#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ASN 9 N 0.00 6.44 -0.38 0.55 0.01 -1.26 -5.07 114.94 115.24 3knh s ASN 9 Ca 0.00 0.46 -0.04 0.00 -0.71 0.00 0.00 52.86 52.58 3knh s ASN 9 Cb 0.00 -2.04 0.08 0.00 0.41 0.00 0.00 41.25 39.70 3knh s ASN 9 CO 0.00 0.18 0.15 -0.22 -1.51 0.00 0.00 177.10 175.70 3knh s LEU 10 N -2.20 4.82 -0.84 0.60 0.20 -1.26 -5.04 118.68 114.96 3knh s LEU 10 Ca 0.33 -1.70 -0.25 0.00 0.69 0.00 0.00 54.13 53.20 3knh s LEU 10 Cb -0.13 -1.82 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 3knh s LEU 10 CO 0.22 -0.45 1.52 -0.44 -0.29 0.00 0.00 176.35 176.91 3knh s SER 11 N 1.68 6.00 0.00 3.68 0.01 -1.26 -3.34 113.70 120.48 3knh s SER 11 Ca 0.03 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.58 3knh s SER 11 Cb -0.22 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.45 3knh s SER 11 CO -0.02 -1.94 0.00 0.00 0.41 0.00 0.00 173.24 171.69 3knh n ALA 12 N 10.38 0.00 0.10 1.44 0.00 -1.26 -4.80 120.51 126.36 3knh n ALA 12 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.71 3knh n ALA 12 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.25 3knh n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3knh n LEU 13 N 0.00 0.29 0.02 0.00 -0.00 -1.21 0.40 117.00 116.50 3knh n LEU 13 Ca 0.00 0.58 0.11 0.00 -0.00 0.00 0.00 56.01 56.70 3knh n LEU 13 Cb 0.12 -0.60 0.55 0.00 -0.00 0.00 0.00 43.42 43.49 3knh n LEU 13 CO 0.00 -0.68 1.16 0.50 -0.00 0.00 0.00 177.39 178.37 3knh h LYS 14 N 0.00 0.28 0.00 1.47 3.64 -1.89 0.28 116.57 120.34 3knh h LYS 14 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3knh h LYS 14 Cb 0.20 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3knh h LYS 14 CO 0.00 0.18 -0.01 0.00 -2.27 0.00 0.00 179.45 177.36 3knh h ARG 15 N 0.28 0.00 -0.05 1.90 2.47 -0.47 0.08 114.38 118.59 3knh h ARG 15 Ca 0.18 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 3knh h ARG 15 Cb 0.36 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3knh h ARG 15 CO -0.04 0.01 -0.36 1.25 0.56 0.00 0.00 179.97 181.39 3knh h HIS 16 N 0.00 0.47 0.00 3.04 2.76 -0.62 -2.70 115.15 118.10 3knh h HIS 16 Ca -0.00 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 3knh h HIS 16 Cb 0.02 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.91 3knh h HIS 16 CO 0.00 0.97 0.00 0.54 -1.30 0.00 0.00 177.93 178.14 3knh n ARG 17 N -4.39 0.00 -0.41 5.26 1.74 -0.05 -0.52 116.66 118.28 3knh n ARG 17 Ca -0.09 0.80 0.34 0.00 -0.77 0.00 0.00 57.85 58.13 3knh n ARG 17 Cb 0.53 -1.48 0.63 0.00 -1.02 0.00 0.00 32.46 31.12 3knh n ARG 17 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3knh h GLN 18 N 0.00 0.15 -0.35 5.56 4.20 -1.48 -0.13 115.11 123.06 3knh h GLN 18 Ca 0.00 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3knh h GLN 18 Cb 0.00 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 3knh h GLN 18 CO 0.00 0.10 -0.12 1.03 -0.67 0.00 0.00 178.83 179.17 3knh h SER 19 N 0.16 -0.43 0.57 1.46 0.87 -0.45 0.11 113.55 115.84 3knh h SER 19 Ca 0.74 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 61.39 3knh h SER 19 Cb 2.32 0.26 0.01 0.00 -0.44 0.00 0.00 62.40 64.54 3knh h SER 19 CO -0.31 -0.15 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.49 3knh h LEU 20 N -0.05 -0.65 -0.61 2.23 3.38 -0.68 1.14 115.31 120.07 3knh h LEU 20 Ca 0.17 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3knh h LEU 20 Cb 0.31 