#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s ARG 3 N 0.00 4.58 -0.63 0.54 3.52 -1.26 -5.01 118.95 120.68 3knm s ARG 3 Ca 0.00 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3knm s ARG 3 Cb 0.00 -3.43 0.16 0.00 -1.56 0.00 0.00 34.95 30.12 3knm s ARG 3 CO 0.00 0.07 0.43 0.00 -0.81 0.00 0.00 175.30 174.99 3knm s ALA 4 N 0.59 3.60 1.24 6.12 0.00 -1.26 -5.09 121.76 126.97 3knm s ALA 4 Ca 0.48 -3.41 -0.18 0.00 0.00 0.00 0.00 51.96 48.85 3knm s ALA 4 Cb -0.21 -2.47 0.30 0.00 0.00 0.00 0.00 23.12 20.73 3knm s ALA 4 CO 0.27 -2.09 1.04 -1.59 0.00 0.00 0.00 175.76 173.39 3knm s LYS 5 N -0.45 -1.51 0.45 0.00 -2.85 -1.26 -4.90 119.74 109.23 3knm s LYS 5 Ca 0.19 0.20 0.22 0.00 -1.00 0.00 0.00 55.97 55.58 3knm s LYS 5 Cb -0.19 -1.54 1.09 0.00 -2.06 0.00 0.00 37.83 35.13 3knm s LYS 5 CO -0.05 -3.96 1.93 1.15 0.10 0.00 0.00 175.35 174.52 3knm h THR 6 N -2.77 0.77 0.00 3.79 2.02 -2.06 -3.46 112.91 111.20 3knm h THR 6 Ca -0.49 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 65.77 3knm h THR 6 Cb 1.32 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3knm h THR 6 CO 0.38 0.22 0.00 0.61 0.37 0.00 0.00 175.52 177.10 3knm n GLY 7 N -0.38 2.54 0.00 2.16 0.00 -1.26 -4.04 105.19 104.21 3knm n GLY 7 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3knm n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knm n VAL 8 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.87 118.33 114.12 3knm n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 8 Cb 0.00 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 3knm n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3knm n VAL 9 N -0.38 0.00 -0.39 2.52 0.31 -1.26 -2.41 118.33 116.73 3knm n VAL 9 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3knm n VAL 9 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3knm n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3knm h ARG 10 N 0.00 -0.04 -0.49 5.55 2.43 -1.90 0.34 114.38 120.28 3knm h ARG 10 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3knm h ARG 10 Cb 0.00 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 3knm h ARG 10 CO 0.00 -0.02 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.16 3knm h ARG 11 N -0.04 -0.07 -0.31 0.20 2.43 -1.83 0.14 114.38 114.89 3knm h ARG 11 Ca 0.17 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3knm h ARG 11 Cb 0.45 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3knm h ARG 11 CO -0.91 -0.05 -0.03 0.00 -1.51 0.00 0.00 179.97 177.47 3knm h ARG 12 N -0.07 0.05 -0.01 0.20 3.08 -0.76 0.64 114.38 117.51 3knm h ARG 12 Ca 0.23 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.31 3knm h ARG 12 Cb 0.43 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3knm h ARG 12 CO -0.54 0.03 -0.33 0.87 -1.07 0.00 0.00 179.97 178.93 3knm h LYS 13 N 0.05 -0.47 -0.23 0.04 1.57 0.89 -2.64 116.57 115.78 3knm h LYS 13 Ca 0.15 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3knm h LYS 13 Cb 0.22 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 3knm h LYS 13 CO -0.28 -0.31 -0.37 0.45 -0.57 0.00 0.00 179.45 178.36 3knm h HIS 14 N -0.48 -1.06 0.00 -1.35 3.86 0.14 -0.37 115.15 115.88 3knm h HIS 14 Ca 0.06 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3knm h HIS 14 Cb 0.57 0.50 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3knm h HIS 14 CO -0.36 -0.43 0.00 0.36 0.86 0.00 0.00 177.93 178.36 3knm n LYS 15 N -5.42 0.04 -0.02 2.45 2.85 0.13 -1.77 118.16 116.42 3knm n LYS 15 Ca -0.02 0.27 -0.13 0.00 -1.05 0.00 0.00 58.31 57.38 3knm n LYS 15 Cb 0.35 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.12 3knm n LYS 15 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3knm h LYS 16 N 0.00 -0.01 -0.62 -1.58 1.57 -0.69 -2.06 116.57 113.18 3knm h LYS 16 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3knm h LYS 16 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3knm h LYS 16 CO 0.00 0.52 0.26 0.82 -0.57 0.00 0.00 179.45 180.48 3knm h ILE 17 N -0.53 1.23 -0.97 