#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ARG 3 N 0.00 4.55 0.05 0.00 0.52 -1.25 -3.51 118.95 119.31 3knh s ARG 3 Ca 0.00 1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 56.38 3knh s ARG 3 Cb 0.00 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 32.05 3knh s ARG 3 CO 0.00 0.06 0.23 0.42 0.02 0.00 0.00 175.30 176.02 3knh s ILE 4 N 0.67 0.11 -0.29 1.52 1.01 0.23 -4.93 121.20 119.53 3knh s ILE 4 Ca 0.47 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3knh s ILE 4 Cb -0.21 -0.99 0.04 0.00 0.01 0.00 0.00 42.46 41.31 3knh s ILE 4 CO 0.26 -0.48 0.43 0.00 0.00 0.00 0.00 174.94 175.14 3knh n ALA 5 N 0.52 -1.82 0.00 9.38 0.00 -1.26 -1.55 120.51 125.78 3knh n ALA 5 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3knh n ALA 5 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3knh n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knh n GLY 6 N -0.11 1.96 0.00 0.00 0.00 -1.26 -4.25 105.19 101.54 3knh n GLY 6 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3knh n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 7 N 0.00 0.00 0.00 1.61 0.31 -0.99 -5.14 118.33 114.11 3knh n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knh n VAL 7 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knh n VAL 7 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knh n GLU 8 N -0.94 0.00 -3.78 5.55 1.02 -0.60 -2.73 120.64 119.16 3knh n GLU 8 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 3knh n GLU 8 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 3knh n GLU 8 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3knh s ILE 9 N 0.00 2.28 0.63 -3.67 1.09 -1.26 0.78 121.20 121.06 3knh s ILE 9 Ca 0.00 -3.86 -0.14 0.00 -1.10 0.00 0.00 60.65 55.54 3knh s ILE 9 Cb 0.00 -2.51 -0.02 0.00 -1.06 0.00 0.00 42.46 38.87 3knh s ILE 9 CO 0.00 -1.05 1.07 -2.16 -0.10 0.00 0.00 174.94 172.69 3knh s PRO 10 N -1.06 3.13 0.00 2.79 0.04 -1.23 -4.95 135.00 133.73 3knh s PRO 10 Ca 0.26 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3knh s PRO 10 Cb -0.03 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3knh s PRO 10 CO -0.17 -0.96 0.00 0.54 0.04 0.00 0.00 177.00 176.45 3knh n ARG 11 N -2.35 0.00 0.00 4.56 1.74 -1.26 -4.66 116.66 114.69 3knh n ARG 11 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3knh n ARG 11 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3knh n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3knh n ASN 12 N -0.71 0.00 -0.32 0.55 3.02 -1.26 -4.61 115.26 111.93 3knh n ASN 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3knh n ASN 12 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3knh n ASN 12 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3knh n LYS 13 N 0.00 0.00 -2.65 3.52 4.81 -1.26 -4.92 118.16 117.66 3knh n LYS 13 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3knh n LYS 13 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3knh n LYS 13 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3knh s ARG 14 N 0.04 3.33 0.02 1.64 1.81 -1.26 -2.38 118.95 122.15 3knh s ARG 14 Ca 0.00 -0.78 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 3knh s ARG 14 Cb 0.00 -4.61 0.02 0.00 -0.45 0.00 0.00 34.95 29.91 3knh s ARG 14 CO 0.00 -2.06 0.10 1.33 -0.68 0.00 0.00 175.30 173.99 3knh n VAL 15 N 6.34 -0.03 0.44 3.52 0.24 -1.26 0.99 118.33 128.57 3knh n VAL 15 Ca 0.13 0.15 0.03 0.00 -2.04 0.00 0.00 64.34 62.61 3knh n VAL 15 Cb 0.49 -0.20 0.18 0.00 -1.47 0.00 0.00 33.84 32.83 3knh n VAL 15 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3knh n ASP 16 N -4.10 0.00 -0.00 -1.34 3.85 -1.25 0.36 116.55 114.07 3knh n ASP 16 Ca 0.01 -0.26 0.02 0.00 -0.71 0.00 0.00 54.79 53.85 3knh n ASP 16 Cb 0.03 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.77 3knh n ASP 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3knh n VAL 17 N -0.92 0.00 -0.02 2.12 0.31 0.28 -4.10 118.33 116.00 3knh n VAL 17 Ca 0.04 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 64.11 3knh n VAL 17 Cb 0.02 