#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n LEU 2 N 0.00 -2.42 0.00 3.17 -0.00 -1.26 -4.94 117.00 111.55 3knj n LEU 2 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 3knj n LEU 2 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 3knj n LEU 2 CO 0.00 -1.79 0.38 0.35 -0.00 0.00 0.00 177.39 176.33 3knj n THR 3 N 2.05 0.00 -4.41 1.96 -2.24 -1.26 -4.78 114.28 105.61 3knj n THR 3 Ca 0.00 1.25 -0.34 0.00 -2.27 0.00 0.00 64.05 62.69 3knj n THR 3 Cb 0.00 -2.23 -0.12 0.00 -2.10 0.00 0.00 70.33 65.89 3knj n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knj s ASP 4 N -2.15 4.87 -0.01 3.42 -1.08 -1.26 -5.01 116.67 115.45 3knj s ASP 4 Ca 0.00 -0.07 -0.24 0.00 -0.52 0.00 0.00 52.55 51.72 3knj s ASP 4 Cb 0.00 -1.68 -0.19 0.00 -1.46 0.00 0.00 42.92 39.58 3knj s ASP 4 CO 0.00 0.22 1.21 -0.65 0.52 0.00 0.00 175.17 176.47 3knj h PRO 5 N 6.35 0.17 0.00 4.34 0.11 -2.00 -3.23 132.00 137.74 3knj h PRO 5 Ca -0.36 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3knj h PRO 5 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3knj h PRO 5 CO 0.61 0.71 0.00 -0.89 -0.21 0.00 0.00 178.00 178.22 3knj n ILE 6 N -4.65 0.00 -0.27 4.15 -0.00 -1.26 -2.63 119.36 114.69 3knj n ILE 6 Ca -0.08 1.13 0.25 0.00 -0.00 0.00 0.00 62.75 64.05 3knj n ILE 6 Cb 0.36 -2.12 0.46 0.00 -0.00 0.00 0.00 39.64 38.34 3knj n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3knj n ALA 7 N -0.90 0.80 -0.09 -1.39 0.00 -1.26 0.32 120.51 117.98 3knj n ALA 7 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 53.44 54.20 3knj n ALA 7 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3knj n ALA 7 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3knj h ASP 8 N 0.00 -1.51 0.05 0.00 3.58 -1.56 1.47 116.42 118.45 3knj h ASP 8 Ca 0.69 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 58.35 3knj h ASP 8 Cb 1.77 0.64 0.00 0.00 1.72 0.00 0.00 39.33 43.46 3knj h ASP 8 CO -0.67 -0.40 -0.02 -0.03 -2.88 0.00 0.00 179.24 175.24 3knj h MET 9 N -0.39 -0.06 -0.27 0.28 4.05 0.11 0.17 114.93 118.82 3knj h MET 9 Ca 0.11 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.59 3knj h MET 9 Cb 0.60 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.34 3knj h MET 9 CO -0.53 0.18 -0.42 -0.07 0.23 0.00 0.00 176.91 176.30 3knj h LEU 10 N -0.30 -1.35 -0.44 3.39 3.38 -0.50 -0.46 115.31 119.03 3knj h LEU 10 Ca -0.01 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3knj h LEU 10 Cb 0.27 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3knj h LEU 10 CO 0.01 -0.39 0.19 0.74 0.09 0.00 0.00 178.44 179.08 3knj h THR 11 N -0.40 0.92 -0.84 0.22 2.02 0.21 -2.46 112.91 112.58 3knj h THR 11 Ca 0.11 -0.13 0.21 0.00 0.77 0.00 0.00 66.41 67.37 3knj h THR 11 Cb 0.60 0.50 -0.14 0.00 -1.74 0.00 0.00 68.15 67.37 3knj h THR 11 CO -0.49 0.07 0.18 -0.09 0.37 0.00 0.00 175.52 175.56 3knj h ARG 12 N 0.38 0.19 -0.49 6.66 2.43 0.89 -0.07 114.38 124.37 3knj h ARG 12 Ca 0.20 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3knj h ARG 12 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3knj h ARG 12 CO -0.17 0.13 -0.03 0.82 -1.51 0.00 0.00 179.97 179.20 3knj h ILE 13 N 0.20 1.27 -0.25 1.20 5.03 -0.76 -1.79 117.51 122.40 3knj h ILE 13 Ca 0.51 -1.13 0.06 0.00 -0.12 0.00 0.00 64.86 64.18 3knj h ILE 13 Cb 0.97 1.01 -0.07 0.00 -3.03 0.00 0.00 36.82 35.71 3knj h ILE 13 CO -0.64 0.39 -0.23 -0.09 -0.68 0.00 0.00 178.15 176.90 3knj h ARG 14 N 0.74 -0.22 -0.28 2.37 2.43 -0.69 -0.08 114.38 118.65 3knj h ARG 14 Ca 0.13 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3knj h ARG 14 Cb 0.56 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3knj h ARG 14 CO 0.03 -0.15 0.19 -0.91 -1.51 0.00 0.00 179.97 177.62 3knj h ASN 15 N -0.23 0.27 0.00 -3.80 2.35 -1.08 -2.26 115.58 110.82 3knj h ASN 15 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3knj h ASN 15 Cb 0.44 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3knj h ASN 15 CO -0.39 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 175.58 3knj n ALA 16 N -2.51 -0.26 -0.20 -0.83 0.00 -0.21 -4.05 120.51 112.45 3knj n ALA 16 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 3knj n ALA 16 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 3knj n ALA 16 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3knj h THR 17 N 0.00 0.08 -1.62 0.00 1.35 -1.07 -2.24 112.91 109.41 3knj h THR 17 Ca 0.00 0.00 0.47 0.00 -0.55 0.00 0.00 66.41 66.33 3knj h THR 17 Cb 0.00 0.08 -0.06 0.00 -1.73 0.00 0.00 68.15 66.44 3knj h THR 17 CO 0.00 0.00 1.25 0.03 -0.25 0.00 0.00 175.52 176.55 3knj h ARG 18 N -0.23 0.00 -0.01 4.72 -0.00 -1.58 0.86 114.38 118.14 3knj h ARG 18 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 