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3knh h LEU 20 CO -0.39 -0.35 -0.42 0.11 0.09 0.00 0.00 178.44 177.48 3knh h LYS 21 N -0.94 -0.20 0.46 1.13 1.57 -1.48 0.70 116.57 117.82 3knh h LYS 21 Ca -0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3knh h LYS 21 Cb 0.64 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3knh h LYS 21 CO 0.13 -0.13 -0.44 0.00 -0.57 0.00 0.00 179.45 178.44 3knh h ARG 22 N -0.20 -0.87 -0.73 3.15 3.08 -0.71 -1.08 114.38 117.01 3knh h ARG 22 Ca 0.19 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.38 3knh h ARG 22 Cb 0.56 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.71 3knh h ARG 22 CO -0.71 -0.58 -0.38 -2.13 -1.07 0.00 0.00 179.97 175.10 3knh n ARG 23 N -5.12 -0.27 0.13 0.04 0.63 0.39 -0.31 116.66 112.15 3knh n ARG 23 Ca -0.11 1.11 -0.08 0.00 -0.92 0.00 0.00 57.85 57.85 3knh n ARG 23 Cb 0.41 -1.64 -0.05 0.00 0.45 0.00 0.00 32.46 31.63 3knh n ARG 23 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3knh h LEU 24 N 0.00 -0.64 -0.45 6.15 7.12 0.61 -2.11 115.31 125.99 3knh h LEU 24 Ca 0.16 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.38 3knh h LEU 24 Cb 0.35 0.21 -0.08 0.00 -0.53 0.00 0.00 40.66 40.61 3knh h LEU 24 CO -0.70 -0.30 0.12 -1.14 -0.13 0.00 0.00 178.44 176.28 3knh n ARG 25 N -3.75 -0.03 0.03 1.25 0.63 0.57 0.22 116.66 115.57 3knh n ARG 25 Ca -0.05 0.65 0.11 0.00 -0.92 0.00 0.00 57.85 57.64 3knh n ARG 25 Cb 0.21 -1.10 -0.01 0.00 0.45 0.00 0.00 32.46 32.01 3knh n ARG 25 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3knh n ASN 26 N -4.28 0.57 0.20 6.15 2.04 -0.94 -3.44 115.26 115.58 3knh n ASN 26 Ca 0.14 -0.15 0.06 0.00 -0.44 0.00 0.00 54.58 54.18 3knh n ASN 26 Cb 0.45 0.92 0.43 0.00 -2.53 0.00 0.00 39.78 39.06 3knh n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3knh h LYS 27 N 0.00 0.00 0.00 -3.83 3.11 0.33 -2.07 116.57 114.11 3knh h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3knh h LYS 27 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 3knh h LYS 27 CO 0.00 0.32 0.00 0.00 -2.81 0.00 0.00 179.45 176.96 3knh n ALA 28 N -2.38 0.00 0.31 5.00 0.00 -0.31 -2.00 120.51 121.14 3knh n ALA 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3knh n ALA 28 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3knh n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knh n LYS 29 N 0.00 0.03 0.00 0.00 2.85 -1.24 -1.39 118.16 118.42 3knh n LYS 29 Ca 0.00 0.90 0.00 0.00 -1.05 0.00 0.00 58.31 58.16 3knh n LYS 29 Cb 0.00 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 31.93 3knh n LYS 29 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3knh n LYS 30 N -2.39 0.00 0.32 -1.58 0.00 -0.78 -0.36 118.16 113.37 3knh n LYS 30 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 58.31 58.70 3knh n LYS 30 Cb 0.95 -1.15 0.80 0.00 0.00 0.00 0.00 35.03 35.63 3knh n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3knh h SER 31 N 0.00 0.00 0.57 3.14 4.64 -0.59 -0.21 113.55 121.10 3knh h SER 31 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3knh h SER 31 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3knh h SER 31 CO 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.69 3knh h ALA 32 N 1.35 -0.96 -0.92 5.18 0.00 -1.11 -1.32 119.26 121.49 3knh h ALA 32 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.88 3knh h ALA 32 Cb 0.63 0.30 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 3knh h