0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 33.31 3knh n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh h ALA 18 N 0.33 0.04 -0.41 3.52 0.00 -0.05 -2.59 119.26 120.10 3knh h ALA 18 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3knh h ALA 18 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3knh h ALA 18 CO 0.00 0.11 0.27 -0.07 0.00 0.00 0.00 179.25 179.56 3knh h LEU 19 N -0.44 0.38 -0.49 0.00 -0.00 -1.17 -1.39 115.31 112.20 3knh h LEU 19 Ca -0.03 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.94 3knh h LEU 19 Cb 1.03 -0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.50 3knh h LEU 19 CO 0.06 0.27 -0.16 0.74 -0.00 0.00 0.00 178.44 179.34 3knh h THR 20 N 0.45 0.43 0.00 0.22 2.02 -1.62 -2.05 112.91 112.37 3knh h THR 20 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 3knh h THR 20 Cb 0.10 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3knh h THR 20 CO -0.04 0.00 0.01 -1.22 0.37 0.00 0.00 175.52 174.64 3knh n TYR 21 N -5.38 0.00 -4.67 3.16 4.02 -0.52 -4.58 117.16 109.18 3knh n TYR 21 Ca 0.04 -0.16 -0.25 0.00 -0.01 0.00 0.00 57.90 57.52 3knh n TYR 21 Cb 0.29 -0.30 -0.16 0.00 -0.02 0.00 0.00 39.34 39.15 3knh n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3knh s ILE 22 N 1.71 1.23 -0.16 -0.72 1.01 -0.77 -4.99 121.20 118.52 3knh s ILE 22 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 3knh s ILE 22 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 3knh s ILE 22 CO 0.00 0.37 1.26 -0.47 0.00 0.00 0.00 174.94 176.11 3knh s TYR 23 N 0.42 2.85 0.00 3.97 6.14 -1.26 -0.80 117.35 128.67 3knh s TYR 23 Ca -0.11 1.01 0.00 0.00 0.64 0.00 0.00 57.07 58.61 3knh s TYR 23 Cb -0.14 -3.51 0.00 0.00 0.42 0.00 0.00 41.96 38.73 3knh s TYR 23 CO 0.03 -1.71 0.00 0.41 0.64 0.00 0.00 175.55 174.92 3knh n GLY 24 N 3.61 0.58 2.91 8.97 0.00 -1.26 -2.17 105.19 117.83 3knh n GLY 24 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3knh n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knh s ILE 25 N -2.00 0.87 0.00 -0.61 1.09 0.02 -4.93 121.20 115.64 3knh s ILE 25 Ca 0.00 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 3knh s ILE 25 Cb 0.00 -0.89 0.00 0.00 -1.06 0.00 0.00 42.46 40.51 3knh s ILE 25 CO 0.00 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 3knh n GLY 26 N 4.60 4.07 0.10 6.18 0.00 -1.26 -4.17 105.19 114.71 3knh n GLY 26 Ca -0.16 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 3knh n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3knh h LYS 27 N 0.00 0.08 0.35 1.61 1.63 -1.94 -3.21 116.57 115.09 3knh h LYS 27 Ca 0.00 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 3knh h LYS 27 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3knh h LYS 27 CO 0.00 1.06 -0.17 0.00 -3.45 0.00 0.00 179.45 176.90 3knh h ALA 28 N -0.19 -0.97 -1.00 5.00 0.00 -1.97 0.16 119.26 120.30 3knh h ALA 28 Ca -0.21 -0.10 0.37 0.00 0.00 0.00 0.00 54.91 54.96 3knh h ALA 28 Cb 1.34 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.15 3knh h ALA 28 CO -0.05 -0.93 0.54 0.00 0.00 0.00 0.00 179.25 178.80 3knh h ARG 29 N -0.54 0.15 0.00 0.00 3.08 -1.96 2.15 114.38 117.27 3knh h ARG 29 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3knh h ARG 29 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3knh h ARG 29 CO 0.08 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 3knh n ALA 30 N -2.29 -0.27 0.06 0.04 0.00 -1.14 -1.91 120.51 115.00 3knh n ALA 30 Ca 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.65 3knh n ALA 30 Cb 1.13 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.50 3knh n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knh h LYS 31 N 0.00 -0.57 -0.98 0.00 1.57 0.80 0.50 116.57 117.89 3knh h LYS 31 Ca 0.00 0.04 0.38 0.00 -1.87 0.00 0.00 60.65 59.20 3knh h LYS 31 Cb 0.00 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.30 3knh h LYS 31 CO 0.00 -0.38 0.57 -1.91 -0.57 0.00 0.00 179.45 177.16 3knh n GLU 32 N -5.01 -0.04 0.10 3.15 0.00 0.71 0.17 120.64 119.72 3knh n GLU 32 Ca -0.07 1.15 0.12 0.00 0.00 0.00 0.00 57.16 58.36 3knh n GLU 32 Cb 0.34 -2.13 0.09 0.00 0.00 0.00 0.00 31.44 29.75 3knh n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3knh h ALA 33 N 1.59 0.60 0.00 4.31 0.00 -0.25 -3.34 119.26 122.16 3knh h ALA 33 Ca 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.65 3knh h ALA 33 Cb 2.