3knj h ARG 18 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.53 3knj h ARG 18 CO -0.68 0.00 -0.27 1.33 0.00 0.00 0.00 179.97 180.34 3knj n VAL 19 N -3.86 0.00 -2.38 2.04 0.24 -0.86 -5.07 118.33 108.44 3knj n VAL 19 Ca 0.36 -0.36 -0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3knj n VAL 19 Cb 1.75 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 35.25 3knj n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3knj n TYR 20 N -0.32 -2.86 -4.14 6.34 4.01 0.29 -5.08 117.16 115.41 3knj n TYR 20 Ca 0.05 1.26 -0.15 0.00 -0.16 0.00 0.00 57.90 58.89 3knj n TYR 20 Cb 0.24 -3.32 -0.14 0.00 -0.31 0.00 0.00 39.34 35.81 3knj n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3knj s LYS 21 N -1.25 0.41 0.00 -0.72 2.20 -1.26 -5.06 119.74 114.07 3knj s LYS 21 Ca 0.01 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 3knj s LYS 21 Cb -0.00 -0.38 0.00 0.00 -1.51 0.00 0.00 37.83 35.94 3knj s LYS 21 CO 0.56 0.10 0.02 -1.91 -0.36 0.00 0.00 175.35 173.77 3knj n GLU 22 N 2.82 0.00 -0.51 4.03 4.07 -1.26 -4.70 120.64 125.09 3knj n GLU 22 Ca -0.14 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3knj n GLU 22 Cb 0.58 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 3knj n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3knj n SER 23 N -0.08 0.80 -0.84 4.31 3.41 -1.26 -3.15 113.62 116.82 3knj n SER 23 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3knj n SER 23 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knj n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3knj n THR 24 N 0.00 0.00 -2.93 6.66 -1.04 -1.24 -4.96 114.28 110.76 3knj n THR 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knj n THR 24 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3knj n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3knj n ASP 25 N -0.65 0.52 0.00 8.00 10.43 -1.26 -2.37 116.55 131.22 3knj n ASP 25 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3knj n ASP 25 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3knj n ASP 25 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 3knj n VAL 26 N 0.00 0.00 -1.68 2.53 3.14 -1.22 -4.88 118.33 116.22 3knj n VAL 26 Ca 0.00 0.00 -0.53 0.00 -2.96 0.00 0.00 64.34 60.85 3knj n VAL 26 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3knj n VAL 26 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3knj n PRO 27 N -0.46 1.53 -1.68 1.45 -0.02 -1.26 -1.50 135.00 133.05 3knj n PRO 27 Ca 0.00 0.56 -0.45 0.00 -2.02 0.00 0.00 63.50 61.59 3knj n PRO 27 Cb 0.00 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 3knj n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knj n ALA 28 N 5.16 1.49 -3.46 3.55 0.00 -1.24 -4.79 120.51 121.23 3knj n ALA 28 Ca 0.23 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 3knj n ALA 28 Cb 0.20 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.11 3knj n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knj s SER 29 N 2.61 -0.76 0.00 0.00 0.15 -1.26 -4.93 113.70 109.51 3knj s SER 29 Ca 0.84 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.49 3knj s SER 29 Cb -0.61 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 3knj s SER 29 CO 0.42 -0.25 0.57 -1.14 1.20 0.00 0.00 173.24 174.04 3knj n ARG 30 N 5.42 0.00 0.06 5.44 0.63 -1.26 0.27 116.66 127.22 3knj n ARG 30 Ca -0.07 0.57 0.17 0.00 -0.92 0.00 0.00 57.85 57.60 3knj n ARG 30 Cb 0.50 -0.90 0.41 0.00 0.45 0.00 0.00 32.46 32.91 3knj n ARG 30 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 3knj h PHE 31 N 0.00 0.00 0.09 -0.14 3.57 -2.00 1.32 116.94 119.78 3knj h PHE 31 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3knj h PHE 31 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 3knj h PHE 31 CO -0.43 0.00 -0.53 0.87 -2.23 0.00 0.00 178.31 175.98 3knj h LYS 32 N 0.00 0.19 -0.73 1.11 1.57 0.35 -3.20 116.57 115.87 3knj h LYS 32 Ca 0.24 -0.32 0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3knj h LYS 32 Cb 2.08 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 34.44 3knj h LYS 32 CO -0.00 1.16 0.36 0.93 -0.57 0.00 0.00 179.45 181.33 3knj h GLU 33 N -0.60 0.59 -0.78 3.15 5.08 0.39 0.39 114.58 122.79 3knj h GLU 33 Ca -0.10 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3knj h GLU 33 Cb 1.41 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 3knj h GLU 33 CO 0.09 0.39 0.40 0.93 -1.00 0.00 0.00 179.01 179.83 3knj h GLU 34 N 0.61 0.61 0.40 2.33 4.39 -1.33 0.19 114.58 121.79 3knj h GLU 34 Ca 0.36 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 3knj h GLU 34 Cb 0.39 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3knj h GLU 34 CO -0.27 0.41 -0.22 0.82 -1.16 0.00 0.00 179.01 178.58 