#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ILE 4 N 0.00 0.69 0.63 -0.18 1.01 -1.25 -4.36 121.20 117.74 3knh s ILE 4 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3knh s ILE 4 Cb 0.00 -0.62 0.10 0.00 0.01 0.00 0.00 42.46 41.95 3knh s ILE 4 CO 0.00 0.22 0.87 -0.60 0.00 0.00 0.00 174.94 175.43 3knh s ARG 5 N 0.20 2.07 -0.30 2.79 3.52 0.19 -2.53 118.95 124.90 3knh s ARG 5 Ca -0.03 -1.28 -0.06 0.00 -0.13 0.00 0.00 55.73 54.24 3knh s ARG 5 Cb -0.08 -2.49 0.19 0.00 -1.56 0.00 0.00 34.95 31.01 3knh s ARG 5 CO 0.00 -1.08 0.86 0.96 -0.81 0.00 0.00 175.30 175.23 3knh s ILE 6 N -2.88 -0.58 -0.30 4.11 -4.36 -1.13 -3.22 121.20 112.84 3knh s ILE 6 Ca 0.63 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.82 3knh s ILE 6 Cb -0.06 -0.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.88 3knh s ILE 6 CO 0.41 0.00 0.63 -0.54 0.24 0.00 0.00 174.94 175.68 3knh s LYS 7 N 2.91 3.92 -0.25 0.37 -0.14 -0.99 -2.52 119.74 123.04 3knh s LYS 7 Ca 0.15 0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 54.99 3knh s LYS 7 Cb -0.08 -3.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.31 3knh s LYS 7 CO -0.20 -0.56 0.13 -0.51 -0.76 0.00 0.00 175.35 173.45 3knh s LEU 8 N 2.60 3.82 0.00 3.17 1.43 0.21 -1.72 118.68 128.19 3knh s LEU 8 Ca 0.25 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3knh s LEU 8 Cb -0.15 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3knh s LEU 8 CO 0.11 0.00 0.00 0.54 0.23 0.00 0.00 176.35 177.24 3knh n ARG 9 N 4.70 2.61 0.00 1.70 1.74 -1.03 -1.39 116.66 125.00 3knh n ARG 9 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3knh n ARG 9 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3knh n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knh n GLY 10 N 5.00 0.94 0.10 -0.13 0.00 -1.25 -4.23 105.19 105.62 3knh n GLY 10 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3knh n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knh n PHE 11 N 0.05 0.00 -1.63 1.61 0.99 -1.26 -1.09 117.46 116.13 3knh n PHE 11 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 56.99 3knh n PHE 11 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.44 3knh n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3knh n ASP 12 N -2.05 3.39 0.00 4.37 4.64 -1.26 -4.41 116.55 121.23 3knh n ASP 12 Ca 0.00 0.72 0.01 0.00 -1.38 0.00 0.00 54.79 54.14 3knh n ASP 12 Cb 0.00 -1.43 0.08 0.00 -1.04 0.00 0.00 41.12 38.73 3knh n ASP 12 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knh n HIS 13 N 8.33 0.00 -0.12 -0.67 1.44 -1.26 -2.55 115.22 120.39 3knh n HIS 13 Ca 0.26 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.72 3knh n HIS 13 Cb 0.34 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.36 3knh n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3knh n LYS 14 N -0.60 0.57 -0.27 -1.40 5.02 -1.26 -2.90 118.16 117.33 3knh n LYS 14 Ca 0.02 0.34 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3knh n LYS 14 Cb 0.01 -1.56 0.21 0.00 -0.02 0.00 0.00 35.03 33.67 3knh n LYS 14 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3knh h THR 15 N -1.00 0.54 0.00 -0.18 1.35 -1.89 0.22 112.91 111.96 3knh h THR 15 Ca -0.53 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3knh h THR 15 Cb 1.44 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3knh h THR 15 CO -0.32 0.06 0.00 -0.11 -0.25 0.00 0.00 175.52 174.90 3knh n LEU 16 N -5.09 