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 3knh h ALA 33 CO -0.57 0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 178.60 3knh h LEU 34 N 0.00 0.00 -0.54 0.00 3.38 0.33 -2.65 115.31 115.83 3knh h LEU 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3knh h LEU 34 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3knh h LEU 34 CO 0.00 0.01 -0.03 -1.84 0.09 0.00 0.00 178.44 176.67 3knh n GLU 35 N -3.10 1.27 -0.13 1.13 0.28 -1.10 -1.69 120.64 117.29 3knh n GLU 35 Ca 0.03 -0.54 -0.28 0.00 -0.16 0.00 0.00 57.16 56.21 3knh n GLU 35 Cb 0.49 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.77 3knh n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3knh n LYS 36 N -0.40 0.56 0.00 3.44 4.76 -1.02 -4.21 118.16 121.30 3knh n LYS 36 Ca 0.19 0.25 0.13 0.00 -2.87 0.00 0.00 58.31 56.01 3knh n LYS 36 Cb 0.27 -1.45 0.62 0.00 -1.84 0.00 0.00 35.03 32.63 3knh n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3knh n THR 37 N -4.20 0.19 -2.85 -0.18 -2.24 -1.10 -4.94 114.28 98.97 3knh n THR 37 Ca -0.52 0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 3knh n THR 37 Cb 0.87 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 3knh n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knh n GLY 38 N 1.00 -1.61 2.81 3.38 0.00 -0.99 -4.90 105.19 104.88 3knh n GLY 38 Ca 0.10 1.18 -0.15 0.00 0.00 0.00 0.00 46.02 47.15 3knh n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knh s ILE 39 N -2.48 -0.43 -0.76 -0.61 1.01 -0.68 -5.04 121.20 112.19 3knh s ILE 39 Ca 0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.41 3knh s ILE 39 Cb -0.06 -0.74 -0.19 0.00 0.01 0.00 0.00 42.46 41.47 3knh s ILE 39 CO 0.77 -0.18 2.47 -3.20 0.00 0.00 0.00 174.94 174.80 3knh n ASN 40 N 5.34 0.69 0.00 3.58 5.15 -1.26 -4.69 115.26 124.07 3knh n ASN 40 Ca -0.05 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 3knh n ASN 40 Cb 0.50 -0.98 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 3knh n ASN 40 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3knh n PRO 41 N 8.19 0.00 0.00 1.20 -0.02 -1.26 -3.43 135.00 139.68 3knh n PRO 41 Ca 0.59 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3knh n PRO 41 Cb 0.05 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3knh n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knh n ALA 42 N -0.88 0.00 -1.60 3.55 0.00 -1.26 -3.89 120.51 116.43 3knh n ALA 42 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 53.44 52.82 3knh n ALA 42 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 3knh n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knh n THR 43 N -1.32 0.04 -0.95 0.00 -2.24 -1.22 -4.36 114.28 104.22 3knh n THR 43 Ca 0.00 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 3knh n THR 43 Cb 0.00 -0.45 0.12 0.00 -2.10 0.00 0.00 70.33 67.90 3knh n THR 43 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3knh n ARG 44 N 2.77 -0.07 0.26 -0.78 5.12 -1.25 -4.40 116.66 118.31 3knh n ARG 44 Ca 0.23 0.04 0.10 0.00 -1.93 0.00 0.00 57.85 56.29 3knh n ARG 44 Cb 0.08 -2.10 0.68 0.00 -1.16 0.00 0.00 32.46 29.96 3knh n ARG 44 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knh h VAL 45 N -1.20 0.83 0.00 1.55 2.07 -1.73 -2.81 116.25 114.96 3knh h VAL 45 Ca -0.45 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3knh h VAL 45 Cb 1.30 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3knh h VAL 45 CO 0.40 0.09 0.00 2.29 0.02 0.00 0.00 177.57 180.37 3knh n LYS 46 N -4.08 0.29 -3.15 1.57 2.85 -1.26 -4.39 118.16 109.99 3knh n LYS 46 Ca -0.03 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.28 3knh n LYS 46 Cb 0.18 -1.15 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 3knh n LYS 46 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3knh