU 122 Cb 0.40 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kag n LEU 122 CO 0.60 0.33 -0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3kag n GLY 123 N 1.36 -2.07 3.89 -0.72 0.00 -1.25 -4.91 105.19 101.49 3kag n GLY 123 Ca 0.07 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3kag n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kag s ALA 124 N -1.06 3.58 0.17 4.61 0.00 -1.26 -3.15 121.76 124.65 3kag s ALA 124 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 3kag s ALA 124 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.77 3kag s ALA 124 CO 0.00 0.32 0.49 -0.59 0.00 0.00 0.00 175.76 175.99 3kag s PHE 125 N -2.01 -0.19 0.46 0.00 -0.12 0.50 -4.96 117.98 111.67 3kag s PHE 125 Ca 0.46 -0.13 0.05 0.00 -0.05 0.00 0.00 56.93 57.26 3kag s PHE 125 Cb -0.11 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 3kag s PHE 125 CO 0.27 -0.84 0.14 -1.54 -0.05 0.00 0.00 175.22 173.19 3kag s SER 126 N -2.84 4.28 0.61 1.98 1.04 -1.26 -1.55 113.70 115.96 3kag s SER 126 Ca 0.06 -1.31 -0.18 0.00 0.48 0.00 0.00 55.95 55.00 3kag s SER 126 Cb -0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 3kag s SER 126 CO -0.07 -0.70 1.22 -0.13 0.98 0.00 0.00 173.24 174.54 3kag s ARG 127 N -3.92 2.87 0.00 4.02 0.52 -1.26 -3.43 118.95 117.74 3kag s ARG 127 Ca 0.29 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 3kag s ARG 127 Cb 0.03 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.59 3kag s ARG 127 CO 0.16 -1.30 0.00 0.41 0.02 0.00 0.00 175.30 174.59 3kag n GLY 128 N 0.57 0.14 0.11 -3.53 0.00 -1.26 -4.98 105.19 96.24 3kag n GLY 128 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3kag n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kag n GLN 129 N -1.84 0.78 -3.65 1.61 6.02 -1.22 -5.03 117.38 114.04 3kag n GLN 129 Ca 0.00 0.07 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 3kag n GLN 129 Cb 0.00 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 3kag n GLN 129 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3kag s MET 130 N -2.46 2.94 0.28 -1.09 -1.94 -1.26 -5.07 119.30 110.69 3kag s MET 130 Ca -0.22 -1.14 -0.28 0.00 -1.71 0.00 0.00 55.69 52.35 3kag s MET 130 Cb 0.07 -2.66 -0.15 0.00 2.01 0.00 0.00 34.83 34.10 3kag s MET 130 CO 0.63 0.09 0.87 1.04 -0.01 0.00 0.00 175.02 177.64 3kag n GLN 131 N -1.51 0.99 -0.29 2.03 6.02 -1.26 -4.67 117.38 118.69 3kag n GLN 131 Ca -0.01 0.35 -0.05 0.00 -0.01 0.00 0.00 57.00 57.28 3kag n GLN 131 Cb 0.59 -1.63 0.07 0.00 1.02 0.00 0.00 30.24 30.29 3kag n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kag h LYS 132 N 1.68 1.10 -0.17 -1.09 1.63 -1.98 0.13 116.57 117.87 3kag h LYS 132 Ca -0.37 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.24 3kag h LYS 132 Cb 1.37 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3kag h LYS 132 CO 0.59 0.79 -0.23 -1.35 -3.45 0.00 0.00 179.45 175.81 3kag h PRO 133 N 1.10 0.30 -0.11 1.90 0.11 -1.90 0.33 132.00 133.73 3kag h PRO 133 Ca 0.28 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3kag h PRO 133 Cb -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3kag h PRO 133 CO -0.05 0.51 -0.09 0.35 -0.21 0.00 0.00 178.00 178.51 3kag h PHE 134 N 0.27 0.30 -0.30 0.65 3.57 -1.63 -2.52 116.94 117.28 3kag h PHE 134 Ca 0.05 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3kag h PHE 134 Cb 0.55 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3kag h PHE 134 CO 0.01 0.66 0.11 1.49 -2.23 0.00 0.00 178.31 178.35 3kag h GLU 135 N -0.13 0.45 -0.27 1.11 4.81 -0.42 0.02 114.58 120.15 3kag h GLU 135 Ca 0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kag h GLU 135 Cb 0.60 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3kag h GLU 135 CO 0.02 0.48 0.02 -0.44 -0.73 0.00 0.00 179.01 178.37 3kag h ASP 136 N 0.33 -0.06 -0.19 1.04 3.32 -0.39 -0.35 116.42 120.12 3kag h ASP 136 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kag h ASP 136 Cb 0.21 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kag h ASP 136 CO -0.01 0.00 0.12 0.00 -1.72 0.00 0.00 179.24 177.63 3kag h ALA 137 N 1.22 0.24 -0.54 3.45 0.00 -1.29 -1.44 119.26 120.89 3kag h ALA 137 Ca 0.13 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3kag h ALA 137 Cb 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3kag h ALA 137 CO -0.20 -0.27 0.08 0.77 0.00 0.00 0.00 179.25 179.64 3kag h SER 138 N 0.24 -0.06 1.11 0.00 0.02 -0.39 -1.89 113.55 112.58 3kag h SER 138 Ca 0.07 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kag h SER 138 Cb -0.01 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kag h SER 138 CO -0.01 -0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.16 3kag n PHE 139 N -5.15 0.29 0.18 3.45 3.01 -0.20 -3.01 117.46 116.03 3kag n PHE 139 Ca 0.07 0.09 0.11 0.00 1.01 0.00 0.00 57.45 58.73 3kag n PHE 139 Cb 0.29 -0.64 -0.03 0.00 -0.01 0.00 0.00 39.48 39.09 3kag n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kag n ALA 140 N -1.59 2.77 -1.77 4.37 0.00 -0.57 -4.86 120.51 118.86 3kag n ALA 140 Ca 0.06 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 3kag n ALA 140 Cb 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3kag n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kag s LEU 141 N -4.86 4.20 0.50 0.00 1.43 -0.83 -4.95 118.68 114.17 3kag s LEU 141 Ca -0.01 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.31 3kag s LEU 141 Cb 0.12 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 3kag s LEU 141 CO 0.82 -0.68 0.93 -0.13 0.23 0.00 0.00 176.35 177.52 3kag s ARG 142 N -2.28 3.86 0.22 1.70 3.00 -1.26 -4.99 118.95 119.19 3kag s ARG 142 Ca 0.57 0.79 -0.32 0.00 0.00 0.00 0.00 55.73 56.77 3kag s ARG 142 Cb -0.31 -2.20 -0.14 0.00 0.00 0.00 0.00 34.95 32.30 3kag s ARG 142 CO 0.39 -0.24 1.40 2.41 0.00 0.00 0.00 175.30 179.26 3kag n THR 143 N -1.66 0.82 0.00 0.02 -1.04 -1.26 -0.56 114.28 110.60 3kag n THR 143 Ca 0.05 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3kag n THR 143 Cb 0.54 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 3kag n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kag n GLY 144 N 2.29 2.50 3.89 3.41 0.00 0.11 -5.01 105.19 112.37 3kag n GLY 144 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3kag n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kag s GLU 145 N -0.57 3.73 0.01 1.61 2.12 0.27 -4.80 118.70 121.07 3kag s GLU 145 Ca 0.00 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.55 3kag s GLU 145 Cb 0.00 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3kag s GLU 145 CO 0.00 0.26 -0.14 1.41 -0.54 0.00 0.00 175.26 176.24 3kag s MET 146 N -3.16 2.29 0.82 4.30 -2.45 -1.26 -1.33 119.30 118.51 3kag s MET 146 Ca 0.46 -0.85 -0.12 0.00 -1.25 0.00 0.00 55.69 53.93 3kag s MET 146 Cb -0.11 -2.31 0.09 0.00 1.25 0.00 0.00 34.83 33.76 3kag s MET 146 CO 0.25 0.57 1.19 -1.54 1.05 0.00 0.00 175.02 176.55 3kag s SER 147 N -1.26 4.36 0.00 1.11 1.04 0.58 -4.73 113.70 114.80 3kag s SER 147 Ca 0.14 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3kag s SER 147 Cb -0.11 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.85 3kag s SER 147 CO 0.05 -1.99 0.00 0.61 0.98 0.00 0.00 173.24 172.89 3kag n GLY 148 N -3.35 -0.33 3.66 7.32 0.00 -0.34 -4.55 105.19 107.60 3kag n GLY 148 Ca 0.09 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3kag n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kag s PRO 149 N 0.36 4.15 -0.14 1.61 0.02 -1.26 -4.49 135.00 135.24 3kag s PRO 149 Ca 0.00 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3kag s PRO 149 Cb 0.00 -4.07 -0.01 0.00 0.02 0.00 0.00 34.50 30.44 