0.14 -0.51 3.87 -0.00 -1.18 -1.82 117.00 112.41 3knh n LEU 16 Ca 0.16 0.78 0.44 0.00 -0.00 0.00 0.00 56.01 57.40 3knh n LEU 16 Cb 0.49 -0.38 0.77 0.00 -0.00 0.00 0.00 43.42 44.29 3knh n LEU 16 CO 0.14 -0.38 1.41 -0.78 -0.00 0.00 0.00 177.39 177.77 3knh h ASP 17 N 0.00 0.00 0.00 1.96 3.58 -1.36 0.19 116.42 120.79 3knh h ASP 17 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3knh h ASP 17 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3knh h ASP 17 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 3knh n ALA 18 N -2.80 -0.03 -0.33 -0.78 0.00 0.76 -2.60 120.51 114.74 3knh n ALA 18 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.96 3knh n ALA 18 Cb 1.68 0.00 0.40 0.00 0.00 0.00 0.00 19.45 21.53 3knh n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3knh h SER 19 N 0.00 0.64 -0.85 0.00 4.64 -1.07 0.40 113.55 117.31 3knh h SER 19 Ca 0.00 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3knh h SER 19 Cb 0.00 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.01 3knh h SER 19 CO 0.00 0.19 0.52 0.00 -0.87 0.00 0.00 176.83 176.66 3knh h ALA 20 N 1.65 1.19 0.00 5.18 0.00 -0.76 -0.45 119.26 126.07 3knh h ALA 20 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3knh h ALA 20 Cb 1.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3knh h ALA 20 CO -0.35 0.22 0.00 0.94 0.00 0.00 0.00 179.25 180.06 3knh n GLN 21 N -4.66 0.93 -0.09 0.00 7.27 0.14 -2.66 117.38 118.30 3knh n GLN 21 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.06 3knh n GLN 21 Cb 0.21 -1.20 -0.09 0.00 2.41 0.00 0.00 30.24 31.57 3knh n GLN 21 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3knh n LYS 22 N -0.26 0.47 -0.92 3.69 0.00 -0.19 -4.43 118.16 116.51 3knh n LYS 22 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 58.31 58.23 3knh n LYS 22 Cb 0.10 -1.36 -0.09 0.00 0.00 0.00 0.00 35.03 33.68 3knh n LYS 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3knh n ILE 23 N -3.13 2.90 0.00 3.15 5.41 -1.09 -2.53 119.36 124.08 3knh n ILE 23 Ca -0.34 -1.60 0.00 0.00 1.00 0.00 0.00 62.75 61.81 3knh n ILE 23 Cb 0.85 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 3knh n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3knh n VAL 24 N 3.15 0.00 -0.11 1.39 0.31 -1.26 -4.80 118.33 117.01 3knh n VAL 24 Ca 0.48 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.59 3knh n VAL 24 Cb 0.50 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 3knh n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knh n GLU 25 N -1.27 0.56 -0.54 5.55 -0.58 -1.05 -1.74 120.64 121.57 3knh n GLU 25 Ca 0.00 0.49 -0.08 0.00 -0.42 0.00 0.00 57.16 57.15 3knh n GLU 25 Cb 0.00 -1.68 0.04 0.00 -0.57 0.00 0.00 31.44 29.23 3knh n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knh n ALA 26 N -3.66 4.01 0.00 0.62 0.00 -1.19 -1.97 120.51 118.32 3knh n ALA 26 Ca -0.34 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3knh n ALA 26 Cb 0.68 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3knh n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh n ALA 27 N 0.42 0.81 0.67 0.00 0.00 -1.26 -4.77 120.51 116.39 3knh n ALA 27 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.72 3knh n ALA 27 Cb 0.69 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.16 3knh n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 28 N -0.57 0.22 0.02 0.00 1.74 -0.71 -2.86 116.66 114.50 3knh n