s ASP 47 N -1.80 -1.05 0.00 -5.58 1.47 -1.06 -5.06 116.67 103.59 3knh s ASP 47 Ca 0.04 0.64 0.00 0.00 1.18 0.00 0.00 52.55 54.41 3knh s ASP 47 Cb 0.02 1.87 0.00 0.00 -0.34 0.00 0.00 42.92 44.47 3knh s ASP 47 CO 0.03 -0.20 0.00 0.00 0.68 0.00 0.00 175.17 175.69 3knh n LEU 48 N 5.44 0.00 -0.37 2.11 -0.00 -1.26 -4.73 117.00 118.20 3knh n LEU 48 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.94 3knh n LEU 48 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3knh n LEU 48 CO -0.02 0.00 0.02 0.35 -0.00 0.00 0.00 177.39 177.74 3knh n THR 49 N 0.00 0.08 0.13 1.47 -2.24 -1.26 -4.47 114.28 108.00 3knh n THR 49 Ca 0.00 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3knh n THR 49 Cb 0.00 0.00 0.42 0.00 -2.10 0.00 0.00 70.33 68.65 3knh n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knh n GLU 50 N 0.10 0.10 -0.08 -0.78 -0.58 -1.26 -1.17 120.64 116.97 3knh n GLU 50 Ca 0.02 0.59 -0.15 0.00 -0.42 0.00 0.00 57.16 57.19 3knh n GLU 50 Cb 0.01 -1.82 -0.10 0.00 -0.57 0.00 0.00 31.44 28.96 3knh n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knh h ALA 51 N 2.02 0.10 -0.88 0.62 0.00 -1.98 -1.79 119.26 117.34 3knh h ALA 51 Ca 0.00 -0.72 0.22 0.00 0.00 0.00 0.00 54.91 54.41 3knh h ALA 51 Cb 0.02 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.00 3knh h ALA 51 CO 0.00 0.30 0.35 0.93 0.00 0.00 0.00 179.25 180.83 3knh h GLU 52 N -1.00 0.34 0.95 0.00 5.08 -1.42 0.36 114.58 118.89 3knh h GLU 52 Ca -0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3knh h GLU 52 Cb 0.98 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.16 3knh h GLU 52 CO -0.08 0.22 -0.46 0.28 -1.00 0.00 0.00 179.01 177.97 3knh h VAL 53 N 0.35 0.06 0.01 3.13 2.07 -1.41 -1.08 116.25 119.38 3knh h VAL 53 Ca 0.55 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 3knh h VAL 53 Cb 1.06 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3knh h VAL 53 CO -0.55 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 177.47 3knh h VAL 54 N -1.28 0.00 -0.81 2.57 2.07 -0.01 0.24 116.25 119.03 3knh h VAL 54 Ca -0.13 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.60 3knh h VAL 54 Cb 0.98 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.60 3knh h VAL 54 CO 0.21 0.00 -0.02 -1.14 0.02 0.00 0.00 177.57 176.65 3knh n ARG 55 N -3.28 -0.07 0.14 1.57 0.63 0.10 0.40 116.66 116.15 3knh n ARG 55 Ca -0.02 1.22 -0.06 0.00 -0.92 0.00 0.00 57.85 58.08 3knh n ARG 55 Cb 0.11 -1.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.07 3knh n ARG 55 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3knh h LEU 56 N 0.00 -0.32 -0.84 6.15 7.12 -0.43 0.64 115.31 127.64 3knh h LEU 56 Ca 0.48 0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.64 3knh h LEU 56 Cb 0.95 0.09 -0.14 0.00 -0.53 0.00 0.00 40.66 41.02 3knh h LEU 56 CO -0.77 -0.22 -0.35 -0.09 -0.13 0.00 0.00 178.44 176.88 3knh h ARG 57 N -0.36 -0.06 -0.58 1.25 2.43 0.43 0.47 114.38 117.96 3knh h ARG 57 Ca -0.04 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3knh h ARG 57 Cb 0.28 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.73 3knh h ARG 57 CO 0.05 -0.04 -0.08 1.49 -1.51 0.00 0.00 179.97 179.89 3knh h GLU 58 N -0.06 0.05 0.52 0.20 4.22 0.79 -1.87 114.58 118.42 3knh h GLU 58 Ca 0.31 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.73 3knh h GLU 58 Cb 0.59 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3knh h GLU 58 CO -0.87 0.03 -0.25 -0.92 -2.18 0.00 0.00 179.01 174.83 3knh h TYR 59 N 0.05 -0.64 -0.27 0.92 3.20 0.50 -3.25 116.97 117.47 3knh h TYR 59 Ca 0.29 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3knh h TYR 59 Cb 0.46 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 3knh h TYR 59 CO -0.42 -0.40 -0.50 0.28 -1.64 0.00 0.00 178.16 175.48 3knh h VAL 60 N -0.82 0.00 -0.41 1.81 2.07 -1.00 -0.27 116.25 117.64 3knh h VAL 60 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 3knh h VAL 60 Cb 0.53 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3knh h VAL 60 CO 0.12 0.00 0.64 -0.08 0.02 0.00 0.00 177.57 178.26 3knh