ALA 32 CO 0.00 -0.90 -0.42 0.82 0.00 0.00 0.00 179.25 178.75 3knh h ILE 33 N -0.95 0.03 -0.65 0.00 1.08 0.11 -1.63 117.51 115.49 3knh h ILE 33 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 3knh h ILE 33 Cb 0.59 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 3knh h ILE 33 CO 0.13 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 177.19 3knh h LYS 34 N -0.04 -0.15 0.18 2.37 1.57 -1.26 0.25 116.57 119.49 3knh h LYS 34 Ca 0.29 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3knh h LYS 34 Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3knh h LYS 34 CO -0.92 -0.10 -0.38 1.79 -0.57 0.00 0.00 179.45 179.26 3knh h THR 35 N -0.16 0.00 -0.22 -0.16 1.35 -0.27 -0.55 112.91 112.89 3knh h THR 35 Ca 0.11 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.02 3knh h THR 35 Cb 0.44 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.79 3knh h THR 35 CO -0.70 0.00 -0.42 -0.07 -0.25 0.00 0.00 175.52 174.08 3knh h LEU 36 N -0.62 -1.35 -0.79 3.87 -0.00 -1.11 1.30 115.31 116.61 3knh h LEU 36 Ca -0.02 0.19 0.19 0.00 -0.00 0.00 0.00 57.88 58.24 3knh h LEU 36 Cb 0.59 0.56 -0.14 0.00 -0.00 0.00 0.00 40.66 41.67 3knh h LEU 36 CO -0.16 -0.41 0.05 0.28 -0.00 0.00 0.00 178.44 178.21 3knh h SER 37 N -0.44 -0.28 0.72 -0.43 0.02 -0.40 -0.48 113.55 112.27 3knh h SER 37 Ca 0.09 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3knh h SER 37 Cb 0.61 0.33 0.01 0.00 0.14 0.00 0.00 62.40 63.49 3knh h SER 37 CO -0.45 -0.18 -0.35 0.11 -1.14 0.00 0.00 176.83 174.82 3knh h LYS 38 N 0.12 -0.94 -1.73 3.45 1.57 0.82 -2.55 116.57 117.32 3knh h LYS 38 Ca 0.45 0.06 0.51 0.00 -1.87 0.00 0.00 60.65 59.80 3knh h LYS 38 Cb 0.82 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.26 3knh h LYS 38 CO -0.67 -0.60 1.23 -0.22 -0.57 0.00 0.00 179.45 178.61 3knh h LYS 39 N -1.19 0.01 0.00 3.15 3.64 0.24 -1.13 116.57 121.29 3knh h LYS 39 Ca -0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3knh h LYS 39 Cb 0.77 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3knh h LYS 39 CO 0.16 0.01 -0.08 0.00 -2.27 0.00 0.00 179.45 177.27 3knh h ALA 40 N 1.17 0.01 -0.81 5.00 0.00 -0.94 -3.34 119.26 120.35 3knh h ALA 40 Ca 0.85 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.70 3knh h ALA 40 Cb 3.31 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 21.02 3knh h ALA 40 CO -0.06 0.05 0.16 -0.84 0.00 0.00 0.00 179.25 178.56 3knh h ILE 41 N -1.00 0.38 0.00 0.00 3.07 -0.79 -1.37 117.51 117.79 3knh h ILE 41 Ca -0.01 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3knh h ILE 41 Cb 0.44 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.15 3knh h ILE 41 CO -0.01 0.04 0.00 1.67 -1.05 0.00 0.00 178.15 178.80 3knh n GLN 42 N -5.24 0.00 -0.33 0.16 -0.06 -0.98 -0.70 117.38 110.24 3knh n GLN 42 Ca 0.17 0.53 0.19 0.00 -2.00 0.00 0.00 57.00 55.89 3knh n GLN 42 Cb 0.56 -1.11 0.36 0.00 -4.06 0.00 0.00 30.24 25.99 3knh n GLN 42 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3knh h LEU 43 N 0.00 -0.19 -0.45 1.69 3.38 -1.58 1.00 115.31 119.16 3knh h LEU 43 Ca 0.00 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.32 3knh h LEU 43 Cb 0.00 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3knh h LEU 43 CO 0.00 -0.34 -0.19 0.00 0.09 0.00 0.00 178.44 178.00 3knh h ALA 44 N 1.95 0.15 -0.24 1.53 0.00 0.00 0.56 119.26 123.21 3knh h ALA 44 Ca 0.65 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 