ARG 28 Ca 0.00 -0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 3knh n ARG 28 Cb 0.00 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 29.77 3knh n ARG 28 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3knh h ARG 29 N 0.00 0.00 0.00 5.56 2.43 -1.64 -3.39 114.38 117.33 3knh h ARG 29 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 3knh h ARG 29 Cb 0.67 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3knh h ARG 29 CO 0.00 0.52 -2.13 -1.13 -1.51 0.00 0.00 179.97 175.72 3knh n SER 30 N -3.07 1.21 -4.92 -3.80 3.41 -1.26 -4.98 113.62 100.21 3knh n SER 30 Ca -0.10 -0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 3knh n SER 30 Cb 0.94 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.58 3knh n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3knh s GLY 31 N -5.16 1.44 0.00 5.00 0.00 -1.14 -4.30 107.32 103.17 3knh s GLY 31 Ca -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3knh s GLY 31 CO 0.64 -1.38 0.20 0.00 0.00 0.00 0.00 173.10 172.56 3knh n ALA 32 N -1.41 0.00 -2.74 3.20 0.00 -1.26 -4.55 120.51 113.75 3knh n ALA 32 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 3knh n ALA 32 Cb 0.58 0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 3knh n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3knh s GLN 33 N -0.41 0.57 -0.46 0.00 -0.21 -1.26 -4.77 119.66 113.12 3knh s GLN 33 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.07 3knh s GLN 33 Cb 0.00 -0.52 0.13 0.00 1.00 0.00 0.00 33.01 33.62 3knh s GLN 33 CO 0.00 0.14 0.25 0.08 -2.12 0.00 0.00 175.29 173.63 3knh s VAL 34 N -0.35 1.76 0.07 1.09 1.01 -1.26 -2.26 120.40 120.46 3knh s VAL 34 Ca 0.01 -2.79 -0.20 0.00 0.00 0.00 0.00 61.98 59.00 3knh s VAL 34 Cb -0.04 -2.23 -0.11 0.00 0.00 0.00 0.00 36.38 34.00 3knh s VAL 34 CO -0.00 -0.87 0.46 -1.54 0.00 0.00 0.00 175.10 173.16 3knh n SER 35 N 3.41 -0.43 -4.18 3.32 3.41 -0.81 -4.77 113.62 113.58 3knh n SER 35 Ca 0.08 0.69 -0.35 0.00 -0.26 0.00 0.00 58.87 59.03 3knh n SER 35 Cb 0.34 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 63.81 3knh n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knh n GLY 36 N 1.08 -3.01 3.63 5.00 0.00 -1.26 -3.79 105.19 106.83 3knh n GLY 36 Ca 0.11 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3knh n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knh s PRO 37 N -2.82 3.79 -0.18 1.61 0.02 -1.26 -4.67 135.00 131.50 3knh s PRO 37 Ca 0.48 1.52 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 3knh s PRO 37 Cb -0.10 -4.00 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 3knh s PRO 37 CO 0.70 -1.29 0.03 0.96 -0.33 0.00 0.00 177.00 177.08 3knh s ILE 38 N 5.09 4.45 -0.46 2.83 -4.36 0.18 -4.91 121.20 124.02 3knh s ILE 38 Ca 0.68 -0.15 -0.20 0.00 -0.26 0.00 0.00 60.65 60.72 3knh s ILE 38 Cb -0.22 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.52 3knh s ILE 38 CO 0.28 0.46 0.60 -2.16 0.24 0.00 0.00 174.94 174.36 3knh s PRO 39 N 0.50 3.19 0.51 0.37 0.05 -1.26 -0.34 135.00 138.03 3knh s PRO 39 Ca 0.01 -0.61 -0.19 0.00 0.05 0.00 0.00 61.00 60.26 3knh s PRO 39 Cb -0.13 -4.00 -0.07 0.00 0.05 0.00 0.00 34.50 30.34 3knh s PRO 39 CO 0.01 -1.05 1.02 -0.48 0.05 0.00 0.00 177.00 176.56 3knh s LEU 40 N 2.63 3.73 0.17 -3.56 2.34 -1.26 -4.95 118.68 117.78 3knh s LEU 40 Ca 0.18 1.81 -0.32 0.00 0.06 0.00 0.00 54.13 55.86 3knh s LEU 40 Cb -0.16 -4.54 -0.16 0.00 -0.56 0.00 