h GLU 61 N -0.42 0.00 0.00 1.57 4.81 -1.49 -2.87 114.58 116.18 3knh h GLU 61 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3knh h GLU 61 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3knh h GLU 61 CO -0.48 0.00 -0.58 0.09 -0.73 0.00 0.00 179.01 177.31 3knh n ASN 62 N -3.30 1.58 -0.35 1.04 4.13 -0.47 -4.70 115.26 113.19 3knh n ASN 62 Ca 0.08 0.48 0.01 0.00 1.68 0.00 0.00 54.58 56.83 3knh n ASN 62 Cb 0.80 -0.78 0.07 0.00 -1.54 0.00 0.00 39.78 38.32 3knh n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3knh n THR 63 N -4.24 -0.46 -3.06 3.41 -1.04 -0.24 -4.83 114.28 103.82 3knh n THR 63 Ca -0.08 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.10 3knh n THR 63 Cb 0.30 -2.91 0.00 0.00 -1.82 0.00 0.00 70.33 65.90 3knh n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3knh n TRP 64 N -5.42 0.00 -2.19 -1.42 2.14 -1.21 -5.12 117.44 104.22 3knh n TRP 64 Ca 0.11 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.37 3knh n TRP 64 Cb 0.40 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.89 3knh n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 3knh s LYS 65 N 0.82 3.81 0.20 -2.67 2.47 -1.26 -4.85 119.74 118.26 3knh s LYS 65 Ca 0.00 0.87 0.09 0.00 -1.56 0.00 0.00 55.97 55.37 3knh s LYS 65 Cb 0.00 -2.12 -0.04 0.00 -1.46 0.00 0.00 37.83 34.21 3knh s LYS 65 CO 0.00 -0.39 -0.09 -0.51 0.16 0.00 0.00 175.35 174.52 3knh s LEU 66 N -4.51 2.96 0.28 5.43 1.43 0.16 -4.86 118.68 119.56 3knh s LEU 66 Ca 0.57 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 3knh s LEU 66 Cb -0.10 -1.60 -0.15 0.00 0.03 0.00 0.00 46.19 44.36 3knh s LEU 66 CO 0.40 0.08 0.76 -1.84 0.23 0.00 0.00 176.35 175.99 3knh n GLU 67 N -0.17 0.76 0.00 1.70 -0.00 -0.92 0.14 120.64 122.15 3knh n GLU 67 Ca -0.10 0.27 0.00 0.00 -0.00 0.00 0.00 57.16 57.33 3knh n GLU 67 Cb 0.56 -1.49 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 3knh n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3knh n GLY 68 N 1.58 1.91 3.44 -1.84 0.00 -1.26 -4.78 105.19 104.24 3knh n GLY 68 Ca 0.13 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3knh n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knh s GLU 69 N 0.00 3.21 0.00 1.61 0.41 0.37 -0.54 118.70 123.75 3knh s GLU 69 Ca 0.00 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 3knh s GLU 69 Cb 0.00 -4.38 0.00 0.00 -1.78 0.00 0.00 34.13 27.97 3knh s GLU 69 CO 0.00 -1.78 0.00 -0.11 -0.49 0.00 0.00 175.26 172.88 3knh n LEU 70 N 7.29 0.00 0.01 1.80 0.00 -1.21 0.35 117.00 125.25 3knh n LEU 70 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.96 3knh n LEU 70 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.76 3knh n LEU 70 CO 0.61 0.00 -0.28 -0.09 0.00 0.00 0.00 177.39 177.63 3knh h ARG 71 N 0.00 0.00 0.00 1.96 2.43 -1.64 -2.62 114.38 114.51 3knh h ARG 71 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3knh h ARG 71 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3knh h ARG 71 CO 0.00 0.60 -0.62 0.00 -1.51 0.00 0.00 179.97 178.44 3knh h ALA 72 N 1.07 0.80 0.75 2.80 0.00 -1.16 -2.27 119.26 121.26 3knh h ALA 72 Ca -0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 3knh h ALA 72 Cb 1.87 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.57 3knh h ALA 72 CO 0.09 0.78 -0.36 1.49 0.00 0.00 0.00 179.25 181.25 3knh h GLU 73 N 0.00 -0.97 -0.60 0.00 4.81 -1.79 -2.72 114.58 113.30 3knh h GLU 73 Ca -0.01 0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 3knh h GLU 73 Cb 1.23 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 3knh h GLU 73 CO 0.08 -0.65 0.48 0.28 -0.73 0.00 0.00 179.01 178.48 3knh h VAL 74 N -1.12 0.56 -0.26 0.32 2.07 -1.49 0.94 116.25 117.28 3knh h VAL 74 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3knh h VAL 74 Cb 0.77 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3knh h VAL 74 CO 0.17 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.86 3knh h ALA 75 N 1.60 0.29 0.06 1.67 0.00 -1.09 -1.43 119.26 120.37 3knh h ALA 75 Ca 0.29 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.91 