55.56 3knh h ALA 44 Cb 1.46 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3knh h ALA 44 CO -0.84 -0.54 -0.51 0.37 0.00 0.00 0.00 179.25 177.73 3knh h GLN 45 N -0.10 0.69 0.00 0.00 -0.00 0.30 -2.53 115.11 113.47 3knh h GLN 45 Ca 0.21 -0.41 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 3knh h GLN 45 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.95 3knh h GLN 45 CO -0.51 1.03 0.00 -1.91 0.00 0.00 0.00 178.83 177.44 3knh n GLU 46 N -3.99 0.01 -2.16 1.69 2.13 0.21 -4.83 120.64 113.71 3knh n GLU 46 Ca -0.03 0.38 -0.01 0.00 0.66 0.00 0.00 57.16 58.16 3knh n GLU 46 Cb 0.59 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3knh n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knh n GLY 47 N -1.15 0.50 0.00 8.31 0.00 0.16 -4.99 105.19 108.02 3knh n GLY 47 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3knh n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knh n LYS 48 N -0.95 0.00 0.00 1.61 4.76 -0.69 -4.95 118.16 117.94 3knh n LYS 48 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3knh n LYS 48 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3knh n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knh n ALA 49 N -3.00 0.00 0.02 7.82 0.00 -1.26 -4.94 120.51 119.15 3knh n ALA 49 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3knh n ALA 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3knh n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3knh h GLU 50 N 0.00 -0.07 0.00 0.00 4.11 -1.96 -1.97 114.58 114.69 3knh h GLU 50 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3knh h GLU 50 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3knh h GLU 50 CO 0.00 -0.05 0.00 -0.85 0.07 0.00 0.00 179.01 178.18 3knh n GLU 51 N -5.18 0.88 -0.08 1.06 0.28 -1.26 -0.32 120.64 116.02 3knh n GLU 51 Ca -0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.87 3knh n GLU 51 Cb 0.11 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 3knh n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3knh h ALA 52 N 3.44 0.05 -0.02 -1.84 0.00 -1.74 -3.30 119.26 115.85 3knh h ALA 52 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 3knh h ALA 52 Cb 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3knh h ALA 52 CO 0.00 0.54 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 3knh h LEU 53 N -1.00 0.04 0.34 0.00 3.38 -1.31 -0.17 115.31 116.58 3knh h LEU 53 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3knh h LEU 53 Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3knh h LEU 53 CO -0.04 0.34 -0.16 0.50 0.09 0.00 0.00 178.44 179.17 3knh h LYS 54 N 0.04 -0.44 -0.50 1.13 3.64 -0.85 1.15 116.57 120.74 3knh h LYS 54 Ca 0.00 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3knh h LYS 54 Cb 0.55 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3knh h LYS 54 CO 0.04 -0.22 0.10 0.82 -2.27 0.00 0.00 179.45 177.92 3knh h ILE 55 N -0.58 1.25 -0.93 2.00 1.08 -1.61 -1.84 117.51 116.89 3knh h ILE 55 Ca -0.05 -0.90 0.12 0.00 -0.39 0.00 0.00 64.86 63.65 3knh h ILE 55 Cb 0.42 0.86 -0.08 0.00 -3.07 0.00 0.00 36.82 34.95 3knh h ILE 55 CO 0.08 0.32 0.55 -0.03 -0.69 0.00 0.00 178.15 178.38 3knh h MET 56 N 0.70 0.84 0.87 2.37 4.05 -0.81 -2.04 114.93 120.92 3knh h MET 56 Ca 0.15 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3knh h MET 56 Cb 0.37 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3knh h MET 56 CO 0.01 