3knj h ILE 35 N 0.63 0.00 -0.59 3.13 2.04 -0.94 -3.04 117.51 118.75 3knj h ILE 35 Ca 0.40 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.32 3knj h ILE 35 Cb 0.48 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.48 3knj h ILE 35 CO -0.31 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.28 3knj h LEU 36 N -0.57 -1.72 -0.34 1.44 3.38 -1.10 0.14 115.31 116.54 3knj h LEU 36 Ca -0.05 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3knj h LEU 36 Cb 0.45 0.73 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3knj h LEU 36 CO 0.07 -0.28 -0.14 -1.14 0.09 0.00 0.00 178.44 177.05 3knj n ARG 37 N -4.96 -0.09 0.37 1.13 0.63 0.65 0.11 116.66 114.51 3knj n ARG 37 Ca -0.01 0.52 -0.17 0.00 -0.92 0.00 0.00 57.85 57.27 3knj n ARG 37 Cb 0.26 -0.77 -0.08 0.00 0.45 0.00 0.00 32.46 32.32 3knj n ARG 37 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3knj h ILE 38 N 0.00 0.00 0.00 5.15 2.04 -0.85 -0.56 117.51 123.29 3knj h ILE 38 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3knj h ILE 38 Cb 0.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3knj h ILE 38 CO -0.33 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.09 3knj h LEU 39 N -1.03 0.00 -0.00 1.44 -0.00 0.10 0.51 115.31 116.32 3knj h LEU 39 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.56 3knj h LEU 39 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 3knj h LEU 39 CO 0.10 0.00 -1.06 0.00 -0.00 0.00 0.00 178.44 177.48 3knj h ALA 40 N 1.16 0.30 0.00 1.53 0.00 0.10 0.12 119.26 122.47 3knj h ALA 40 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 3knj h ALA 40 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3knj h ALA 40 CO 0.00 1.13 -1.62 2.89 0.00 0.00 0.00 179.25 181.64 3knj n ARG 41 N -3.44 0.64 -0.11 0.00 1.85 0.17 -3.94 116.66 111.82 3knj n ARG 41 Ca -0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.87 3knj n ARG 41 Cb 0.95 -1.67 0.18 0.00 -1.05 0.00 0.00 32.46 30.88 3knj n ARG 41 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3knj n GLU 42 N -2.55 1.57 -2.73 2.89 -0.58 -0.49 -4.92 120.64 113.83 3knj n GLU 42 Ca -0.07 -0.87 -0.09 0.00 -0.42 0.00 0.00 57.16 55.71 3knj n GLU 42 Cb 0.67 -1.23 0.05 0.00 -0.57 0.00 0.00 31.44 30.35 3knj n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knj n GLY 43 N 0.93 0.03 0.02 0.62 0.00 -1.22 -4.97 105.19 100.60 3knj n GLY 43 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 3knj n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knj n PHE 44 N -2.62 0.00 -4.08 1.61 3.72 0.40 -5.01 117.46 111.49 3knj n PHE 44 Ca -0.15 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.11 3knj n PHE 44 Cb 0.59 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.75 3knj n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3knj s ILE 45 N -2.26 0.31 -1.10 4.37 -4.36 -1.03 -3.26 121.20 113.86 3knj s ILE 45 Ca -0.03 -0.20 0.07 0.00 -0.26 0.00 0.00 60.65 60.23 3knj s ILE 45 Cb 0.03 -0.27 0.07 0.00 1.25 0.00 0.00 42.46 43.54 3knj s ILE 45 CO 0.25 0.07 1.18 0.29 0.24 0.00 0.00 174.94 176.97 3knj n LYS 46 N 2.93 0.02 -0.06 0.37 5.02 -0.94 -4.60 118.16 120.90 3knj n LYS 46 Ca -0.13 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3knj n LYS 46 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3knj n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knj n GLY 47 N -0.78 0.96 0.00 0.72 0.00 -1.25 -5.01 105.19 99.82 3knj n GLY 47 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3knj n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3knj n TYR 48 N 9.00 -0.35 0.00 1.61 0.18 -1.26 -2.49 117.16 123.85 3knj n TYR 48 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knj n TYR 48 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3knj n TYR 48 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 3knj n GLU 49 N 0.00 0.00 -2.28 -3.48 0.28 0.57 -4.93 120.64 110.81 3knj n GLU 49 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 3knj n GLU 49 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 3knj n GLU 49 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3knj s ARG 50 N -0.94 4.19 0.13 3.44 0.52 -1.26 0.60 118.95 125.64 3knj s ARG 50 Ca 0.00 1.92 0.01 0.00 -0.52 0.00 0.00 55.73 57.14 3knj s ARG 50 Cb 0.00 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 3knj s ARG 50 CO 0.00 -0.22 0.14 1.33 0.02 0.00 0.00 175.30 176.57 3knj n VAL 51 N 0.37 0.00 -4.18 3.52 0.24 -0.95 -4.84 118.33 112.50 3knj n VAL 51 Ca 0.03 -0.80 -0.16 0.00 -2.04 0.00 0.00 64.34 61.37 3knj n VAL 51 Cb 0.45 0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 33.15 3knj n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3knj s ASP 52 N -1.85 1.56 -0.42 -1.34 -0.00 -1.26 -2.50 116.67 110.87 3knj s ASP 52 Ca 0.13 -0.75 0.06 0.00 -0.00 0.00 0.00 52.55 52.00 3knj s ASP 52 Cb 0.00 -0.02 0.17 0.00 -0.00 0.00 0.00 42.92 43.08 3knj s ASP 52 CO 0.09 -0.19 0.56 -0.69 -0.00 0.00 0.00 175.17 174.94 3knj s VAL 53 N -2.03 -0.76 -1.01 -1.27 1.01 -0.65 -4.94 120.40 110.76 3knj s VAL 53 Ca 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3knj s VAL 53 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.09 3knj s VAL 53 CO 0.01 -0.21 0.27 0.47 0.00 0.00 0.00 175.10 175.64 3knj n ASP 54 N 4.08 -4.29 0.00 3.32 8.00 -1.26 -2.99 116.55 123.40 3knj n ASP 54 Ca 0.13 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3knj n ASP 54 Cb 0.53 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 3knj n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knj n GLY 55 N -1.17 1.48 3.59 0.44 0.00 -1.26 -5.05 105.19 103.22 3knj n GLY 55 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3knj n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knj s LYS 56 N -0.95 3.40 0.65 1.61 1.02 -1.16 -5.11 119.74 119.19 3knj s LYS 56 Ca 0.00 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 3knj s LYS 56 Cb 0.00 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 3knj s LYS 56 CO 0.00 0.45 0.96 -2.14 -0.92 0.00 0.00 175.35 173.70 3knj s PRO 57 N -0.18 2.60 0.19 -1.68 0.02 -1.26 -1.63 135.00 133.06 3knj s PRO 57 Ca 0.04 -0.09 -0.03 0.00 0.02 0.00 0.00 61.00 60.94 3knj s PRO 57 Cb -0.13 -2.21 0.01 0.00 0.02 0.00 0.00 34.50 32.19 3knj s PRO 57 CO 0.02 -0.95 0.31 0.66 -0.33 0.00 0.00 177.00 176.71 3knj n TYR 58 N -2.75 -1.22 -3.67 6.54 4.02 -1.04 -3.61 117.16 115.42 3knj n TYR 58 Ca 0.06 -1.15 -0.23 0.00 -0.01 0.00 0.00 57.90 56.57 3knj n TYR 58 Cb 0.59 0.36 -0.17 0.00 -0.02 0.00 0.00 39.34 40.09 3knj n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3knj s LEU 59 N 0.00 0.38 -0.00 7.72 1.43 -0.56 -2.24 118.68 125.40 3knj s LEU 59 Ca 0.13 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 3knj s LEU 59 Cb -0.01 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 3knj s LEU 59 CO 0.09 -0.28 1.01 -0.13 0.23 0.00 0.00 176.35 177.28 3knj s ARG 60 N 2.10 4.53 -0.41 1.70 1.81 0.20 -3.43 118.95 125.45 3knj s ARG 60 Ca 0.03 1.46 0.02 0.00 -1.72 0.00 0.00 55.73 55.53 3knj s ARG 60 Cb -0.14 -3.45 0.12 0.00 -0.45 0.00 0.00 34.95 31.03 3knj s ARG 60 CO -0.06 -0.10 0.20 0.08 -0.68 0.00 0.00 175.30 174.74 3knj s VAL 61 N 1.10 1.48 -0.39 3.52 1.01 -1.00 -0.31 120.40 125.81 3knj s VAL 61 Ca 0.53 -2.38 -0.28 0.00 0.00 0.00 0.00 61.98 59.85 3knj s VAL 61 Cb -0.22 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3knj s VAL 61 CO 0.27 -0.82 1.87 -0.31 0.00 0.00 0.00 175.10 176.12 3knj s TYR 62 N 0.59 1.70 0.48 5.22 2.02 -1.04 -3.73 117.35 122.59 3knj s TYR 62 Ca 0.15 0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 57.35 3knj s TYR 62 Cb -0.23 -4.07 -0.07 0.00 -0.40 0.00 0.00 41.96 37.19 3knj s TYR 62 CO -0.05 -2.86 1.13 -0.51 -1.57 0.00 0.00 175.55 171.69 3knj s LEU 63 N 7.74 3.94 -0.31 -1.29 2.01 -1.19 -2.22 118.68 127.37 3knj s LEU 63 Ca 0.80 2.21 -0.10 0.00 0.01 0.00 0.00 54.13 57.05 3knj s LEU 63 Cb -0.21 -4.36 -0.01 0.00 0.01 0.00 0.00 46.19 41.62 3knj s LEU 63 CO 0.31 -0.94 0.16 -0.75 1.01 0.00 0.00 176.35 176.13 3knj s LYS 64 N -2.89 3.39 0.02 1.70 2.20 -1.20 -4.64 119.74 118.32 3knj s LYS 64 Ca 0.66 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 3knj s LYS 64 Cb -0.26 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3knj s LYS 64 CO 0.30 -0.40 0.02 0.66 -0.36 0.00 0.00 175.35 175.57 3knj n TYR 65 N 4.99 -1.90 -2.91 4.03 4.02 -1.26 -4.13 117.16 120.00 3knj n TYR 65 Ca -0.14 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.90 57.47 3knj n TYR 65 Cb 0.49 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.88 3knj n TYR 65 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3knj s GLY 66 N -1.72 1.72 0.28 2.72 0.00 -0.95 -4.65 107.32 104.72 3knj s GLY 66 Ca 0.01 -2.08 -0.00 0.00 0.00 0.00 0.00 44.72 42.64 3knj s GLY 66 CO 0.01 -1.56 0.48 2.56 0.00 0.00 0.00 173.10 174.59 3knj s PRO 67 N -4.83 3.52 1.00 2.90 0.04 -1.26 -4.72 135.00 131.65 3knj s PRO 67 Ca 0.64 -0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 3knj s PRO 67 Cb -0.05 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 3knj s PRO 67 CO 0.41 0.27 -0.34 -2.13 0.04 0.00 0.00 177.00 175.25 3knj n ARG 68 N -1.23 -0.37 -1.99 4.56 0.63 -1.26 -3.95 116.66 113.06 3knj n ARG 68 Ca -0.05 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3knj n ARG 68 Cb 0.55 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3knj n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3knj n ARG 69 N 