3knh h ALA 75 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3knh h ALA 75 CO -0.00 -0.31 -1.69 0.00 0.00 0.00 0.00 179.25 177.25 3knh h ALA 76 N 1.15 0.55 0.00 0.00 0.00 -0.99 -2.52 119.26 117.44 3knh h ALA 76 Ca 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3knh h ALA 76 Cb 0.07 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3knh h ALA 76 CO -0.10 1.39 0.19 -1.71 0.00 0.00 0.00 179.25 179.02 3knh n ASN 77 N -3.27 0.26 -0.00 0.00 5.15 0.31 0.22 115.26 117.93 3knh n ASN 77 Ca -0.19 0.53 0.03 0.00 -0.60 0.00 0.00 54.58 54.34 3knh n ASN 77 Cb 1.04 -0.51 -0.05 0.00 -0.53 0.00 0.00 39.78 39.73 3knh n ASN 77 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3knh n ILE 78 N -1.85 0.02 -0.30 -1.44 5.41 -0.55 -4.44 119.36 116.20 3knh n ILE 78 Ca -0.01 -0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.56 3knh n ILE 78 Cb 0.21 0.30 0.07 0.00 -0.71 0.00 0.00 39.64 39.51 3knh n ILE 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3knh h LYS 79 N 0.00 1.16 -0.95 0.38 1.57 0.31 -1.09 116.57 117.95 3knh h LYS 79 Ca -0.01 -0.14 0.20 0.00 -1.87 0.00 0.00 60.65 58.83 3knh h LYS 79 Cb 0.33 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 3knh h LYS 79 CO 0.00 0.86 0.61 -0.09 -0.57 0.00 0.00 179.45 180.26 3knh h ARG 80 N 1.15 0.51 -0.11 3.15 2.43 -0.63 0.41 114.38 121.29 3knh h ARG 80 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3knh h ARG 80 Cb 0.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3knh h ARG 80 CO -0.05 0.34 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 3knh n LEU 81 N -4.59 0.11 -0.83 3.80 4.32 -0.41 0.20 117.00 119.60 3knh n LEU 81 Ca 0.21 -0.06 0.07 0.00 -0.02 0.00 0.00 56.01 56.21 3knh n LEU 81 Cb 0.67 -0.06 0.20 0.00 -1.62 0.00 0.00 43.42 42.62 3knh n LEU 81 CO 0.28 0.03 0.67 0.80 -1.22 0.00 0.00 177.39 177.95 3knh n MET 82 N -0.18 2.93 0.00 3.23 0.00 0.14 -4.24 117.12 119.00 3knh n MET 82 Ca 0.00 -2.29 0.00 0.00 -0.00 0.00 0.00 57.70 55.41 3knh n MET 82 Cb 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 31.82 3knh n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3knh n ASP 83 N 0.59 0.00 0.12 6.12 3.85 0.53 -4.45 116.55 123.31 3knh n ASP 83 Ca 0.16 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.29 3knh n ASP 83 Cb 0.54 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.59 3knh n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3knh n ILE 84 N 0.00 0.82 -1.03 2.12 2.08 -1.26 -4.79 119.36 117.30 3knh n ILE 84 Ca 0.00 0.68 0.00 0.00 0.56 0.00 0.00 62.75 63.99 3knh n ILE 84 Cb 0.00 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.21 3knh n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knh n GLY 85 N -1.29 -1.99 3.44 7.39 0.00 -1.26 -5.08 105.19 106.39 3knh n GLY 85 Ca -0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3knh n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh h TYR 87 N -2.04 0.39 0.00 0.00 3.20 -1.95 0.10 116.97 116.67 3knh h TYR 87 Ca -0.39 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3knh h TYR 87 Cb 1.11 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.31 3knh h TYR 87 CO 0.00 0.82 0.00 -0.09 -1.64 0.00 0.00 178.16 177.25 3knh h ARG 88 N 0.23 0.00 -0.01 1.82 2.43 -1.94 -2.44 114.38 114.47 3knh h ARG 88 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3knh h ARG 88 Cb 1.10 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3knh h ARG 88 CO 0.10 0.00 -0.36 0.78 -1.51 0.00 0.00 179.97 178.98 3knh h GLY 89 N 2.48 0.29 0.00 2.80 0.00 -1.03 -3.38 103.07 104.23 3knh h GLY 89 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3knh h GLY 89 CO 0.00 0.43 0.00 1.04 0.00 0.00 0.00 176.54 178.01 3knh n LEU 90 N -4.41 0.00 0.00 3.11 4.77 -0.39 -3.55 117.00 116.53 3knh n LEU 90 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3knh n LEU 90 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3knh n LEU 90 CO 0.42 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 177.02 3knh n ARG 91 N 0.00 0.00 -0.31 3.23 5.12 -1.25 -3.05 116.66 120.40 3knh n ARG 91 