3kag s PRO 149 CO 0.00 -0.92 -0.14 0.08 -0.33 0.00 0.00 177.00 175.69 3kag s VAL 150 N 4.29 2.85 -0.15 3.83 1.01 0.08 -4.72 120.40 127.60 3kag s VAL 150 Ca 0.81 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3kag s VAL 150 Cb -0.38 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3kag s VAL 150 CO 0.35 0.52 0.05 -0.36 0.00 0.00 0.00 175.10 175.65 3kag s PHE 151 N 0.60 3.24 0.30 5.22 0.40 -1.26 -0.42 117.98 126.05 3kag s PHE 151 Ca -0.08 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3kag s PHE 151 Cb -0.16 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 3kag s PHE 151 CO 0.03 0.27 0.15 0.95 0.70 0.00 0.00 175.22 177.32 3kag s THR 152 N -0.07 0.35 0.45 0.64 -4.23 -0.44 -4.78 115.64 107.57 3kag s THR 152 Ca 0.06 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.96 3kag s THR 152 Cb -0.12 -2.53 0.40 0.00 1.34 0.00 0.00 72.50 71.59 3kag s THR 152 CO 0.01 0.00 2.21 0.44 -0.54 0.00 0.00 174.62 176.75 3kag h ASP 153 N 2.25 0.00 0.81 3.99 3.32 -1.98 -1.80 116.42 123.01 3kag h ASP 153 Ca -0.34 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 3kag h ASP 153 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3kag h ASP 153 CO 0.53 0.00 -0.58 0.28 -1.72 0.00 0.00 179.24 177.75 3kag h SER 154 N 0.00 0.00 0.00 6.45 0.02 -1.95 -0.62 113.55 117.45 3kag h SER 154 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kag h SER 154 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kag h SER 154 CO 0.00 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 3kag n GLY 155 N 0.46 0.13 3.19 -3.77 0.00 -0.68 -4.62 105.19 99.91 3kag n GLY 155 Ca -0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3kag n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kag s ILE 156 N -4.00 2.16 0.20 -0.61 1.01 -0.53 -1.32 121.20 118.11 3kag s ILE 156 Ca 0.00 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 59.79 3kag s ILE 156 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3kag s ILE 156 CO 0.00 0.55 -0.06 -1.00 0.00 0.00 0.00 174.94 174.42 3kag s HIS 157 N 0.75 2.67 -0.16 3.97 3.76 0.43 -0.36 115.29 126.35 3kag s HIS 157 Ca -0.08 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.60 3kag s HIS 157 Cb -0.16 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 3kag s HIS 157 CO -0.00 0.54 -0.10 0.42 -0.85 0.00 0.00 174.74 174.75 3kag s ILE 158 N -1.87 3.17 -0.10 0.60 1.01 -0.63 -0.74 121.20 122.64 3kag s ILE 158 Ca 0.27 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.33 3kag s ILE 158 Cb -0.08 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3kag s ILE 158 CO 0.17 0.50 -0.13 -0.63 0.00 0.00 0.00 174.94 174.84 3kag s ILE 159 N 0.66 3.09 -0.18 2.92 1.01 -1.26 -1.06 121.20 126.38 3kag s ILE 159 Ca -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.92 3kag s ILE 159 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3kag s ILE 159 CO 0.02 0.55 -0.18 -0.22 0.00 0.00 0.00 174.94 175.12 3kag s LEU 160 N -0.11 2.27 -0.23 2.97 2.96 0.70 -0.31 118.68 126.94 3kag s LEU 160 Ca -0.01 -0.59 -0.26 0.00 -0.22 0.00 0.00 54.13 53.05 3kag s LEU 160 Cb -0.14 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3kag s LEU 160 CO 0.04 0.02 0.87 -0.60 -1.32 0.00 0.00 176.35 175.36 3kag s ARG 161 N 1.19 4.22 -0.01 1.98 3.52 -0.44 -1.54 118.95 127.86 3kag s ARG 161 Ca 0.02 1.04 0.13 0.00 -0.13 0.00 0.00 55.73 56.80 3kag s ARG 161 Cb -0.14 -3.63 -0.19 0.00 -1.56 0.00 0.00 34.95 29.43 3kag s ARG 161 CO -0.09 -0.51 0.39 0.25 -0.81 0.00 0.00 175.30 174.54 3kag n THR 162 N 5.17 0.00 -1.38 4.11 -2.24 0.70 0.04 114.28 120.68 3kag n THR 162 Ca 0.07 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3kag n THR 162 Cb 0.47 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3kag n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88