1.86 1.08 -1.33 -2.66 117.51 116.19 3knm h ILE 17 Ca -0.00 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.80 3knm h ILE 17 Cb 0.53 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3knm h ILE 17 CO 0.00 0.28 0.63 -0.07 -0.69 0.00 0.00 178.15 178.30 3knm h LEU 18 N 0.86 1.06 -1.09 1.44 3.38 -1.32 -1.25 115.31 118.39 3knm h LEU 18 Ca 0.21 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3knm h LEU 18 Cb 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3knm h LEU 18 CO -0.02 0.73 -0.26 0.50 0.09 0.00 0.00 178.44 179.48 3knm h LYS 19 N 1.23 0.32 0.00 1.13 3.64 -1.04 -1.28 116.57 120.57 3knm h LYS 19 Ca 0.38 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3knm h LYS 19 Cb -0.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3knm h LYS 19 CO -0.12 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 178.91 3knm n LEU 20 N -4.14 0.00 -0.01 5.20 4.77 -0.55 -2.87 117.00 119.41 3knm n LEU 20 Ca -0.01 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 3knm n LEU 20 Cb 0.38 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3knm n LEU 20 CO 0.41 -0.15 -0.57 0.00 -1.33 0.00 0.00 177.39 175.75 3knm n ALA 21 N -1.47 2.90 -1.37 -1.18 0.00 -0.57 -5.00 120.51 113.83 3knm n ALA 21 Ca 0.06 -0.41 -0.52 0.00 0.00 0.00 0.00 53.44 52.57 3knm n ALA 21 Cb 0.22 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 3knm n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 22 N -1.94 0.23 0.00 0.00 4.76 -0.71 -1.97 118.16 118.53 3knm n LYS 22 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3knm n LYS 22 Cb 0.40 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3knm n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knm n GLY 23 N 6.97 0.87 3.85 0.72 0.00 -1.26 -5.10 105.19 111.24 3knm n GLY 23 Ca 0.55 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 3knm n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knm s TYR 24 N -0.96 3.49 0.00 1.61 4.12 -0.83 -5.07 117.35 119.70 3knm s TYR 24 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 57.07 58.52 3knm s TYR 24 Cb 0.00 -2.77 0.00 0.00 -1.52 0.00 0.00 41.96 37.67 3knm s TYR 24 CO 0.00 -0.42 0.00 1.87 0.02 0.00 0.00 175.55 177.02 3knm n TRP 25 N -1.79 0.00 0.00 2.71 -0.00 -1.26 -4.18 117.44 112.91 3knm n TRP 25 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 3knm n TRP 25 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 3knm n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3knm n GLY 26 N 0.00 -2.85 0.00 5.87 0.00 -1.26 -4.32 105.19 102.63 3knm n GLY 26 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 3knm n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knm n LEU 27 N 0.00 0.00 0.01 0.99 4.77 -1.26 -2.44 117.00 119.07 3knm n LEU 27 Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.20 3knm n LEU 27 Cb 0.00 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.67 3knm n LEU 27 CO 0.00 0.00 1.20 0.03 -1.33 0.00 0.00 177.39 177.29 3knm h ARG 28 N 0.00 0.00 -0.01 3.23 2.47 -1.82 -0.18 114.38 118.07 3knm h ARG 28 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 3knm h ARG 28 Cb 0.00 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 27.96 3knm h ARG 28 CO 0.00 0.00 -1.00 -1.13 0.56 0.00 0.00 179.97 178.40 3knm n SER 29 N -3.36 1.07 0.00 7.04 3.41 -1.02 -3.84 113.62 116.91 3knm n SER 29 Ca 0.12 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3knm n SER 29 Cb 0.99 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3knm n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3knm n LYS 30 N 0.36 0.32 -4.14 4.33 4.76 -0.16 -4.83 118.16 118.81 3knm n LYS 30 Ca 0.07 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.17 3knm n LYS 30 Cb 1.11 -0.54 -0.10 0.00 -1.84 0.00 0.00 35.03 33.65 3knm n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3knm s SER 31 N -1.27 5.37 0.13 4.39 1.04 -0.72 -5.00 113.70 117.64 3knm s SER 31 Ca 0.00 0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.14 3knm s SER 31 Cb 0.00 -1.90 -0.07 