0.56 -0.42 -0.09 0.23 0.00 0.00 176.91 177.19 3knh h ARG 57 N 0.87 -1.13 -0.67 0.39 2.43 0.21 -2.82 114.38 113.65 3knh h ARG 57 Ca 0.47 0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.85 3knh h ARG 57 Cb 0.49 0.26 -0.13 0.00 -0.42 0.00 0.00 29.97 30.17 3knh h ARG 57 CO -0.28 -0.75 -0.16 1.17 -1.51 0.00 0.00 179.97 178.44 3knh n LYS 58 N -5.59 -0.06 0.10 0.20 3.00 -0.76 -0.53 118.16 114.51 3knh n LYS 58 Ca -0.15 1.05 -0.15 0.00 -0.00 0.00 0.00 58.31 59.05 3knh n LYS 58 Cb 0.47 -1.57 -0.08 0.00 0.00 0.00 0.00 35.03 33.84 3knh n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knh h ALA 59 N 1.35 -0.83 -1.55 3.14 0.00 -1.26 -0.39 119.26 119.72 3knh h ALA 59 Ca 0.33 -0.08 0.45 0.00 0.00 0.00 0.00 54.91 55.60 3knh h ALA 59 Cb 0.51 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3knh h ALA 59 CO -0.69 -1.04 1.21 1.49 0.00 0.00 0.00 179.25 180.22 3knh h GLU 60 N -0.68 0.00 0.01 0.00 4.81 -0.78 0.34 114.58 118.28 3knh h GLU 60 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3knh h GLU 60 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3knh h GLU 60 CO -0.29 0.00 -0.00 1.03 -0.73 0.00 0.00 179.01 179.02 3knh h SER 61 N 0.00 -0.01 -0.96 1.04 0.87 -1.07 -2.97 113.55 110.45 3knh h SER 61 Ca 0.73 0.00 0.31 0.00 -1.23 0.00 0.00 61.79 61.60 3knh h SER 61 Cb 3.15 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 64.95 3knh h SER 61 CO -0.01 0.15 0.27 -0.07 -0.53 0.00 0.00 176.83 176.64 3knh h LEU 62 N -0.31 -0.04 0.00 2.23 3.38 -0.11 2.02 115.31 122.49 3knh h LEU 62 Ca -0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3knh h LEU 62 Cb 0.01 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3knh h LEU 62 CO 0.00 -0.30 0.00 -0.38 0.09 0.00 0.00 178.44 177.85 3knh n ILE 63 N -5.31 0.00 -0.51 1.22 5.41 0.96 -2.08 119.36 119.05 3knh n ILE 63 Ca 0.27 0.68 0.39 0.00 1.00 0.00 0.00 62.75 65.09 3knh n ILE 63 Cb 0.90 -1.65 0.60 0.00 -0.71 0.00 0.00 39.64 38.78 3knh n ILE 63 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3knh n ASP 64 N -0.19 0.02 0.00 4.38 9.92 -0.84 -1.31 116.55 128.52 3knh n ASP 64 Ca 0.00 0.76 0.00 0.00 -0.53 0.00 0.00 54.79 55.02 3knh n ASP 64 Cb 0.00 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3knh n ASP 64 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3knh n LYS 65 N -3.49 0.00 -0.34 -1.24 0.00 0.68 -3.13 118.16 110.63 3knh n LYS 65 Ca 0.33 0.20 0.24 0.00 0.00 0.00 0.00 58.31 59.08 3knh n LYS 65 Cb 1.46 -1.11 0.48 0.00 0.00 0.00 0.00 35.03 35.86 3knh n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knh h ALA 66 N -1.96 2.01 -1.00 3.14 0.00 -0.62 -2.69 119.26 118.15 3knh h ALA 66 Ca 0.00 0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.43 3knh h ALA 66 Cb 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 17.75 3knh h ALA 66 CO 0.00 -0.59 0.54 0.00 0.00 0.00 0.00 179.25 179.20 3knh h ALA 67 N 1.79 2.02 0.00 0.00 0.00 -1.37 0.98 119.26 122.68 3knh h ALA 67 Ca 0.72 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.86 3knh h ALA 67 Cb 1.66 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3knh h ALA 67 CO -0.55 -0.74 0.00 0.87 0.00 0.00 0.00 179.25 178.84 3knh h LYS 68 N 0.18 0.00 -6.96 0.00 1.57 -1.56 -3.43 116.57 106.37 3knh h LYS 68 Ca 0.78 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 59.07 3knh h LYS 68 Cb 1.90 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.28 3knh h LYS 68 CO -0.68 0.00 0.05 0.20 -0.57 0.00 0.00 179.45 178.44 3knh s GLY 69 N -3.78 1.73 0.00 3.86 0.00 0.34 -4.98 107.32 104.47 3knh s GLY 69 Ca 0.01 -2.01 0.17 0.00 0.00 0.00 0.00 44.72 42.89 3knh s GLY 69 CO 0.39 -1.43 1.55 1.44 0.00 0.00 0.00 173.10 175.05 3knh n SER 70 N -2.68 0.00 -2.95 1.64 7.64 -1.26 -4.75 113.62 111.27 3knh n SER 70 Ca 0.17 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.43 3knh n SER 70 Cb 0.61 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 3knh n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3knh n THR 71 N -1.44 0.00 -1.62 0.44 -1.04 -1.26 -4.74 114.28 104.62 3knh n THR 71 Ca 0.05 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.54 3knh n THR 71 Cb 0.19 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 3knh n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3knh n LEU 72 N 0.00 1.89 0.00 -4.42 0.00 -1.26 -4.85 117.00 108.35 3knh n LEU 72 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 56.01 57.12 3knh n LEU 72 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 43.42 42.22 3knh n LEU 72 CO 0.00 -0.88 0.00 1.57 0.00 0.00 0.00 177.39 178.08 3knh n HIS 73 N 3.15 0.00 0.00 1.96 -0.00 -1.26 -2.80 115.22 116.27 3knh n HIS 73 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 3knh n HIS 73 Cb 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 3knh n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3knh n LYS 74 N 0.00 0.00 0.00 1.57 4.76 -1.26 -0.52 118.16 122.71 3knh n LYS 74 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 3knh n LYS 74 Cb 0.00 0.00 0.70 0.00 -1.84 0.00 0.00 35.03 33.89 3knh n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3knh n ASN 75 N -0.57 0.00 -0.22 4.39 3.02 -1.26 -3.24 115.26 117.38 3knh n ASN 75 Ca 0.00 -0.10 0.01 0.00 -0.03 0.00 0.00 54.58 54.46 3knh n ASN 75 Cb 0.00 -0.29 0.10 0.00 -0.61 0.00 0.00 39.78 38.98 3knh n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knh h ALA 76 N 3.31 0.56 -0.52 5.41 0.00 -1.80 0.69 119.26 126.90 3knh h ALA 76 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3knh h ALA 76 Cb 0.27 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3knh h ALA 76 CO 0.00 -0.42 0.21 0.00 0.00 0.00 0.00 179.25 179.05 3knh h ALA 77 N 1.64 0.68 0.00 0.00 0.00 -0.78 -1.07 119.26 119.73 3knh h ALA 77 Ca 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3knh h ALA 77 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3knh h ALA 77 CO -0.63 0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3knh n ALA 78 N -2.34 1.60 -0.08 0.00 0.00 0.23 -2.38 120.51 117.54 3knh n ALA 78 Ca 0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 3knh n ALA 78 Cb 0.15 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 3knh n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knh n ARG 79 N -0.61 0.35 -0.26 0.00 0.63 -0.41 -4.00 116.66 112.36 3knh n ARG 79 Ca 0.00 0.13 0.03 0.00 -0.92 0.00 0.00 57.85 57.09 3knh n ARG 79 Cb 0.00 -1.15 0.16 0.00 0.45 0.00 0.00 32.46 31.92 3knh n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh h ARG 80 N -0.37 0.62 0.11 -0.14 2.47 -1.48 0.43 114.38 116.03 3knh h ARG 80 Ca -0.38 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 3knh h ARG 80 Cb 1.41 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 3knh h ARG 80 CO -0.18 0.41 -0.22 0.87 0.56 0.00 0.00 179.97 181.42 3knh h LYS 81 N 0.64 -0.34 -0.98 0.04 1.57 -1.78 2.38 116.57 118.10 3knh h LYS 81 Ca 0.38 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.37 3knh h LYS 81 Cb 0.42 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 3knh h LYS 81 CO -0.28 -0.23 0.61 0.66 -0.57 0.00 0.00 179.45 179.65 3knh h SER 82 N -0.35 0.71 1.07 0.86 4.64 -1.59 0.74 113.55 119.63 3knh h SER 82 Ca -0.01 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 3knh h SER 82 Cb 0.