0.00 46.19 40.76 3knh s LEU 40 CO 0.16 -0.79 1.03 -0.81 -1.06 0.00 0.00 176.35 174.87 3knh n PRO 41 N -1.30 0.86 -2.23 1.48 -0.04 -1.26 -4.30 135.00 128.20 3knh n PRO 41 Ca 0.08 0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 63.46 3knh n PRO 41 Cb 0.53 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3knh n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3knh s THR 42 N -0.40 3.50 0.22 0.52 2.01 -1.26 -4.74 115.64 115.48 3knh s THR 42 Ca 0.72 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.64 3knh s THR 42 Cb -0.90 -4.31 -0.15 0.00 0.01 0.00 0.00 72.50 67.15 3knh s THR 42 CO 0.54 -1.27 1.08 0.54 -0.69 0.00 0.00 174.62 174.82 3knh n ARG 43 N 9.24 1.20 -4.97 4.92 5.12 -1.19 -4.88 116.66 126.10 3knh n ARG 43 Ca 0.15 0.43 -0.32 0.00 -1.93 0.00 0.00 57.85 56.18 3knh n ARG 43 Cb 0.51 -1.86 -0.14 0.00 -1.16 0.00 0.00 32.46 29.81 3knh n ARG 43 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3knh s VAL 44 N -0.55 2.81 -0.51 1.55 1.01 -1.26 -3.24 120.40 120.20 3knh s VAL 44 Ca 0.67 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3knh s VAL 44 Cb -0.79 -2.10 0.16 0.00 0.00 0.00 0.00 36.38 33.65 3knh s VAL 44 CO 0.55 0.57 0.37 -0.13 0.00 0.00 0.00 175.10 176.47 3knh s ARG 45 N -0.43 1.49 0.15 2.72 1.81 -1.15 -4.98 118.95 118.57 3knh s ARG 45 Ca 0.05 -2.49 -0.30 0.00 -1.72 0.00 0.00 55.73 51.27 3knh s ARG 45 Cb -0.12 -2.25 -0.07 0.00 -0.45 0.00 0.00 34.95 32.06 3knh s ARG 45 CO 0.02 -1.31 0.97 1.03 -0.68 0.00 0.00 175.30 175.32 3knh s ARG 46 N -0.38 4.74 -0.35 3.54 0.52 -1.26 -0.27 118.95 125.48 3knh s ARG 46 Ca 0.27 1.49 0.02 0.00 -0.52 0.00 0.00 55.73 56.99 3knh s ARG 46 Cb -0.04 -3.34 0.11 0.00 0.52 0.00 0.00 34.95 32.19 3knh s ARG 46 CO -0.15 0.29 0.10 -0.06 0.02 0.00 0.00 175.30 175.50 3knh s PHE 47 N -0.36 2.92 0.23 -0.53 2.99 0.88 -4.97 117.98 119.13 3knh s PHE 47 Ca 0.45 -2.57 -0.16 0.00 0.00 0.00 0.00 56.93 54.66 3knh s PHE 47 Cb -0.25 -2.45 -0.08 0.00 0.00 0.00 0.00 43.02 40.24 3knh s PHE 47 CO 0.31 -0.89 0.66 0.99 -0.00 0.00 0.00 175.22 176.28 3knh s THR 48 N 0.97 4.73 0.05 0.64 2.01 -1.26 -2.85 115.64 119.92 3knh s THR 48 Ca 0.12 0.96 -0.27 0.00 0.31 0.00 0.00 61.69 62.81 3knh s THR 48 Cb -0.20 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.68 3knh s THR 48 CO -0.12 0.07 0.77 0.54 -0.69 0.00 0.00 174.62 175.19 3knh s VAL 49 N -1.67 0.00 0.29 3.82 0.11 -0.79 -4.99 120.40 117.17 3knh s VAL 49 Ca 0.45 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.21 3knh s VAL 49 Cb -0.14 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.61 3knh s VAL 49 CO 0.20 0.00 1.30 -0.63 -3.33 0.00 0.00 175.10 172.64 3knh s ILE 50 N -3.16 2.86 -0.00 7.04 -1.09 -1.26 -2.13 121.20 123.45 3knh s ILE 50 Ca 0.02 0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 59.22 3knh s ILE 50 Cb -0.01 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 3knh s ILE 50 CO -0.09 0.18 0.58 0.03 -1.23 0.00 0.00 174.94 174.41 3knh h ARG 51 N 3.95 -0.14 -7.02 2.79 3.08 -1.83 -3.44 114.38 111.77 3knh h ARG 51 Ca -0.48 0.01 -0.56 0.00 0.07 0.00 0.00 59.98 59.02 3knh h ARG 51 Cb 1.22 0.03 0.16 0.00 0.08 0.00 0.00 29.97 31.46 3knh h ARG 51 CO 0.69 -0.09 0.43 0.41 -1.07 0.00 0.00 179.97 180.34 3knh n GLY 52 N 0.34 0.38 0.13 0.04 0.00 -1.26 -4.90 105.19 99.92 3knh n GLY 52 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3knh n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knh