0.23 0.72 -3.97 -0.14 1.74 -1.24 -4.89 116.66 109.10 3knj n ARG 69 Ca 0.02 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 3knj n ARG 69 Cb 0.59 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.89 3knj n ARG 69 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3knj s GLN 70 N -1.98 2.81 0.00 5.56 -1.52 -1.26 -4.79 119.66 118.48 3knj s GLN 70 Ca 0.00 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.42 3knj s GLN 70 Cb 0.00 -2.96 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 3knj s GLN 70 CO 0.00 -0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.05 3knj n GLY 71 N 4.65 -1.08 3.20 3.09 0.00 -1.26 -4.95 105.19 108.84 3knj n GLY 71 Ca -0.17 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 3knj n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knj n PRO 72 N 0.00 0.00 -0.76 1.61 -0.02 -1.26 -3.26 135.00 131.31 3knj n PRO 72 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3knj n PRO 72 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3knj n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3knj n ASP 73 N 5.15 -1.02 -1.65 2.55 4.64 -1.26 -4.96 116.55 119.99 3knj n ASP 73 Ca 0.27 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.58 3knj n ASP 73 Cb 0.36 -0.51 0.15 0.00 -1.04 0.00 0.00 41.12 40.08 3knj n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3knj n PRO 74 N 0.29 2.23 -2.12 -0.67 -0.04 -1.20 -4.83 135.00 128.65 3knj n PRO 74 Ca 0.00 -1.89 -0.38 0.00 -0.04 0.00 0.00 63.50 61.19 3knj n PRO 74 Cb 0.00 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 3knj n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3knj s ARG 75 N -2.06 2.71 0.35 0.54 0.52 -1.26 -3.71 118.95 116.03 3knj s ARG 75 Ca 0.35 0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 55.90 3knj s ARG 75 Cb 0.29 -4.40 -0.08 0.00 0.52 0.00 0.00 34.95 31.28 3knj s ARG 75 CO 0.08 -2.68 -0.19 -0.35 0.02 0.00 0.00 175.30 172.18 3knj n PRO 76 N 9.20 0.00 -1.04 3.54 -0.04 -1.26 -4.93 135.00 140.47 3knj n PRO 76 Ca 0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 3knj n PRO 76 Cb 0.51 -0.51 0.21 0.00 -0.04 0.00 0.00 33.50 33.68 3knj n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3knj s GLU 77 N -0.69 -0.47 0.26 0.54 2.12 -1.25 -4.85 118.70 114.36 3knj s GLU 77 Ca 0.26 0.32 0.06 0.00 0.36 0.00 0.00 54.97 55.97 3knj s GLU 77 Cb -0.20 -1.65 -0.06 0.00 0.26 0.00 0.00 34.13 32.49 3knj s GLU 77 CO 0.37 -3.29 -0.05 -0.65 -0.54 0.00 0.00 175.26 171.10 3knj s GLN 78 N -5.06 1.48 -0.10 4.30 -0.21 -1.26 -2.23 119.66 116.59 3knj s GLN 78 Ca 0.68 -1.75 -0.13 0.00 0.02 0.00 0.00 55.36 54.18 3knj s GLN 78 Cb -0.16 -1.03 -0.11 0.00 1.00 0.00 0.00 33.01 32.71 3knj s GLN 78 CO 0.58 0.02 0.43 0.28 -2.12 0.00 0.00 175.29 174.48 3knj h VAL 79 N 2.34 0.66 -1.91 1.09 2.07 -1.83 -3.40 116.25 115.27 3knj h VAL 79 Ca -0.39 -1.36 -0.75 0.00 0.82 0.00 0.00 66.70 65.02 3knj h VAL 79 Cb 1.23 1.21 -0.17 0.00 -1.52 0.00 0.00 31.29 32.03 3knj h VAL 79 CO 0.66 0.21 1.59 -0.38 0.02 0.00 0.00 177.57 179.67 3knj n ILE 80 N -4.79 4.33 0.95 4.57 5.41 -1.26 -4.79 119.36 123.78 3knj n ILE 80 Ca -0.05 -4.65 0.03 0.00 1.00 0.00 0.00 62.75 59.08 3knj n ILE 80 Cb 0.20 -2.41 0.19 0.00 -0.71 0.00 0.00 39.64 36.91 3knj n ILE 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3knj n HIS 81 N 4.71 0.00 -3.79 1.39 8.25 -0.89 -4.78 115.22 120.12 3knj n HIS 81 Ca 0.37 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.79 3knj n HIS 81 Cb 0.40 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 3knj n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3knj s HIS 82 N -2.00 -0.08 0.00 4.41 5.65 -0.99 -4.94 115.29 117.33 3knj s HIS 82 Ca 0.10 -0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.13 3knj s HIS 82 Cb 0.04 0.67 0.00 0.00 -1.18 0.00 0.00 32.58 32.11 3knj s HIS 82 CO 0.07 -0.92 0.00 1.51 -0.65 0.00 0.00 174.74 174.75 3knj n ILE 83 N -0.51 0.00 -1.59 0.89 3.06 -1.25 -4.40 119.36 115.55 3knj n ILE 83 Ca -0.05 0.00 -0.47 0.00 -2.50 0.00 0.00 62.75 59.72 3knj n ILE 83 Cb 0.60 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.75 3knj n ILE 83 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3knj n ARG 84 N 0.00 1.27 -3.44 9.51 3.00 -1.22 -4.83 116.66 120.95 3knj n ARG 84 Ca 0.00 0.45 -0.41 0.00 -0.00 0.00 0.00 57.85 57.89 3knj n ARG 84 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 32.46 30.44 3knj n ARG 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3knj s ARG 85 N -0.70 3.49 0.50 -0.14 3.00 -1.26 -2.67 118.95 121.17 3knj s ARG 85 Ca 0.69 -0.53 0.07 0.00 -1.00 0.00 0.00 55.73 54.96 3knj s ARG 85 Cb -0.79 -3.82 0.03 0.00 0.00 0.00 0.00 34.95 30.36 3knj s ARG 85 CO 0.54 -0.53 