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 3knh n ARG 91 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 3knh n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3knh h HIS 92 N 0.00 -1.56 -0.41 -1.55 3.86 -1.74 0.71 115.15 114.47 3knh h HIS 92 Ca 0.00 0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3knh h HIS 92 Cb 0.00 0.79 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 3knh h HIS 92 CO 0.00 -0.41 -0.24 0.54 0.86 0.00 0.00 177.93 178.68 3knh n ARG 93 N -5.35 -0.18 -3.48 2.45 3.00 -1.17 -1.47 116.66 110.45 3knh n ARG 93 Ca 0.02 0.91 -0.41 0.00 -0.01 0.00 0.00 57.85 58.36 3knh n ARG 93 Cb 0.32 -1.34 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 3knh n ARG 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3knh s ARG 94 N -4.39 3.63 0.00 5.56 3.00 0.18 -4.98 118.95 121.95 3knh s ARG 94 Ca -0.05 -3.05 0.00 0.00 0.00 0.00 0.00 55.73 52.63 3knh s ARG 94 Cb 0.05 -4.25 0.00 0.00 0.00 0.00 0.00 34.95 30.74 3knh s ARG 94 CO 0.26 -1.25 0.00 0.41 0.00 0.00 0.00 175.30 174.72 3knh n GLY 95 N 2.86 0.00 3.02 -3.53 0.00 -0.54 -4.67 105.19 102.33 3knh n GLY 95 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3knh n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knh s LEU 96 N 0.00 2.30 0.02 0.99 1.43 -1.12 -4.42 118.68 117.88 3knh s LEU 96 Ca 0.00 -0.63 -0.35 0.00 -1.03 0.00 0.00 54.13 52.12 3knh s LEU 96 Cb 0.00 0.06 -0.13 0.00 0.03 0.00 0.00 46.19 46.15 3knh s LEU 96 CO 0.00 -0.35 1.68 -0.81 0.23 0.00 0.00 176.35 177.10 3knh n PRO 97 N 1.21 1.97 -1.72 1.29 -0.04 -1.26 -4.36 135.00 132.09 3knh n PRO 97 Ca -0.21 0.72 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 3knh n PRO 97 Cb 0.56 -2.50 0.05 0.00 -0.04 0.00 0.00 33.50 31.58 3knh n PRO 97 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3knh n VAL 98 N 4.09 3.26 -2.69 0.52 0.24 -1.26 -4.62 118.33 117.87 3knh n VAL 98 Ca 0.20 -3.71 -0.07 0.00 -2.04 0.00 0.00 64.34 58.72 3knh n VAL 98 Cb 0.27 -1.18 0.06 0.00 -1.47 0.00 0.00 33.84 31.51 3knh n VAL 98 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3knh n ARG 99 N -0.75 1.22 -3.10 7.34 1.74 -1.26 -4.98 116.66 116.86 3knh n ARG 99 Ca 0.54 -2.78 -0.00 0.00 -0.77 0.00 0.00 57.85 54.84 3knh n ARG 99 Cb 0.63 -0.86 -0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3knh n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knh n GLY 100 N -0.32 -0.16 0.00 -0.13 0.00 -1.26 -5.01 105.19 98.31 3knh n GLY 100 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3knh n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knh n GLN 101 N 2.06 0.00 -4.05 1.61 6.02 -1.26 -5.14 117.38 116.62 3knh n GLN 101 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 3knh n GLN 101 Cb 0.19 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.30 3knh n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3knh s ARG 102 N 3.94 2.63 0.11 -1.09 1.81 -1.26 -4.96 118.95 120.13 3knh s ARG 102 Ca 0.00 -1.09 0.19 0.00 -1.72 0.00 0.00 55.73 53.11 3knh s ARG 102 Cb 0.00 -2.82 -0.09 0.00 -0.45 0.00 0.00 34.95 31.60 3knh s ARG 102 CO 0.00 -0.41 0.90 0.25 -0.68 0.00 0.00 175.30 175.36 3knh n THR 103 N 4.55 0.97 0.00 0.02 -2.24 -1.26 -4.51 114.28 111.82 3knh n THR 103 Ca -0.17 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3knh n THR 103 Cb 0.46 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3knh n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3knh n ARG 104 N -2.81 3.35 -0.83 -0.78 0.63 -1.26 -4.88 116.66 110.08 3knh n ARG 104 Ca -0.06 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.60 3knh n ARG 104 Cb 0.73 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.66 3knh n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3knh n THR 105 N 0.00 0.00 -4.41 5.15 -2.24 -1.26 -4.69 114.28 106.83 3knh n THR 105 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3knh n THR 105 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3knh n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3knh n ASN 106 N 2.08 -0.93 -1.15 3.42 4.13 -1.26 -4.86 