n PRO 53 N -1.50 1.17 0.00 1.61 -0.04 -1.26 -4.75 135.00 130.23 3knh n PRO 53 Ca 0.14 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3knh n PRO 53 Cb 0.47 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3knh n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3knh n PHE 54 N -0.34 0.00 -2.20 0.54 7.35 -1.26 -5.05 117.46 116.49 3knh n PHE 54 Ca 0.05 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.70 3knh n PHE 54 Cb 0.08 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.98 3knh n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 3knh n LYS 55 N 0.00 1.80 -3.38 -4.13 2.85 -1.26 -4.96 118.16 109.08 3knh n LYS 55 Ca 0.00 -3.28 -0.44 0.00 -1.05 0.00 0.00 58.31 53.54 3knh n LYS 55 Cb 0.00 -1.42 -0.01 0.00 -0.65 0.00 0.00 35.03 32.95 3knh n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3knh s HIS 56 N -2.71 4.15 -1.97 5.58 3.76 -1.26 -4.89 115.29 117.95 3knh s HIS 56 Ca 0.38 -2.63 0.00 0.00 -0.15 0.00 0.00 55.06 52.66 3knh s HIS 56 Cb 0.37 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 30.30 3knh s HIS 56 CO -0.06 -0.93 0.39 1.63 -0.85 0.00 0.00 174.74 174.92 3knh n LYS 57 N 2.86 0.00 -1.57 1.40 4.76 -1.26 -4.63 118.16 119.72 3knh n LYS 57 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 3knh n LYS 57 Cb 0.40 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3knh n LYS 57 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3knh n ASP 58 N -0.89 1.05 -3.78 4.39 8.00 -1.26 -4.81 116.55 119.25 3knh n ASP 58 Ca 0.00 -0.78 -0.29 0.00 0.71 0.00 0.00 54.79 54.43 3knh n ASP 58 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3knh n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3knh n SER 59 N -1.53 -0.67 -3.06 -2.24 3.41 -1.26 -4.68 113.62 103.59 3knh n SER 59 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3knh n SER 59 Cb 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 3knh n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3knh n ARG 60 N -3.30 2.51 -3.58 4.33 1.74 -1.26 -4.66 116.66 112.44 3knh n ARG 60 Ca -0.02 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 3knh n ARG 60 Cb 0.39 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.77 3knh n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3knh s GLU 61 N 0.00 0.93 -0.04 5.56 2.12 -0.91 -4.73 118.70 121.64 3knh s GLU 61 Ca 0.00 0.62 -0.13 0.00 0.36 0.00 0.00 54.97 55.83 3knh s GLU 61 Cb 0.00 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.86 3knh s GLU 61 CO 0.00 -0.21 0.29 -3.38 -0.54 0.00 0.00 175.26 171.42 3knh s HIS 62 N -0.40 -0.20 0.28 5.30 -3.43 -1.26 -1.89 115.29 113.69 3knh s HIS 62 Ca -0.05 0.38 0.03 0.00 -0.80 0.00 0.00 55.06 54.62 3knh s HIS 62 Cb -0.03 0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 3knh s HIS 62 CO 0.05 -0.31 0.24 -0.59 -2.00 0.00 0.00 174.74 172.13 3knh s PHE 63 N -0.89 1.47 0.26 0.38 -0.00 -1.13 -4.98 117.98 113.08 3knh s PHE 63 Ca -0.10 -1.52 -0.01 0.00 -0.00 0.00 0.00 56.93 55.31 3knh s PHE 63 Cb -0.05 -0.60 -0.03 0.00 -0.00 0.00 0.00 43.02 42.35 3knh s PHE 63 CO 0.03 -0.81 0.28 -1.83 -0.00 0.00 0.00 175.22 172.89 3knh s GLU 64 N -3.70 1.50 -0.59 1.99 -1.05 -1.26 -0.09 118.70 115.51 3knh s GLU 64 Ca 0.39 -1.69 -0.03 0.00 -0.15 0.00 0.00 54.97 53.49 3knh s GLU 64 Cb 0.04 0.34 0.15 0.00 -0.44 0.00 0.00 34.13 34.22 3knh s GLU 64 CO 0.21 -0.56 0.40 -1.17 0.95 0.00 