0.49 0.42 0.00 0.00 0.00 175.30 176.23 3knj s ILE 86 N 1.92 2.19 -0.44 4.11 -1.09 0.42 -4.76 121.20 123.55 3knj s ILE 86 Ca 0.10 -1.30 -0.33 0.00 -2.23 0.00 0.00 60.65 56.88 3knj s ILE 86 Cb -0.17 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.27 3knj s ILE 86 CO 0.11 0.00 0.64 -0.24 -1.23 0.00 0.00 174.94 174.22 3knj n SER 87 N -1.80 -6.09 -4.92 3.58 2.88 -1.25 -4.53 113.62 101.50 3knj n SER 87 Ca 0.05 0.02 -0.27 0.00 -1.33 0.00 0.00 58.87 57.34 3knj n SER 87 Cb 0.62 -2.51 -0.02 0.00 -0.75 0.00 0.00 64.21 61.55 3knj n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3knj s LYS 88 N -2.46 3.56 0.44 -1.46 1.02 -1.15 -4.71 119.74 114.98 3knj s LYS 88 Ca 0.35 -0.14 0.25 0.00 0.02 0.00 0.00 55.97 56.45 3knj s LYS 88 Cb -0.05 -2.66 1.28 0.00 -0.52 0.00 0.00 37.83 35.88 3knj s LYS 88 CO 0.84 0.20 1.75 -1.00 -0.92 0.00 0.00 175.35 176.21 3knj h PRO 89 N 1.35 0.23 -2.43 -1.68 0.13 -1.98 -0.77 132.00 126.85 3knj h PRO 89 Ca -0.48 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 3knj h PRO 89 Cb 1.20 -0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 3knj h PRO 89 CO 0.65 0.15 1.81 0.41 -0.23 0.00 0.00 178.00 180.79 3knj n GLY 90 N -1.56 4.97 0.00 1.56 0.00 -1.26 -4.31 105.19 104.60 3knj n GLY 90 Ca 0.28 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3knj n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knj n ARG 91 N 1.46 0.00 -0.93 1.61 0.63 -0.33 -5.14 116.66 113.95 3knj n ARG 91 Ca 0.58 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.23 3knj n ARG 91 Cb 0.34 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.47 3knj n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3knj s ARG 92 N 0.00 -0.61 -0.09 -0.14 1.81 -0.95 -2.94 118.95 116.03 3knj s ARG 92 Ca 0.00 0.41 -0.07 0.00 -1.72 0.00 0.00 55.73 54.35 3knj s ARG 92 Cb 0.00 -1.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.90 3knj s ARG 92 CO 0.00 -3.40 0.23 0.08 -0.68 0.00 0.00 175.30 171.53 3knj s VAL 93 N -2.79 -0.01 -0.28 3.52 1.01 -1.26 -4.86 120.40 115.73 3knj s VAL 93 Ca 0.68 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3knj s VAL 93 Cb -0.18 -0.34 0.09 0.00 0.00 0.00 0.00 36.38 35.95 3knj s VAL 93 CO 0.59 0.02 0.07 -0.31 0.00 0.00 0.00 175.10 175.47 3knj s TYR 94 N 0.46 1.66 -0.34 5.22 2.02 -1.26 -2.97 117.35 122.14 3knj s TYR 94 Ca -0.03 -1.56 -0.13 0.00 -0.37 0.00 0.00 57.07 54.99 3knj s TYR 94 Cb -0.04 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 3knj s TYR 94 CO -0.02 -0.81 0.24 0.14 -1.57 0.00 0.00 175.55 173.53 3knj s VAL 95 N 1.64 5.27 1.08 0.71 -7.23 -0.57 -4.99 120.40 116.30 3knj s VAL 95 Ca 0.06 -0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.90 3knj s VAL 95 Cb -0.17 -3.70 0.24 0.00 0.56 0.00 0.00 36.38 33.30 3knj s VAL 95 CO -0.19 0.00 1.06 -0.83 -0.31 0.00 0.00 175.10 174.84 3knj s GLY 96 N 1.72 1.59 0.21 2.32 0.00 -1.26 -3.47 107.32 108.43 3knj s GLY 96 Ca 0.06 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.70 3knj s GLY 96 CO 0.10 0.68 1.63 -0.24 0.00 0.00 0.00 173.10 175.27 3knj h VAL 97 N -2.35 0.36 -0.83 1.40 3.04 -1.87 0.75 116.25 116.75 3knj h VAL 97 Ca -0.56 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.10 3knj h VAL 97 Cb 1.31 0.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.90 3knj h VAL 97 CO 0.49 0.00 0.41 0.11 -1.01 0.00 0.00 177.57 177.57 3knj h LYS 98 N 0.01 1.18 -0.12 4.17 1.57 -1.90 -1.91 116.57 119.57 3knj h LYS 98 Ca 0.32 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3knj h LYS 98 Cb 0.49 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3knj h LYS 98 CO -0.66 0.90 0.09 0.93 -0.57 0.00 0.00 179.45 180.14 3knj h GLU 99 N 1.17 0.00 -5.22 3.15 5.08 -1.19 -3.44 114.58 114.13 3knj h GLU 99 Ca 0.29 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.92 3knj h GLU 99 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3knj h GLU 99 CO -0.04 0.00 0.85 -0.89 -1.00 0.00 0.00 179.01 177.93 3knj n ILE 100 N -4.31 0.00 -1.43 3.13 5.41 -0.72 -4.89 119.36 116.54 3knj n ILE 100 Ca -0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 3knj n ILE 100 Cb 0.21 -0.43 0.09 0.00 -0.71 0.00 0.00 39.64 38.79 3knj n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3knj s PRO 101 N 3.79 2.20 -0.68 0.38 0.02 -1.26 -5.01 135.00 134.44 3knj s PRO 101 Ca 0.97 1.60 0.05 0.00 0.02 0.00 0.00 61.00 63.64 3knj s PRO 101 Cb -1.30 -1.86 0.28 0.00 0.02 0.00 0.00 34.50 31.64 3knj s PRO 101 CO 0.65 -1.75 0.91 0.54 -0.33 0.00 0.00 177.00 177.02 3knj n ARG 102 N -2.85 3.03 -1.67 5.54 3.00 -1.26 -4.92 116.66 117.52 3knj n ARG 102 Ca 0.12 -4.72 -0.47 0.00 -0.01 0.00 0.00 57.85 52.77 3knj n ARG 102 Cb 0.51 -2.28 -0.04 0.00 0.00 0.00 0.00 