0.00 0.10 0.00 0.00 66.02 64.15 3knm s SER 31 CO 0.00 0.18 1.57 2.19 0.98 0.00 0.00 173.24 178.16 3knm h PHE 32 N 6.63 -1.41 -0.10 5.02 -0.00 -1.92 -0.39 116.94 124.78 3knm h PHE 32 Ca -0.36 0.06 0.01 0.00 -0.00 0.00 0.00 57.97 57.68 3knm h PHE 32 Cb 1.18 0.65 -0.01 0.00 -0.00 0.00 0.00 35.95 37.76 3knm h PHE 32 CO 0.55 -0.50 -0.07 0.00 -0.00 0.00 0.00 178.31 178.29 3knm h ARG 33 N -0.48 -0.02 0.00 6.09 2.47 -1.94 0.11 114.38 120.60 3knm h ARG 33 Ca 0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3knm h ARG 33 Cb 0.64 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3knm h ARG 33 CO -0.47 -0.01 -0.01 0.87 0.56 0.00 0.00 179.97 180.91 3knm h LYS 34 N -0.02 0.00 0.04 0.04 1.79 -1.75 -2.87 116.57 113.80 3knm h LYS 34 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3knm h LYS 34 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3knm h LYS 34 CO -0.10 0.01 -0.02 0.00 -1.08 0.00 0.00 179.45 178.26 3knm h ALA 35 N 1.99 -0.34 -0.52 3.86 0.00 0.78 -3.04 119.26 122.00 3knm h ALA 35 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3knm h ALA 35 Cb 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3knm h ALA 35 CO 0.00 -0.34 -0.25 -2.13 0.00 0.00 0.00 179.25 176.54 3knm n ARG 36 N -2.33 -0.17 -0.20 0.00 0.63 0.19 0.16 116.66 114.94 3knm n ARG 36 Ca -0.01 0.79 0.01 0.00 -0.92 0.00 0.00 57.85 57.72 3knm n ARG 36 Cb 0.02 -1.16 0.11 0.00 0.45 0.00 0.00 32.46 31.87 3knm n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3knm h GLU 37 N 0.00 0.24 0.45 -0.14 5.08 -1.62 0.14 114.58 118.73 3knm h GLU 37 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3knm h GLU 37 Cb 0.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3knm h GLU 37 CO -0.50 0.16 -0.38 1.15 -1.00 0.00 0.00 179.01 178.44 3knm h THR 38 N 0.25 0.22 -1.12 1.13 2.02 0.17 -2.46 112.91 113.11 3knm h THR 38 Ca 0.31 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.81 3knm h THR 38 Cb 0.46 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 66.99 3knm h THR 38 CO -0.41 0.00 0.72 -0.07 0.37 0.00 0.00 175.52 176.14 3knm h LEU 39 N -0.83 0.37 0.12 2.58 3.38 0.42 0.70 115.31 122.06 3knm h LEU 39 Ca -0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3knm h LEU 39 Cb 0.72 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3knm h LEU 39 CO -0.03 0.00 -0.06 -0.26 0.09 0.00 0.00 178.44 178.19 3knm h PHE 40 N 0.29 -0.16 0.00 1.13 0.05 -0.33 -1.99 116.94 115.94 3knm h PHE 40 Ca 0.66 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.44 3knm h PHE 40 Cb 1.83 0.05 0.00 0.00 2.00 0.00 0.00 35.95 39.83 3knm h PHE 40 CO -0.00 -0.10 0.00 0.00 -0.18 0.00 0.00 178.31 178.03 3knm n ALA 41 N -2.10 1.13 0.07 2.45 0.00 -0.90 -0.80 120.51 120.36 3knm n ALA 41 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3knm n ALA 41 Cb 0.07 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 3knm n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm h ALA 42 N 2.08 0.64 0.13 0.00 0.00 -0.60 -2.85 119.26 118.65 3knm h ALA 42 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.91 53.95 3knm h ALA 42 Cb 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3knm h ALA 42 CO 0.00 0.74 -1.52 0.78 0.00 0.00 0.00 179.25 179.25 3knm h GLY 43 N 3.70 0.30 1.86 0.00 0.00 -0.20 -2.28 103.07 106.45 3knm h GLY 43 Ca -0.10 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.34 3knm h GLY 43 CO 0.05 0.68 -0.45 3.43 0.00 0.00 0.00 176.54 180.25 3knm h ASN 44 N 0.07 0.16 -0.12 0.19 -0.26 -1.56 -1.10 115.58 112.96 3knm h ASN 44 Ca -0.24 -0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.26 3knm h ASN 44 Cb 2.02 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 39.24 3knm h ASN 44 CO 0.17 0.59 -0.60 1.88 -1.06 0.00 0.00 177.43 178.41 3knm h TYR 45 N 0.12 0.84 0.00 1.19 0.99 -1.54 -2.45 116.97 116.13 3knm h TYR 45 Ca 0.01 -0.37 -0.01 0.00 2.00 0.00 0.00 58.73 60.36 3knm h TYR 45 Cb 0.84 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 38.44 3knm h TYR 45 CO 0.01 1.17 -0.06 0.00 -0.00 0.00 0.00 178.16 179.28 3knm h ALA 46 N 0.50 1.02 0.08 3.88 0.00 -1.20 0.22 119.26 123.76 3knm h ALA 46 Ca -0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3knm h ALA 46 Cb 1.