0.00 175.26 175.09 3knh s LEU 65 N -3.20 5.24 -1.21 1.83 2.96 0.63 -4.95 118.68 119.98 3knh s LEU 65 Ca 0.36 -2.71 -0.19 0.00 -0.22 0.00 0.00 54.13 51.36 3knh s LEU 65 Cb 0.04 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.94 3knh s LEU 65 CO 0.17 -0.40 1.64 -0.13 -1.32 0.00 0.00 176.35 176.30 3knh s ARG 66 N 0.15 3.86 -0.15 1.98 0.52 -1.26 -2.94 118.95 121.11 3knh s ARG 66 Ca 0.15 -1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 3knh s ARG 66 Cb -0.21 -5.47 -0.01 0.00 0.52 0.00 0.00 34.95 29.79 3knh s ARG 66 CO -0.03 -2.23 1.09 -0.08 0.02 0.00 0.00 175.30 174.06 3knh s THR 67 N 4.39 4.59 0.53 0.02 -1.32 -1.20 -4.70 115.64 117.96 3knh s THR 67 Ca 0.51 1.89 0.02 0.00 -1.21 0.00 0.00 61.69 62.90 3knh s THR 67 Cb 0.03 -4.22 0.03 0.00 -1.51 0.00 0.00 72.50 66.82 3knh s THR 67 CO 0.02 -0.08 0.75 -1.00 -2.21 0.00 0.00 174.62 172.10 3knh s HIS 68 N 2.65 2.88 0.21 9.09 3.76 -0.25 -3.18 115.29 130.45 3knh s HIS 68 Ca 0.49 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 55.41 3knh s HIS 68 Cb -0.19 -2.69 -0.05 0.00 1.11 0.00 0.00 32.58 30.76 3knh s HIS 68 CO 0.14 -0.80 -0.00 -0.80 -0.85 0.00 0.00 174.74 172.43 3knh s ASN 69 N -4.40 1.58 -0.29 1.40 0.01 -1.26 -3.91 114.94 108.06 3knh s ASN 69 Ca 0.56 -1.20 -0.20 0.00 -0.71 0.00 0.00 52.86 51.31 3knh s ASN 69 Cb -0.10 0.05 0.17 0.00 0.41 0.00 0.00 41.25 41.78 3knh s ASN 69 CO 0.38 -0.53 1.19 -0.60 -1.51 0.00 0.00 177.10 176.03 3knh s ARG 70 N -3.88 0.22 -0.02 -0.60 6.06 -0.48 -4.34 118.95 115.91 3knh s ARG 70 Ca 0.27 0.33 0.04 0.00 -2.50 0.00 0.00 55.73 53.86 3knh s ARG 70 Cb 0.06 0.08 -0.01 0.00 0.06 0.00 0.00 34.95 35.14 3knh s ARG 70 CO 0.07 -0.04 -0.13 -1.17 -2.50 0.00 0.00 175.30 171.53 3knh s LEU 71 N 0.69 1.95 -0.05 -0.88 2.96 0.54 0.63 118.68 124.52 3knh s LEU 71 Ca -0.02 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3knh s LEU 71 Cb -0.04 -0.73 0.04 0.00 0.50 0.00 0.00 46.19 45.96 3knh s LEU 71 CO -0.12 0.14 0.10 -0.69 -1.32 0.00 0.00 176.35 174.46 3knh s VAL 72 N -0.13 -0.09 0.02 1.68 1.01 -1.05 -0.65 120.40 121.20 3knh s VAL 72 Ca 0.02 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.32 3knh s VAL 72 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3knh s VAL 72 CO 0.00 0.10 -0.22 -1.81 0.00 0.00 0.00 175.10 173.17 3knh s ASP 73 N 1.42 2.64 0.22 3.32 1.01 -1.25 -2.86 116.67 121.18 3knh s ASP 73 Ca -0.06 -0.49 0.05 0.00 0.71 0.00 0.00 52.55 52.76 3knh s ASP 73 Cb -0.12 -0.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.53 3knh s ASP 73 CO -0.05 0.22 0.29 0.27 0.21 0.00 0.00 175.17 176.11 3knh s ILE 74 N -0.70 5.03 -0.08 0.77 -4.36 -1.05 -1.92 121.20 118.89 3knh s ILE 74 Ca 0.09 -1.05 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 3knh s ILE 74 Cb -0.09 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 3knh s ILE 74 CO 0.01 -0.28 -0.03 2.30 0.24 0.00 0.00 174.94 177.17 3knh n ILE 75 N -1.15 0.48 -3.52 8.37 -5.35 -0.96 -3.06 119.36 114.18 3knh n ILE 75 Ca -0.08 -0.23 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 3knh n ILE 75 Cb 0.57 -0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 37.55 3knh n ILE 75 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3knh s ASN 76 N -4.40 5.93 -1.29 7.28 2.47 -1.26 -1.30 114.94 122.37 3knh s ASN 76 Ca -0.08 -1.03 -0.18 0.00 0.42 0.00 0.00 52.86 51.99 3knh s ASN 76 Cb 0.03 -2.09 0.08 0.00 -1.45 0.00 0.00 41.25 