32.46 30.64 3knj n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3knj n VAL 103 N 0.54 0.16 -2.95 1.55 0.31 -1.26 -3.23 118.33 113.45 3knj n VAL 103 Ca 0.31 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.49 3knj n VAL 103 Cb 0.39 -1.57 0.06 0.00 -0.91 0.00 0.00 33.84 31.81 3knj n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knj n ARG 104 N 4.25 -3.68 -3.29 5.55 3.00 -1.26 -3.21 116.66 118.02 3knj n ARG 104 Ca 0.19 0.63 -0.04 0.00 -0.00 0.00 0.00 57.85 58.62 3knj n ARG 104 Cb 0.28 -4.86 -0.00 0.00 0.00 0.00 0.00 32.46 27.88 3knj n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knj n ARG 105 N -3.10 -0.99 0.00 -0.14 5.12 -1.20 0.10 116.66 116.46 3knj n ARG 105 Ca -0.15 -0.26 0.00 0.00 -1.93 0.00 0.00 57.85 55.51 3knj n ARG 105 Cb 0.61 0.19 0.00 0.00 -1.16 0.00 0.00 32.46 32.10 3knj n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knj n GLY 106 N -1.10 1.97 0.00 -0.13 0.00 -1.20 -4.92 105.19 99.81 3knj n GLY 106 Ca -0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 3knj n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knj n LEU 107 N 0.00 -0.00 -4.76 0.99 4.77 0.28 -4.60 117.00 113.68 3knj n LEU 107 Ca 0.00 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.89 3knj n LEU 107 Cb 0.00 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3knj n LEU 107 CO 0.00 -0.15 0.56 -0.83 -1.33 0.00 0.00 177.39 175.64 3knj s GLY 108 N -1.00 3.01 0.53 -0.72 0.00 -1.20 -5.01 107.32 102.94 3knj s GLY 108 Ca -0.00 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 45.11 3knj s GLY 108 CO 0.00 1.04 0.46 4.51 0.00 0.00 0.00 173.10 179.11 3knj n ILE 109 N 1.63 0.00 -3.15 0.90 3.06 -0.21 -4.39 119.36 117.20 3knj n ILE 109 Ca -0.04 -0.19 0.05 0.00 -2.50 0.00 0.00 62.75 60.08 3knj n ILE 109 Cb 0.48 -1.04 -0.02 0.00 0.54 0.00 0.00 39.64 39.60 3knj n ILE 109 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3knj s ALA 110 N -2.93 -3.52 0.89 1.51 0.00 -1.26 -1.96 121.76 114.49 3knj s ALA 110 Ca 0.30 1.41 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 3knj s ALA 110 Cb -0.03 -2.52 0.19 0.00 0.00 0.00 0.00 23.12 20.77 3knj s ALA 110 CO 0.23 -1.46 1.22 0.42 0.00 0.00 0.00 175.76 176.17 3knj s ILE 111 N 2.95 2.00 0.00 0.00 1.01 0.14 -0.88 121.20 126.43 3knj s ILE 111 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3knj s ILE 111 Cb -0.10 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3knj s ILE 111 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.84 3knj n LEU 112 N -3.46 0.00 -4.84 2.97 -0.00 -0.97 -3.18 117.00 107.51 3knj n LEU 112 Ca 0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.86 3knj n LEU 112 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.99 3knj n LEU 112 CO 0.42 0.00 0.69 -0.55 -0.00 0.00 0.00 177.39 177.95 3knj s SER 113 N 0.00 6.45 0.02 1.45 0.15 -0.45 -2.33 113.70 119.00 3knj s SER 113 Ca 0.00 1.60 -0.14 0.00 0.70 0.00 0.00 55.95 58.11 3knj s SER 113 Cb 0.00 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3knj s SER 113 CO 0.00 -0.70 0.30 0.42 1.20 0.00 0.00 173.24 174.46 3knj s THR 114 N -2.65 0.08 -1.26 6.45 -4.23 0.47 -1.77 115.64 112.72 3knj s THR 114 Ca 0.59 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 3knj s THR 114 Cb -0.11 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.90 3knj s THR 114 CO 0.34 -0.34 0.86 -1.54 -0.54 0.00 0.00 174.62 173.40 3knj n SER 115 N 0.81 0.00 -0.11 3.99 3.41 -1.26 -0.72 113.62 119.74 3knj n SER 115 Ca -0.20 0.36 0.02 0.00 -0.26 0.00 0.00 58.87 58.80 3knj n SER 115 Cb 0.58 -0.36 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 3knj n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3knj n LYS 116 N -1.36 1.20 -0.62 4.33 5.02 -1.26 -5.12 118.16 120.35 3knj n LYS 116 Ca 0.00 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 3knj n LYS 116 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3knj n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knj n GLY 117 N -0.47 0.28 2.65 0.72 0.00 0.10 -5.01 105.19 103.47 3knj n GLY 117 Ca 0.03 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 3knj n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 118 N -3.62 0.66 0.51 1.61 1.01 -1.26 0.18 120.40 119.48 3knj s VAL 118 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.52 3knj s VAL 118 Cb 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3knj s VAL 118 CO 0.00 -0.76 0.03 -0.76 0.00 0.00 0.00 175.10 173.61 3knj s LEU 119 N 1.46 2.37 0.30 3.92 1.43 -0.98 -4.90 118.68 122.28 3knj s LEU 119 Ca 0.12 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 51.69 3knj s LEU 119 Cb -0.19 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3knj s LEU 119 CO -0.21 -0.84 