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3knm h ALA 46 CO 0.12 0.08 -0.51 -0.92 0.00 0.00 0.00 179.25 178.02 3knm h TYR 47 N 0.00 0.37 0.00 0.00 3.20 -1.12 -1.83 116.97 117.59 3knm h TYR 47 Ca -0.00 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.55 3knm h TYR 47 Cb 0.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3knm h TYR 47 CO 0.00 1.18 -0.32 0.00 -1.64 0.00 0.00 178.16 177.38 3knm h ALA 48 N 0.09 1.24 0.00 1.82 0.00 -1.31 -2.71 119.26 118.39 3knm h ALA 48 Ca -0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3knm h ALA 48 Cb 1.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3knm h ALA 48 CO 0.10 0.40 -0.41 0.45 0.00 0.00 0.00 179.25 179.78 3knm h HIS 49 N 0.00 0.00 -0.39 0.00 3.86 -0.57 -1.83 115.15 116.22 3knm h HIS 49 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3knm h HIS 49 Cb 0.66 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 3knm h HIS 49 CO 0.00 0.23 -0.17 0.00 0.86 0.00 0.00 177.93 178.85 3knm h ARG 50 N 0.00 0.81 -0.53 2.45 3.08 -1.01 -1.11 114.38 118.08 3knm h ARG 50 Ca -0.01 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 3knm h ARG 50 Cb 1.19 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3knm h ARG 50 CO 0.03 0.97 0.23 0.87 -1.07 0.00 0.00 179.97 181.00 3knm h LYS 51 N 0.62 0.77 -0.46 0.04 1.79 -1.46 -2.92 116.57 114.96 3knm h LYS 51 Ca 0.09 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3knm h LYS 51 Cb 0.72 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3knm h LYS 51 CO 0.05 0.66 0.25 0.00 -1.08 0.00 0.00 179.45 179.33 3knm h ARG 52 N 0.71 0.64 -0.98 3.15 2.47 -1.09 -2.54 114.38 116.73 3knm h ARG 52 Ca 0.18 -0.08 0.27 0.00 -1.26 0.00 0.00 59.98 59.09 3knm h ARG 52 Cb 0.16 -0.12 -0.18 0.00 -1.65 0.00 0.00 29.97 28.17 3knm h ARG 52 CO -0.02 0.51 0.02 -0.09 0.56 0.00 0.00 179.97 180.95 3knm h ARG 53 N 0.60 0.01 -0.01 0.04 2.43 -1.00 0.38 114.38 116.82 3knm h ARG 53 Ca 0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3knm h ARG 53 Cb 0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3knm h ARG 53 CO -0.03 0.01 -0.08 0.87 -1.51 0.00 0.00 179.97 179.23 3knm h LYS 54 N 0.01 -0.09 0.00 0.20 1.79 -1.46 -1.90 116.57 115.12 3knm h LYS 54 Ca 0.59 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 3knm h LYS 54 Cb 1.21 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3knm h LYS 54 CO -0.92 -0.06 0.00 2.89 -1.08 0.00 0.00 179.45 180.28 3knm n ARG 55 N -2.96 0.81 -0.00 3.15 1.85 -0.41 -2.64 116.66 116.46 3knm n ARG 55 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.63 3knm n ARG 55 Cb 0.06 -1.28 -0.14 0.00 -1.05 0.00 0.00 32.46 30.05 3knm n ARG 55 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3knm n ASP 56 N -0.78 2.06 0.13 2.89 8.00 0.12 -3.95 116.55 125.03 3knm n ASP 56 Ca 0.11 0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.81 3knm n ASP 56 Cb 0.05 -0.80 0.05 0.00 -0.02 0.00 0.00 41.12 40.40 3knm n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3knm h PHE 57 N 0.06 0.00 -0.44 1.24 -1.00 -1.20 -3.00 116.94 112.60 3knm h PHE 57 Ca -0.43 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.44 3knm h PHE 57 Cb 2.03 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 41.49 3knm h PHE 57 CO 0.07 0.58 -0.26 0.00 -1.61 0.00 0.00 178.31 177.09 3knm h ARG 58 N 0.00 -0.16 -0.60 1.51 3.08 -1.64 0.17 114.38 116.74 3knm h ARG 58 Ca -0.01 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3knm h ARG 58 Cb 1.38 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 3knm h ARG 58 CO 0.08 -0.11 0.22 0.00 -1.07 0.00 0.00 179.97 179.08 3knm h ARG 59 N -0.17 0.91 0.07 0.04 3.08 -1.66 -1.32 114.38 115.32 3knm h ARG 59 Ca 0.20 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3knm h ARG 59 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3knm