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3knh h SER 82 CO -0.09 0.27 -0.61 0.03 -0.87 0.00 0.00 176.83 175.56 3knh h ARG 83 N 0.70 0.00 0.00 4.77 3.08 -0.42 -3.13 114.38 119.38 3knh h ARG 83 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.60 3knh h ARG 83 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3knh h ARG 83 CO -0.32 0.61 0.00 -0.11 -1.07 0.00 0.00 179.97 179.08 3knh n LEU 84 N -3.42 0.93 -0.15 3.04 -0.00 0.80 -3.53 117.00 114.66 3knh n LEU 84 Ca 0.00 0.18 -0.08 0.00 -0.00 0.00 0.00 56.01 56.12 3knh n LEU 84 Cb 0.71 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.14 3knh n LEU 84 CO 0.41 0.00 1.06 0.00 -0.00 0.00 0.00 177.39 178.86 3knh h MET 85 N 0.00 0.60 -1.34 1.96 -0.00 -1.44 -1.87 114.93 112.85 3knh h MET 85 Ca 0.00 -0.04 0.39 0.00 -0.00 0.00 0.00 59.70 60.05 3knh h MET 85 Cb 0.00 -0.13 -0.06 0.00 -0.00 0.00 0.00 31.60 31.40 3knh h MET 85 CO 0.00 0.41 0.95 -0.09 -0.00 0.00 0.00 176.91 178.18 3knh h ARG 86 N 0.61 0.04 0.08 -0.10 2.43 -1.71 0.80 114.38 116.53 3knh h ARG 86 Ca 0.17 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3knh h ARG 86 Cb -0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3knh h ARG 86 CO -0.03 0.03 -0.72 -0.22 -1.51 0.00 0.00 179.97 177.51 3knh h LYS 87 N 0.04 0.16 -0.53 0.20 1.63 -1.43 -3.21 116.57 113.44 3knh h LYS 87 Ca 0.66 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 60.26 3knh h LYS 87 Cb 2.51 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 34.15 3knh h LYS 87 CO -0.06 1.13 -0.49 0.28 -3.45 0.00 0.00 179.45 176.86 3knh h VAL 88 N -0.63 0.05 -0.97 2.00 2.07 0.13 -1.81 116.25 117.10 3knh h VAL 88 Ca -0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3knh h VAL 88 Cb 1.43 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3knh h VAL 88 CO 0.05 0.00 0.61 -0.09 0.02 0.00 0.00 177.57 178.16 3knh h ARG 89 N -0.29 1.04 -0.95 1.57 2.43 -1.12 0.45 114.38 117.52 3knh h ARG 89 Ca 0.14 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3knh h ARG 89 Cb 0.57 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3knh h ARG 89 CO -0.66 0.69 0.06 1.04 -1.51 0.00 0.00 179.97 179.59 3knh n GLN 90 N -4.57 1.54 0.00 0.20 6.02 -0.72 -1.98 117.38 117.87 3knh n GLN 90 Ca 0.15 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 3knh n GLN 90 Cb 0.22 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3knh n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3knh n LEU 91 N 0.15 0.00 -0.49 1.08 4.77 0.56 -4.75 117.00 118.32 3knh n LEU 91 Ca 0.08 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3knh n LEU 91 Cb 0.57 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.83 3knh n LEU 91 CO 0.09 0.00 0.62 0.18 -1.33 0.00 0.00 177.39 176.95 3knh n LEU 92 N 0.00 2.99 -0.60 2.23 4.77 0.13 -3.82 117.00 122.70 3knh n LEU 92 Ca 0.00 -2.66 0.07 0.00 -0.03 0.00 0.00 56.01 53.39 3knh n LEU 92 Cb 0.00 -0.36 0.18 0.00 -2.33 0.00 0.00 43.42 40.91 3knh n LEU 92 CO 0.00 0.67 0.64 -1.84 -1.33 0.00 0.00 177.39 