0.30 0.42 0.23 0.00 0.00 176.35 176.25 3knj s THR 120 N -2.86 4.00 0.12 5.49 -4.23 -1.26 -2.30 115.64 114.61 3knj s THR 120 Ca 0.10 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 3knj s THR 120 Cb 0.02 -3.33 0.13 0.00 1.34 0.00 0.00 72.50 70.66 3knj s THR 120 CO 0.05 -0.23 0.54 -0.90 -0.54 0.00 0.00 174.62 173.54 3knj n ASP 121 N -1.36 0.07 0.00 3.99 5.75 -0.05 -0.29 116.55 124.66 3knj n ASP 121 Ca -0.04 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 3knj n ASP 121 Cb 0.59 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3knj n ASP 121 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3knj n ARG 122 N -3.95 0.00 -0.38 0.11 1.74 -1.26 -3.25 116.66 109.67 3knj n ARG 122 Ca 0.11 0.36 0.33 0.00 -0.77 0.00 0.00 57.85 57.89 3knj n ARG 122 Cb 0.38 -0.85 0.60 0.00 -1.02 0.00 0.00 32.46 31.58 3knj n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3knj h GLU 123 N 0.00 0.08 0.86 5.56 5.08 -1.79 0.48 114.58 124.85 3knj h GLU 123 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3knj h GLU 123 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3knj h GLU 123 CO 0.00 0.05 -0.41 0.00 -1.00 0.00 0.00 179.01 177.65 3knj h ALA 124 N 1.79 -1.23 0.51 3.43 0.00 -0.81 -0.25 119.26 122.70 3knj h ALA 124 Ca 0.83 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 3knj h ALA 124 Cb 2.35 0.44 0.01 0.00 0.00 0.00 0.00 17.79 20.59 3knj h ALA 124 CO -0.59 -1.14 -0.25 -0.09 0.00 0.00 0.00 179.25 177.18 3knj h ARG 125 N -1.23 -0.66 -0.52 0.00 2.43 -0.48 -1.36 114.38 112.56 3knj h ARG 125 Ca -0.12 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3knj h ARG 125 Cb 0.88 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.48 3knj h ARG 125 CO 0.19 -0.43 -0.36 -0.22 -1.51 0.00 0.00 179.97 177.64 3knj h LYS 126 N -0.71 -0.21 -0.71 0.20 3.64 -0.32 0.48 116.57 118.95 3knj h LYS 126 Ca -0.07 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 3knj h LYS 126 Cb 0.54 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 3knj h LYS 126 CO 0.12 -0.14 0.47 -0.07 -2.27 0.00 0.00 179.45 177.56 3knj h LEU 127 N -0.21 0.40 -0.80 5.20 -0.00 -0.83 -3.47 115.31 115.60 3knj h LEU 127 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 3knj h LEU 127 Cb 0.55 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 3knj h LEU 127 CO -0.64 0.22 0.00 0.61 -0.00 0.00 0.00 178.44 178.63 3knj n GLY 128 N -1.52 0.87 0.00 0.83 0.00 0.17 -5.09 105.19 100.46 3knj n GLY 128 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3knj n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3knj n VAL 129 N -0.40 0.00 -3.64 1.61 0.24 -1.10 -5.02 118.33 110.03 3knj n VAL 129 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 3knj n VAL 129 Cb 0.14 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 3knj n VAL 129 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3knj s GLY 130 N -0.50 0.12 0.00 7.63 0.00 -1.26 -3.36 107.32 109.95 3knj s GLY 130 Ca 0.00 2.99 0.00 0.00 0.00 0.00 0.00 44.72 47.71 3knj s GLY 130 CO 0.00 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.22 3knj n GLY 131 N 1.17 4.67 3.35 0.20 0.00 -1.18 -4.63 105.19 108.77 3knj n GLY 131 Ca -0.07 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 3knj n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knj s GLU 132 N 3.83 3.00 -0.28 1.61 2.12 -0.73 -1.52 118.70 126.74 3knj s GLU 132 Ca 0.00 -1.49 -0.31 0.00 0.36 0.00 0.00 54.97 53.54 3knj s GLU 132 Cb 0.00 -4.22 -0.07 0.00 0.26 0.00 0.00 34.13 30.09 3knj s GLU 132 CO 0.00 -1.24 2.23 -0.11 -0.54 0.00 0.00 175.26 175.60 3knj n LEU 133 N 5.40 2.79 -0.07 2.70 0.00 -1.16 -1.34 117.00 125.33 3knj n LEU 133 Ca -0.12 0.24 -0.21 0.00 0.00 0.00 0.00 56.01 55.92 3knj n LEU 133 Cb 0.42 -1.45 -0.12 0.00 0.00 0.00 0.00 43.42 42.27 3knj n LEU 133 CO 0.52 -0.75 -0.40 0.40 0.00 0.00 0.00 177.39 177.16 3knj h ILE 134 N 7.17 1.04 -2.34 1.96 1.08 -1.78 -3.31 117.51 121.33 3knj h ILE 134 Ca -0.35 -2.26 0.07 0.00 -0.39 0.00 0.00 64.86 61.93 3knj h ILE 134 Cb 1.27 2.51 -0.16 0.00 -3.07 0.00 0.00 36.82 37.38 3knj h ILE 134 CO 0.99 0.49 0.42 0.00 -0.69 0.00 0.00 178.15 179.36 3knj s GLU 136 N -2.92 3.01 -0.18 0.00 -1.05 -1.09 0.26 118.70 116.73 3knj s GLU 136 Ca 0.02 -0.44 -0.05 0.00 -0.15 0.00 0.00 54.97 54.36 3knj s GLU 136 Cb -0.01 -2.77 0.07 0.00 -0.44 0.00 0.00 34.13 30.98 3knj s GLU 136 CO -0.08 0.66 0.13 0.08 0.95 0.00 0.00 175.26 177.00 3knj s VAL 137 N -0.76 -0.16 0.00 1.83 1.01 -0.83 -3.40 120.40 118.09 3knj s VAL 137 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3knj s VAL 137 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3knj s VAL 137 CO 0.02 -0.26 0.14 -2.67 0.00 0.00 0.00 175.10 172.33