h ARG 59 CO -0.54 0.79 -0.03 1.25 -1.07 0.00 0.00 179.97 180.37 3knm h LEU 60 N 0.84 -0.08 -0.01 3.04 7.12 -1.20 -2.42 115.31 122.58 3knm h LEU 60 Ca 0.20 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.19 3knm h LEU 60 Cb 0.24 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 3knm h LEU 60 CO -0.01 -0.03 -0.20 -0.50 -0.13 0.00 0.00 178.44 177.57 3knm h TRP 61 N -0.13 -0.59 0.00 1.25 6.55 -0.86 -2.82 115.95 119.35 3knm h TRP 61 Ca -0.01 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3knm h TRP 61 Cb 0.10 0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.66 3knm h TRP 61 CO -0.06 -0.21 0.00 -0.89 -1.05 0.00 0.00 178.44 176.23 3knm n ILE 62 N -3.60 0.00 -0.23 1.49 2.08 -0.51 -1.55 119.36 117.03 3knm n ILE 62 Ca -0.03 0.98 0.21 0.00 0.56 0.00 0.00 62.75 64.48 3knm n ILE 62 Cb 0.14 -1.37 0.40 0.00 -0.75 0.00 0.00 39.64 38.06 3knm n ILE 62 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3knm n VAL 63 N -1.81 -0.30 -0.10 1.39 0.31 -0.92 0.11 118.33 117.01 3knm n VAL 63 Ca 0.00 1.49 -0.13 0.00 -0.01 0.00 0.00 64.34 65.69 3knm n VAL 63 Cb 0.00 -2.38 -0.04 0.00 -0.91 0.00 0.00 33.84 30.51 3knm n VAL 63 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3knm h ARG 64 N 0.00 0.69 0.80 5.55 3.08 -1.03 0.24 114.38 123.70 3knm h ARG 64 Ca 0.59 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 3knm h ARG 64 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3knm h ARG 64 CO -0.58 0.95 -0.41 0.82 -1.07 0.00 0.00 179.97 179.68 3knm h ILE 65 N 0.44 0.16 -0.15 2.04 2.04 0.11 0.54 117.51 122.69 3knm h ILE 65 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3knm h ILE 65 Cb 0.80 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3knm h ILE 65 CO 0.06 0.00 -0.51 -1.13 0.00 0.00 0.00 178.15 176.57 3knm h ASN 66 N -1.11 -1.61 -0.03 1.72 -1.24 -1.06 0.62 115.58 112.86 3knm h ASN 66 Ca -0.11 0.20 0.01 0.00 0.71 0.00 0.00 56.30 57.11 3knm h ASN 66 Cb 0.86 0.64 -0.00 0.00 0.73 0.00 0.00 38.32 40.55 3knm h ASN 66 CO 0.16 -0.47 0.06 0.00 -1.29 0.00 0.00 177.43 175.89 3knm h ALA 67 N -0.15 1.37 0.00 1.57 0.00 -0.29 -1.08 119.26 120.68 3knm h ALA 67 Ca 0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3knm h ALA 67 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3knm h ALA 67 CO -0.44 -0.08 -0.87 0.00 0.00 0.00 0.00 179.25 177.86 3knm n ALA 68 N -2.20 0.62 0.33 0.00 0.00 0.19 -4.01 120.51 115.43 3knm n ALA 68 Ca -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 52.98 3knm n ALA 68 Cb 0.14 -0.14 0.33 0.00 0.00 0.00 0.00 19.45 19.79 3knm n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm n ARG 70 N -1.79 0.21 0.17 0.00 0.63 -0.41 -1.31 116.66 114.16 3knm n ARG 70 Ca 0.02 0.26 0.13 0.00 -0.92 0.00 0.00 57.85 57.34 3knm n ARG 70 Cb 0.13 -1.79 0.39 0.00 0.45 0.00 0.00 32.46 31.65 3knm n ARG 70 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3knm h GLN 71 N 0.00 0.00 -1.64 -0.14 4.20 -0.61 -3.22 115.11 113.70 3knm h GLN 71 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 3knm h GLN 71 Cb 0.59 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.05 3knm h GLN 71 CO 0.00 0.00 0.53 0.72 -0.67 0.00 0.00 178.83 179.41 3knm n HIS 72 N -2.66 3.10 0.00 2.96 8.25 -0.43 -5.00 115.22 121.45 3knm n HIS 72 Ca 0.04 -2.61 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 3knm n HIS 72 Cb 0.41 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.57 3knm n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knm n GLY 73 N -0.61 2.18 3.49 -1.41 0.00 -1.22 -4.93 105.19 102.69 3knm n GLY 73 Ca 0.52 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 3knm n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3knm n LEU 74 N 0.00 0.83 0.00 0.99 -0.00 -1.26 -4.78 117.00 112.79 3knm n LEU 74 Ca 0.00 0.38 -0.13 0.00 -0.00 0.00 0.00 56.01 56.27 3knm n LEU 74 Cb 0.00 -1.28 0.05 0.00 -0.00 0.00 0.00 43.42 42.19 3knm n LEU 74 CO 0.00 -3.19 0.26 -0.46 -0.00 0.00 0.00 177.39 174.00 3knm n ASN 75 N -1.94 1.16 