175.53 3knh n GLU 93 N -0.52 2.69 -2.18 3.23 0.00 -0.84 -1.84 120.64 121.18 3knh n GLU 93 Ca 0.14 -2.41 -0.39 0.00 0.00 0.00 0.00 57.16 54.51 3knh n GLU 93 Cb 0.63 -1.52 0.02 0.00 0.00 0.00 0.00 31.44 30.56 3knh n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3knh n ALA 94 N -0.32 6.37 -2.44 -1.84 0.00 -1.26 -4.70 120.51 116.33 3knh n ALA 94 Ca 0.15 -4.21 -0.06 0.00 0.00 0.00 0.00 53.44 49.32 3knh n ALA 94 Cb 0.64 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.95 3knh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh n ALA 95 N 0.00 -0.76 0.01 0.00 0.00 -1.26 -4.89 120.51 113.60 3knh n ALA 95 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3knh n ALA 95 Cb 0.27 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3knh n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knh n GLY 96 N -1.10 -0.02 2.11 0.00 0.00 -1.24 -5.06 105.19 99.87 3knh n GLY 96 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3knh n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh n ALA 97 N -2.59 -1.84 -0.54 4.61 0.00 -0.77 -4.35 120.51 115.03 3knh n ALA 97 Ca 0.00 0.42 -0.27 0.00 0.00 0.00 0.00 53.44 53.59 3knh n ALA 97 Cb 0.01 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 3knh n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3knh n PRO 98 N 1.91 0.00 0.00 0.00 -0.04 -1.26 -4.59 135.00 131.02 3knh n PRO 98 Ca 0.00 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 3knh n PRO 98 Cb 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3knh n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3knh n LEU 99 N 7.01 0.00 -3.83 1.53 4.77 -1.26 -3.39 117.00 121.82 3knh n LEU 99 Ca 0.29 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 3knh n LEU 99 Cb 0.31 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3knh n LEU 99 CO 0.85 0.00 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.90 3knh s ILE 100 N -1.80 1.08 -1.10 -0.08 1.09 -1.26 -5.03 121.20 114.10 3knh s ILE 100 Ca 0.00 -1.07 -0.24 0.00 -1.10 0.00 0.00 60.65 58.24 3knh s ILE 100 Cb 0.00 -1.54 -0.10 0.00 -1.06 0.00 0.00 42.46 39.75 3knh s ILE 100 CO 0.00 -0.27 1.98 -0.83 -0.10 0.00 0.00 174.94 175.73 3knh s GLY 101 N 1.58 -0.08 0.00 6.18 0.00 -1.22 -4.81 107.32 108.97 3knh s GLY 101 Ca -0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.83 3knh s GLY 101 CO -0.10 3.69 0.00 0.61 0.00 0.00 0.00 173.10 177.30 3knh n GLY 102 N 6.08 1.58 0.37 0.20 0.00 -1.26 -4.92 105.19 107.24 3knh n GLY 102 Ca 0.44 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 3knh n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 103 N 5.00 -1.94 3.79 -0.02 0.00 -1.26 -4.49 105.19 106.26 3knh n GLY 103 Ca 0.00 1.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.76 3knh n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knh s LEU 104 N -10.87 3.45 -0.21 0.99 0.20 -1.26 -5.02 118.68 105.95 3knh s LEU 104 Ca -0.13 1.90 -0.15 0.00 0.69 0.00 0.00 54.13 56.43 3knh s LEU 104 Cb 0.20 -4.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.38 3knh s LEU 104 CO 0.70 -1.38 0.38 -0.94 -0.29 0.00 0.00 176.35 174.82 3knh s SER 105 N -2.70 6.40 0.00 3.68 1.04 -1.26 -4.89 113.70 115.97 3knh s SER 105 Ca 0.65 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.55 3knh s SER 105 Cb -0.18 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3knh s SER 105 CO 0.39 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.53