115.26 116.70 3knh n ASN 106 Ca 0.03 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.18 3knh n ASN 106 Cb 0.36 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.59 3knh n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3knh n ALA 107 N 2.74 -0.28 0.16 5.41 0.00 -1.26 -4.92 120.51 122.36 3knh n ALA 107 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.65 3knh n ALA 107 Cb 0.00 -1.37 0.53 0.00 0.00 0.00 0.00 19.45 18.61 3knh n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 108 N -2.21 0.13 0.13 0.00 3.00 -1.26 -2.34 116.66 114.11 3knh n ARG 108 Ca -0.12 0.61 -0.06 0.00 -0.01 0.00 0.00 57.85 58.27 3knh n ARG 108 Cb 0.54 -1.91 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 3knh n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3knh h THR 109 N 0.00 0.00 0.00 0.55 2.02 -1.91 -3.29 112.91 110.28 3knh h THR 109 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3knh h THR 109 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3knh h THR 109 CO 0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43 3knh n ARG 110 N -4.36 0.98 -3.47 6.66 1.74 -1.08 -4.22 116.66 112.91 3knh n ARG 110 Ca -0.05 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 3knh n ARG 110 Cb 0.15 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.37 3knh n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3knh s LYS 111 N -1.81 0.26 0.00 5.56 1.02 -0.99 -4.06 119.74 119.73 3knh s LYS 111 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3knh s LYS 111 Cb 0.00 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3knh s LYS 111 CO 0.00 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.81 3knh n GLY 112 N 5.23 -0.39 3.45 -3.33 0.00 -1.26 -4.31 105.19 104.58 3knh n GLY 112 Ca -0.04 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3knh n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knh n PRO 113 N -0.10 0.55 -0.86 1.61 -0.04 -1.26 -4.89 135.00 130.00 3knh n PRO 113 Ca 0.00 0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 3knh n PRO 113 Cb 0.00 -1.51 0.15 0.00 -0.04 0.00 0.00 33.50 32.10 3knh n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knh n ARG 114 N 0.57 -0.19 0.00 0.54 1.74 -1.26 -4.93 116.66 113.12 3knh n ARG 114 Ca 0.11 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3knh n ARG 114 Cb 0.41 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3knh n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knh n LYS 115 N -3.49 1.88 0.00 5.56 4.01 -1.26 -5.10 118.16 119.77 3knh n LYS 115 Ca 0.12 -1.16 0.00 0.00 -0.51 0.00 0.00 58.31 56.76 3knh n LYS 115 Cb 0.52 -0.91 0.00 0.00 -0.51 0.00 0.00 35.03 34.12 3knh n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3knh n THR 116 N -0.34 0.00 0.00 -0.18 -1.04 -1.26 -5.00 114.28 106.46 3knh n THR 116 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knh n THR 116 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 3knh n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3knh n VAL 117 N 0.00 0.00 -1.94 12.58 0.31 -1.26 -5.09 118.33 122.93 3knh n VAL 117 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3knh n VAL 117 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3knh n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh s ALA 118 N -1.24 2.65 0.44 3.52 0.00 -1.26 -5.07 121.76 120.81 3knh s ALA 118 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3knh s ALA 118 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3knh s ALA 118 CO 0.00 -0.97 0.02 0.20 0.00 0.00 0.00 175.76 175.01 3knh s GLY 119 N -2.73 2.68 -0.62 0.00 0.00 -1.26 -5.04 107.32 100.35 3knh s GLY 119 Ca 0.65 -1.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 3knh s GLY 119 CO 0.39 -2.09 2.43 0.28 0.00 0.00 0.00 173.10 174.11 3knh n LYS 120 N -1.05 0.65 0.00 2.90 5.02 -1.26 -5.37 118.16 119.05 3knh n LYS 120 Ca -0.11 0.09 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 3knh n LYS 120 Cb 0.67 -2.40 0.18 0.00 -0.02 0.00 0.00 35.03 33.46 3knh n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51