0.08 1.45 0.23 -1.26 -3.12 115.26 111.86 3knm n ASN 75 Ca 0.08 -1.87 -0.03 0.00 -0.53 0.00 0.00 54.58 52.23 3knm n ASN 75 Cb 0.53 -0.30 -0.02 0.00 -2.08 0.00 0.00 39.78 37.91 3knm n ASN 75 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3knm h TYR 76 N -0.11 -0.20 -1.48 -2.53 3.20 -1.90 -1.39 116.97 112.58 3knm h TYR 76 Ca -0.18 -0.00 0.48 0.00 3.14 0.00 0.00 58.73 62.16 3knm h TYR 76 Cb 0.76 0.06 -0.12 0.00 1.54 0.00 0.00 36.73 38.98 3knm h TYR 76 CO 0.00 -0.12 0.98 0.66 -1.64 0.00 0.00 178.16 178.04 3knm h SER 77 N -0.22 0.17 0.14 -2.11 4.64 -1.99 0.14 113.55 114.33 3knm h SER 77 Ca -0.02 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3knm h SER 77 Cb 0.16 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3knm h SER 77 CO 0.04 -0.16 -0.07 0.71 -0.87 0.00 0.00 176.83 176.47 3knm h THR 78 N 0.04 0.00 -0.77 2.95 1.35 -1.95 -3.14 112.91 111.40 3knm h THR 78 Ca 0.86 -0.69 0.30 0.00 -0.55 0.00 0.00 66.41 66.33 3knm h THR 78 Cb 2.91 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 69.19 3knm h THR 78 CO -0.34 0.00 0.35 0.33 -0.25 0.00 0.00 175.52 175.62 3knm n PHE 79 N -4.44 0.83 0.09 4.73 -0.00 0.35 -0.22 117.46 118.80 3knm n PHE 79 Ca -0.02 0.91 -0.11 0.00 -0.00 0.00 0.00 57.45 58.22 3knm n PHE 79 Cb 0.08 -1.29 -0.07 0.00 -0.00 0.00 0.00 39.48 38.19 3knm n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3knm h ILE 80 N 0.00 0.71 -0.89 -2.13 1.08 -1.22 -2.71 117.51 112.35 3knm h ILE 80 Ca 0.62 -0.95 0.14 0.00 -0.39 0.00 0.00 64.86 64.28 3knm h ILE 80 Cb 1.61 1.15 -0.14 0.00 -3.07 0.00 0.00 36.82 36.36 3knm h ILE 80 CO -0.61 0.17 -0.34 1.57 -0.69 0.00 0.00 178.15 178.25 3knm n HIS 81 N -4.99 0.04 -0.06 1.37 -0.00 0.69 0.54 115.22 112.81 3knm n HIS 81 Ca -0.08 1.09 -0.07 0.00 0.46 0.00 0.00 57.72 59.12 3knm n HIS 81 Cb 0.26 -0.84 -0.01 0.00 -0.12 0.00 0.00 29.99 29.28 3knm n HIS 81 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3knm h GLY 82 N 0.00 0.06 0.83 1.57 0.00 -1.46 1.93 103.07 105.99 3knm h GLY 82 Ca 0.32 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.86 3knm h GLY 82 CO -0.88 -0.16 0.46 1.41 0.00 0.00 0.00 176.54 177.37 3knm h LEU 83 N -0.12 0.74 -0.08 3.11 4.07 0.43 1.53 115.31 124.99 3knm h LEU 83 Ca 0.14 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3knm h LEU 83 Cb 0.33 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3knm h LEU 83 CO -0.33 0.50 -0.27 1.17 -1.08 0.00 0.00 178.44 178.43 3knm n LYS 84 N -4.66 0.19 -0.04 1.13 3.00 0.35 0.17 118.16 118.30 3knm n LYS 84 Ca 0.09 -0.08 -0.15 0.00 -0.00 0.00 0.00 58.31 58.17 3knm n LYS 84 Cb 0.11 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.50 3knm n LYS 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3knm n LYS 85 N -1.33 0.69 -0.05 1.64 4.81 0.65 -3.30 118.16 121.27 3knm n LYS 85 Ca 0.08 0.21 0.07 0.00 -0.87 0.00 0.00 58.31 57.81 3knm n LYS 85 Cb 0.33 -1.67 0.35 0.00 0.02 0.00 0.00 35.03 34.05 3knm n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knm n ALA 86 N -2.87 2.54 -2.96 3.14 0.00 0.51 -4.90 120.51 115.97 3knm n ALA 86 Ca -0.30 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 3knm n ALA 86 Cb 1.06 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 3knm n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 87 N 0.87 -0.49 2.55 0.00 0.00 -0.28 -4.88 105.19 102.96 3knm n GLY 87 Ca 0.12 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3knm n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3knm n ILE 88 N -3.59 5.32 -1.54 -0.61 -5.35 0.44 -4.94 119.36 109.09 3knm n ILE 88 Ca -0.06 -4.64 -0.33 0.00 -0.27 0.00 0.00 62.75 57.45 3knm n ILE 88 Cb 0.56 -2.01 -0.06 0.00 -1.74 0.00 0.00 39.64 36.39 3knm n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3knm n GLU 89 N 1.60 0.76 0.00 6.28 0.28 -1.26 -4.57 120.64 123.72 3knm n GLU 89 Ca 0.57 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 3knm n GLU 89 Cb 0.26 -3.08 0.00 0.00 1.43 0.00 0.00 31.44 30.05 3knm n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3knm