37.81 3knh s ASN 76 CO 0.23 -0.45 1.71 -2.84 -3.72 0.00 0.00 177.10 172.04 3knh s PRO 77 N 1.60 3.99 0.19 0.43 0.02 -1.26 -4.43 135.00 135.54 3knh s PRO 77 Ca 0.03 -2.01 0.11 0.00 0.02 0.00 0.00 61.00 59.16 3knh s PRO 77 Cb -0.20 -5.51 -0.04 0.00 0.02 0.00 0.00 34.50 28.77 3knh s PRO 77 CO 0.08 -2.23 -0.23 0.54 -0.33 0.00 0.00 177.00 174.82 3knh s ASN 78 N 4.17 3.36 0.20 2.53 4.22 -1.26 -5.02 114.94 123.14 3knh s ASN 78 Ca 0.53 -0.87 -0.10 0.00 -2.14 0.00 0.00 52.86 50.28 3knh s ASN 78 Cb 0.04 -0.24 0.14 0.00 1.28 0.00 0.00 41.25 42.46 3knh s ASN 78 CO 0.07 0.11 1.83 0.03 -2.04 0.00 0.00 177.10 177.10 3knh h ARG 79 N 3.21 0.99 -0.81 3.55 2.47 -1.95 -1.19 114.38 120.65 3knh h ARG 79 Ca -0.46 -0.10 0.15 0.00 -1.26 0.00 0.00 59.98 58.31 3knh h ARG 79 Cb 1.21 -0.20 -0.15 0.00 -1.65 0.00 0.00 29.97 29.18 3knh h ARG 79 CO 0.48 0.71 -0.29 -0.22 0.56 0.00 0.00 179.97 181.21 3knh h LYS 80 N 0.99 -0.05 0.44 0.04 3.11 -1.96 -1.25 116.57 117.89 3knh h LYS 80 Ca 0.26 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.08 3knh h LYS 80 Cb -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3knh h LYS 80 CO -0.05 -0.03 -0.21 1.79 -2.81 0.00 0.00 179.45 178.14 3knh h THR 81 N -0.05 0.38 0.00 1.00 1.35 -1.63 -3.19 112.91 110.77 3knh h THR 81 Ca 0.34 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3knh h THR 81 Cb 0.59 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3knh h THR 81 CO -0.85 0.07 0.15 -0.38 -0.25 0.00 0.00 175.52 174.26 3knh n ILE 82 N -5.21 0.38 -0.10 6.82 2.08 -0.49 -0.93 119.36 121.91 3knh n ILE 82 Ca -0.10 0.25 -0.19 0.00 0.56 0.00 0.00 62.75 63.27 3knh n ILE 82 Cb 0.29 -1.25 -0.10 0.00 -0.75 0.00 0.00 39.64 37.83 3knh n ILE 82 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3knh h GLU 83 N 0.00 0.00 -0.42 0.38 4.81 -1.35 -2.62 114.58 115.37 3knh h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3knh h GLU 83 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3knh h GLU 83 CO 0.00 0.88 0.00 1.04 -0.73 0.00 0.00 179.01 180.20 3knh n GLN 84 N -4.47 0.64 0.05 1.92 3.00 -0.11 -2.87 117.38 115.54 3knh n GLN 84 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 3knh n GLN 84 Cb 0.61 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.64 3knh n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3knh n LEU 85 N -0.05 0.30 0.00 1.08 4.77 -1.20 -4.39 117.00 117.51 3knh n LEU 85 Ca 0.00 0.15 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3knh n LEU 85 Cb 0.11 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3knh n LEU 85 CO 0.00 -0.64 0.34 0.80 -1.33 0.00 0.00 177.39 176.56 3knh n MET 86 N -3.00 0.60 0.10 3.23 1.56 -0.99 -3.97 117.12 114.65 3knh n MET 86 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3knh n MET 86 Cb 0.00 -1.04 0.00 0.00 2.15 0.00 0.00 33.22 34.33 3knh n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3knh n THR 87 N -0.54 0.36 -2.26 1.12 -2.24 -1.14 -5.01 114.28 104.57 3knh n THR 87 Ca 0.01 0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.51 3knh n THR 87 Cb 0.00 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 3knh n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3knh s LEU 88 N -6.69 3.25 0.33 3.22 2.96 -1.23 -4.98 118.68 115.54 3knh s LEU 88 Ca 0.00 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3knh s LEU 88 Cb 0.00 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 3knh