n VAL 90 N 7.95 0.00 0.00 3.84 0.31 -1.26 -4.99 118.33 124.18 3knm n VAL 90 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 3knm n VAL 90 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3knm n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knm n ASP 91 N 0.00 0.00 -0.66 4.52 4.64 -1.26 -4.46 116.55 119.33 3knm n ASP 91 Ca 0.00 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.35 3knm n ASP 91 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 3knm n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3knm n ARG 92 N 0.00 -1.64 0.00 -0.67 3.00 -1.26 0.29 116.66 116.38 3knm n ARG 92 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.85 58.34 3knm n ARG 92 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 32.46 28.03 3knm n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3knm n LYS 93 N -0.59 0.00 0.05 5.56 4.01 -1.26 -4.35 118.16 121.58 3knm n LYS 93 Ca -0.06 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.67 3knm n LYS 93 Cb 0.34 -1.91 0.09 0.00 -0.51 0.00 0.00 35.03 33.04 3knm n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3knm h ASN 94 N 0.00 0.43 -0.08 4.39 -1.24 -1.61 -2.86 115.58 114.61 3knm h ASN 94 Ca 0.00 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.77 3knm h ASN 94 Cb 0.00 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.92 3knm h ASN 94 CO 0.00 0.93 0.00 0.18 -1.29 0.00 0.00 177.43 177.25 3knm n LEU 95 N -3.91 2.52 0.07 0.34 4.77 0.83 -4.06 117.00 117.56 3knm n LEU 95 Ca -0.03 -1.12 0.11 0.00 -0.03 0.00 0.00 56.01 54.94 3knm n LEU 95 Cb 0.62 -0.04 0.45 0.00 -2.33 0.00 0.00 43.42 42.12 3knm n LEU 95 CO 0.46 0.48 0.85 0.00 -1.33 0.00 0.00 177.39 177.85 3knm n ALA 96 N 0.96 1.93 0.30 -1.18 0.00 -0.22 -3.01 120.51 119.29 3knm n ALA 96 Ca 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.64 3knm n ALA 96 Cb 0.43 -1.38 0.57 0.00 0.00 0.00 0.00 19.45 19.07 3knm n ALA 96 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3knm h ASP 97 N 0.00 0.00 0.00 0.00 2.03 -1.70 -1.31 116.42 115.44 3knm h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3knm h ASP 97 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3knm h ASP 97 CO 0.00 0.00 0.63 -0.07 -1.03 0.00 0.00 179.24 178.77 3knm h LEU 98 N 0.00 0.00 -1.27 0.15 3.38 -1.77 0.60 115.31 116.40 3knm h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3knm h LEU 98 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3knm h LEU 98 CO 0.00 0.00 0.09 0.00 0.09 0.00 0.00 178.44 178.62 3knm n ALA 99 N -1.50 0.91 -0.64 1.53 0.00 -0.50 -3.46 120.51 116.85 3knm n ALA 99 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3knm n ALA 99 Cb 0.64 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3knm n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knm n VAL 100 N -2.20 0.00 -2.29 0.00 0.31 0.21 -4.65 118.33 109.71 3knm n VAL 100 Ca -0.01 0.16 -0.39 0.00 -0.01 0.00 0.00 64.34 64.09 3knm n VAL 100 Cb 0.12 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.90 3knm n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3knm s ARG 101 N -0.36 4.26 -0.59 5.55 0.52 -1.22 -4.01 118.95 123.10 3knm s ARG 101 Ca 0.00 1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 56.92 3knm s ARG 101 Cb 0.00 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.61 3knm s ARG 101 CO 0.00 -0.17 0.64 -0.85 0.02 0.00 0.00 175.30 174.94 3knm n GLU 102 N 0.51 -1.81 0.00 3.54 0.00 -1.26 -4.52 120.64 117.10 3knm n GLU 102 Ca 0.02 1.27 0.09 0.00 0.00 0.00 0.00 57.16 58.54 3knm n GLU 102 Cb 0.45 -2.66 0.51 0.00 0.00 0.00 0.00 31.44 29.74 3knm n GLU 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3knm n PRO 103 N -1.11 0.39 -0.00 3.44 -0.04 -1.25 -3.37 135.00 133.06 3knm n PRO 103 Ca -0.14 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 3knm n PRO 103 Cb 0.66 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 3knm n PRO 103 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3knm n GLN 104 N -1.18 0.74 