s LEU 88 CO 0.00 -2.13 0.21 -1.81 -1.32 0.00 0.00 176.35 171.30 3knh s ASP 89 N 6.17 4.98 0.00 3.68 1.01 -1.26 -4.54 116.67 126.71 3knh s ASP 89 Ca 0.54 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 53.17 3knh s ASP 89 Cb -0.11 -0.87 0.00 0.00 1.01 0.00 0.00 42.92 42.96 3knh s ASP 89 CO 0.19 -0.31 0.67 0.18 0.21 0.00 0.00 175.17 176.11 3knh n LEU 90 N -1.24 -0.61 -4.55 1.23 4.32 -1.26 -5.10 117.00 109.78 3knh n LEU 90 Ca -0.03 -1.34 -0.37 0.00 -0.02 0.00 0.00 56.01 54.25 3knh n LEU 90 Cb 0.60 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 3knh n LEU 90 CO 0.43 1.17 1.44 -2.16 -1.22 0.00 0.00 177.39 177.04 3knh s PRO 91 N 0.00 2.84 0.50 3.23 0.04 -1.26 -4.81 135.00 135.54 3knh s PRO 91 Ca 0.00 0.07 0.27 0.00 0.04 0.00 0.00 61.00 61.37 3knh s PRO 91 Cb 0.00 -4.56 1.36 0.00 0.04 0.00 0.00 34.50 31.34 3knh s PRO 91 CO 0.00 -2.66 1.89 0.00 0.04 0.00 0.00 177.00 176.27 3knh h THR 92 N 6.74 0.61 0.00 1.26 1.03 -1.99 -3.38 112.91 117.18 3knh h THR 92 Ca -0.15 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 3knh h THR 92 Cb 1.09 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 3knh h THR 92 CO 1.25 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 177.39 3knh n GLY 93 N -1.65 0.00 3.96 2.99 0.00 -1.26 -5.16 105.19 104.07 3knh n GLY 93 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3knh n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knh s VAL 94 N 0.00 4.10 0.24 1.61 1.01 -1.26 -4.77 120.40 121.32 3knh s VAL 94 Ca 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3knh s VAL 94 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3knh s VAL 94 CO 0.00 -0.31 0.17 -0.70 0.00 0.00 0.00 175.10 174.26 3knh s GLU 95 N -4.46 2.87 -0.09 2.72 2.56 -1.26 -4.87 118.70 116.17 3knh s GLU 95 Ca 0.47 -1.05 -0.02 0.00 0.00 0.00 0.00 54.97 54.37 3knh s GLU 95 Cb -0.10 -2.54 0.03 0.00 2.00 0.00 0.00 34.13 33.52 3knh s GLU 95 CO 0.36 0.41 0.01 0.96 -0.56 0.00 0.00 175.26 176.45 3knh s ILE 96 N -2.08 0.37 -0.19 -3.70 -0.00 -1.26 -2.45 121.20 111.88 3knh s ILE 96 Ca 0.32 0.02 -0.06 0.00 -0.00 0.00 0.00 60.65 60.93 3knh s ILE 96 Cb -0.08 -0.60 -0.03 0.00 -0.00 0.00 0.00 42.46 41.74 3knh s ILE 96 CO 0.24 0.17 0.03 -1.61 -0.00 0.00 0.00 174.94 173.78 3knh s GLU 97 N 1.96 3.78 -0.37 0.37 0.41 -0.70 -4.96 118.70 119.21 3knh s GLU 97 Ca 0.04 -0.44 -0.09 0.00 -0.41 0.00 0.00 54.97 54.07 3knh s GLU 97 Cb -0.13 -3.15 0.04 0.00 -1.78 0.00 0.00 34.13 29.11 3knh s GLU 97 CO -0.06 0.13 0.18 0.42 -0.49 0.00 0.00 175.26 175.44 3knh s ILE 98 N 0.74 4.23 0.11 -1.63 1.09 -1.26 -2.34 121.20 122.13 3knh s ILE 98 Ca 0.02 -1.06 0.03 0.00 -1.10 0.00 0.00 60.65 58.53 3knh s ILE 98 Cb -0.14 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.80 3knh s ILE 98 CO 0.02 -0.27 -0.08 -0.54 -0.10 0.00 0.00 174.94 173.98 3knh s LYS 99 N 1.48 0.89 0.02 2.79 -0.14 -1.20 -5.00 119.74 118.57 3knh s LYS 99 Ca 0.01 -1.35 -0.17 0.00 -1.36 0.00 0.00 55.97 53.10 3knh s LYS 99 Cb -0.20 -0.33 0.03 0.00 -1.68 0.00 0.00 37.83 35.65 3knh s LYS 99 CO 0.04 0.01 0.37 0.95 -0.76 0.00 0.00 175.35 175.97 3knh s THR 100 N -3.47 0.06 0.00 2.17 -4.23 -1.26 0.56 115.64 109.47 3knh s THR 100 Ca 0.12 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3knh s THR 100 Cb 0.04 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.03 3knh s THR 100 CO -0.03 -0.27 0.00 1.33 -0.54 0.00 0.00 174.62 175.11