0.25 0.54 3.00 -1.26 -2.68 117.38 116.79 3knm n GLN 104 Ca 0.11 0.26 0.18 0.00 -0.01 0.00 0.00 57.00 57.54 3knm n GLN 104 Cb 0.12 -1.72 0.90 0.00 0.00 0.00 0.00 30.24 29.54 3knm n GLN 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3knm h VAL 105 N 0.06 0.30 -0.01 5.09 2.07 -1.91 2.82 116.25 124.68 3knm h VAL 105 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3knm h VAL 105 Cb 2.03 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3knm h VAL 105 CO 0.08 0.00 -0.14 0.33 0.02 0.00 0.00 177.57 177.87 3knm n PHE 106 N -3.51 0.00 -0.11 1.57 7.35 -1.21 -2.66 117.46 118.88 3knm n PHE 106 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 3knm n PHE 106 Cb 0.29 -0.06 -0.11 0.00 0.35 0.00 0.00 39.48 39.95 3knm n PHE 106 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3knm n ALA 107 N -0.19 1.20 0.03 3.13 0.00 0.88 -3.25 120.51 122.31 3knm n ALA 107 Ca 0.15 -0.97 0.03 0.00 0.00 0.00 0.00 53.44 52.65 3knm n ALA 107 Cb 0.36 -0.14 0.39 0.00 0.00 0.00 0.00 19.45 20.06 3knm n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3knm h GLU 108 N -0.50 0.46 -0.41 0.00 5.08 0.25 -0.48 114.58 119.00 3knm h GLU 108 Ca -0.58 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.63 3knm h GLU 108 Cb 1.74 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 3knm h GLU 108 CO -0.21 0.41 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.04 3knm h LEU 109 N 0.46 0.69 0.65 1.33 3.38 -1.65 0.76 115.31 120.93 3knm h LEU 109 Ca 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3knm h LEU 109 Cb 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3knm h LEU 109 CO -0.01 0.82 -0.31 0.58 0.09 0.00 0.00 178.44 179.61 3knm h VAL 110 N 0.65 0.18 -0.33 1.22 2.07 -1.13 -1.85 116.25 117.06 3knm h VAL 110 Ca 0.12 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3knm h VAL 110 Cb 0.54 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 3knm h VAL 110 CO 0.03 0.02 -0.40 -0.33 0.02 0.00 0.00 177.57 176.91 3knm h GLU 111 N -1.12 -0.34 -1.23 1.57 4.39 -0.92 0.64 114.58 117.58 3knm h GLU 111 Ca -0.09 0.02 0.38 0.00 0.34 0.00 0.00 59.36 60.01 3knm h GLU 111 Cb 0.71 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.32 3knm h GLU 111 CO 0.15 -0.23 0.79 0.00 -1.16 0.00 0.00 179.01 178.56 3knm h ARG 112 N -0.35 0.17 0.03 2.33 2.47 0.59 -1.50 114.38 118.13 3knm h ARG 112 Ca 0.13 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 3knm h ARG 112 Cb 0.58 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3knm h ARG 112 CO -0.52 0.12 -0.27 0.00 0.56 0.00 0.00 179.97 179.86 3knm h ALA 113 N 1.61 0.00 0.00 0.04 0.00 0.10 -3.25 119.26 117.76 3knm h ALA 113 Ca 0.74 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3knm h ALA 113 Cb 2.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.09 3knm h ALA 113 CO -0.38 0.14 0.00 0.36 0.00 0.00 0.00 179.25 179.37 3knm n LYS 114 N -4.49 0.59 -0.03 0.00 2.85 0.39 -1.53 118.16 115.95 3knm n LYS 114 Ca -0.12 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.93 3knm n LYS 114 Cb 0.57 -1.08 -0.13 0.00 -0.65 0.00 0.00 35.03 33.74 3knm n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knm n ALA 115 N -0.31 0.99 0.37 0.58 0.00 -0.77 -3.87 120.51 117.50 3knm n ALA 115 Ca 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 53.44 52.87 3knm n ALA 115 Cb 0.04 -0.54 0.52 0.00 0.00 0.00 0.00 19.45 19.47 3knm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm h ALA 116 N -0.02 1.00 -0.43 0.00 0.00 -1.39 -3.18 119.26 115.25 3knm h ALA 116 Ca -0.46 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 3knm h ALA 116 Cb 1.94 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 3knm h ALA 116 CO 0.02 0.00 2.14 1.04 0.00 0.00 0.00 179.25 182.45 3knm n GLN 117 N -2.32 3.81 0.00 0.00 1.13 -1.22 -4.99 117.38 113.78 3knm n GLN 117 Ca 0.02 -2.79 0.11 0.00 -1.94 0.00 0.00 57.00 52.40 3knm n GLN 117 Cb 0.22 -2.53 0.66 0.00 0.11 0.00 0.00 30.24 28.70 3knm n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03