#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knz h LEU -4 N 0.00 0.00 -0.69 1.20 -0.00 -2.02 -3.06 115.31 110.74 3knz h LEU -4 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 3knz h LEU -4 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3knz h LEU -4 CO 0.00 0.00 -0.32 0.22 -0.00 0.00 0.00 178.44 178.34 3knz h TYR -3 N 0.00 0.00 -0.03 0.17 5.03 -2.01 -3.24 116.97 116.89 3knz h TYR -3 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 3knz h TYR -3 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.93 3knz h TYR -3 CO 0.00 0.32 -0.24 0.74 -1.32 0.00 0.00 178.16 177.66 3knz h PHE -2 N 0.00 0.30 -1.06 -3.82 -1.00 -1.94 -3.17 116.94 106.25 3knz h PHE -2 Ca -0.00 -0.14 0.28 0.00 2.81 0.00 0.00 57.97 60.92 3knz h PHE -2 Cb 0.98 -0.04 -0.11 0.00 3.61 0.00 0.00 35.95 40.39 3knz h PHE -2 CO 0.00 0.89 0.67 1.96 -1.61 0.00 0.00 178.31 180.21 3knz h GLN -1 N -0.37 0.38 -0.59 1.51 7.50 -1.67 0.15 115.11 122.02 3knz h GLN -1 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3knz h GLN -1 Cb 0.93 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.37 3knz h GLN -1 CO 0.05 0.25 0.00 0.41 -1.50 0.00 0.00 178.83 178.04 3knz n GLY 0 N -1.44 0.79 1.81 3.46 0.00 -1.20 -3.19 105.19 105.42 3knz n GLY 0 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3knz n GLY 0 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knz n ASN 2 N 0.08 0.00 0.03 1.61 3.02 0.04 -2.35 115.26 117.68 3knz n ASN 2 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3knz n ASN 2 Cb 0.15 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.56 3knz n ASN 2 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3knz n GLU 3 N 0.00 0.13 0.06 3.52 1.02 -1.19 -4.38 120.64 119.81 3knz n GLU 3 Ca 0.00 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3knz n GLU 3 Cb 0.00 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 3knz n GLU 3 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3knz h THR 4 N 0.00 0.49 -0.60 2.62 2.02 -1.78 -2.01 112.91 113.64 3knz h THR 4 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 3knz h THR 4 Cb 0.61 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 67.42 3knz h THR 4 CO 0.00 0.00 0.11 -0.65 0.37 0.00 0.00 175.52 175.35 3knz h PRO 5 N -0.36 0.23 -0.68 6.66 0.11 -1.89 -0.56 132.00 135.51 3knz h PRO 5 Ca 0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3knz h PRO 5 Cb 0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3knz h PRO 5 CO -0.19 0.15 0.33 1.25 -0.21 0.00 0.00 178.00 179.33 3knz h LEU 6 N 0.23 0.89 -0.88 2.35 5.85 -1.76 -0.05 115.31 121.94 3knz h LEU 6 Ca 0.31 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3knz h LEU 6 Cb 0.47 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3knz h LEU 6 CO -0.42 0.77 0.57 0.03 -0.34 0.00 0.00 178.44 179.04 3knz h ARG 7 N 0.95 1.06 -0.22 1.25 -0.00 -0.53 -0.99 114.38 115.88 3knz h ARG 7 Ca 0.24 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.53 3knz h ARG 7 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 29.83 3knz h ARG 7 CO -0.03 0.70 -0.38 -0.07 0.00 0.00 0.00 179.97 180.18 3knz h LEU 8 N 1.09 0.53 -0.36 3.04 3.38 -0.50 -3.04 115.31 119.45 3knz h LEU 8 Ca 0.36 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3knz h LEU 8 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3knz h LEU 8 CO -0.13 0.87 -0.09 -0.07 0.09 0.00 0.00 178.44 179.11 3knz h LEU 9 N 0.42 0.70 -3.49 1.67 3.38 -0.59 -3.15 115.31 114.26 3knz h LEU 9 Ca 0.04 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3knz h LEU 9 Cb 0.86 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3knz h LEU 9 CO 0.07 0.90 0.00 -0.62 0.09 0.00 0.00 178.44 178.89 3knz n GLU 10 N -4.39 0.00 0.00 1.13 1.02 -0.42 -3.66 120.64 114.32 3knz n GLU 10 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3knz n GLU 10 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3knz n GLU 10 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3knz n LEU 12 N 1.74 0.00 -0.00 -4.62 4.77 -1.19 -2.55 117.00 115.15 3knz n LEU 12 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3knz n LEU 12 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3knz n LEU 12 CO 0.00 0.00 -0.17 0.35 -1.33 0.00 0.00 177.39 176.24 3knz n THR 13 N 0.00 0.00 -2.16 -5.08 -2.24 -1.24 -4.99 114.28 98.56 3knz n THR 13 Ca 0.00 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 3knz n THR 13 Cb 0.00 0.82 -0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3knz n THR 13 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3knz s GLN 14 N -2.47 3.68 0.14 -0.78 -0.21 -1.06 -5.00 119.66 113.96 3knz s GLN 14 Ca 0.03 1.88 -0.24 0.00 0.02 0.00 0.00 55.36 57.05 3knz s GLN 14 Cb 0.10 -2.42 -0.07 0.00 1.00 0.00 0.00 33.01 31.62 3knz s GLN 14 CO 0.58 -0.65 0.74 0.95 -2.12 0.00 0.00 175.29 174.79 3knz s THR 15 N -1.48 4.47 -0.61 -0.19 -4.23 -1.26 -5.01 115.64 107.34 3knz s THR 15 Ca 0.64 1.62 0.05 0.00 -1.18 0.00 0.00 61.69 62.83 3knz s THR 15 Cb -0.31 -4.10 0.19 0.00 1.34 0.00 0.00 72.50 69.62 3knz s THR 15 CO 0.38 0.51 0.52 0.54 -0.54 0.00 0.00 174.62 176.02 3knz n ARG 16 N 1.78 1.56 0.23 3.99 5.12 -1.26 -4.89 116.66 123.19 3knz n ARG 16 Ca -0.06 -4.17 0.06 0.00 -1.93 0.00 0.00 57.85 51.75 3knz n ARG 16 Cb 0.49 -2.08 0.56 0.00 -1.16 0.00 0.00 32.46 30.27 3knz n ARG 16 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3knz h GLU 17 N 5.09 0.03 -0.63 5.56 3.07 -1.99 -2.07 114.58 123.64 3knz h GLU 17 Ca 0.18 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 3knz h GLU 17 Cb 0.77 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 3knz h GLU 17 CO 0.65 0.11 0.35 0.38 -1.40 0.00 0.00 179.01 179.10 3knz h ASP 18 N 0.03 0.78 0.08 1.42 2.03 -1.91 -0.67 116.42 118.17 3knz h ASP 18 Ca 0.01 -0.09 -0.17 0.00 -0.73 0.00 0.00 57.03 56.05 3knz h ASP 18 Cb 0.16 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.46 3knz h ASP 18 CO 0.01 0.64 -0.62 -0.07 -1.03 0.00 0.00 179.24 178.17 3knz h LEU 19 N 0.85 0.61 -0.72 0.15 3.38 -1.74 -2.80 115.31 115.04 3knz h LEU 19 Ca 0.22 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3knz h LEU 19 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3knz h LEU 19 CO -0.04 1.08 -0.17 -0.50 0.09 0.00 0.00 178.44 178.90 3knz h TRP 20 N 0.39 0.91 -0.78 1.13 4.06 -1.22 -0.68 115.95 119.76 3knz h TRP 20 Ca -0.01 -0.19 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 3knz h TRP 20 Cb 1.18 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 3knz h TRP 20 CO 0.05 0.91 0.30 0.00 -3.56 0.00 0.00 178.44 176.14 3knz h ARG 21 N 0.72 1.18 -0.34 0.49 3.08 -1.08 0.14 114.38 118.57 3knz h ARG 21 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3knz h ARG 21 Cb 0.68 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3knz h ARG 21 CO 0.05 0.97 0.12 0.00 -1.07 0.00 0.00 179.97 180.04 3knz h ALA 22 N 1.16 0.44 -0.75 0.04 0.00 -1.23 -0.60 119.26 118.32 3knz h ALA 22 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3knz h ALA 22 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3knz h ALA 22 CO -0.02 0.06 0.45 0.00 0.00 0.00 0.00 179.25 179.75 3knz h ALA 23 N 0.96 0.96 -0.34 0.00 0.00 -0.74 0.44 119.26 120.53 3knz h ALA 23 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3knz h ALA 23 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3knz h ALA 23 CO -0.01 0.43 0.13 0.37 0.00 0.00 0.00 179.25 180.17 3knz h GLN 24 N 1.03 0.52 -0.22 0.00 4.15 -0.72 -2.10 115.11 117.77 3knz h GLN 24 Ca 0.27 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.61 3knz h GLN 24 Cb -0.04 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3knz h GLN 24 CO -0.05 0.53 0.06 0.00 -1.93 0.00 0.00 178.83 177.44 3knz h ALA 25 N 0.97 0.24 -0.73 3.38 0.00 -0.73 -0.35 119.26 122.05 3knz h ALA 25 Ca 0.11 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3knz h ALA 25 Cb 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3knz h ALA 25 CO -0.01 -0.36 0.35 1.25 0.00 0.00 0.00 179.25 180.48 3knz h LEU 26 N 0.16 0.43 -0.04 0.00 6.46 -0.74 0.22 115.31 121.80 3knz h LEU 26 Ca 0.10 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3knz h LEU 26 Cb 0.07 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3knz h LEU 26 CO -0.11 0.23 -0.04 0.74 -0.62 0.00 0.00 178.44 178.63 3knz h THR 27 N 0.57 1.38 0.00 1.05 2.02 -0.89 -2.89 112.91 114.15 3knz h THR 27 Ca 0.37 -1.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 3knz h THR 27 Cb 0.44 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3knz h THR 27 CO -0.30 0.32 -0.64 -0.33 0.37 0.00 0.00 175.52 174.95 3knz h GLU 28 N -0.35 0.00 -0.65 6.66 5.08 -0.78 -3.27 114.58 121.27 3knz h GLU 28 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3knz h GLU 28 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3knz h GLU 28 CO 0.01 0.64 0.00 0.54 -1.00 0.00 0.00 179.01 179.20 3knz n ARG 29 N -3.64 3.85 -3.46 2.33 1.74 0.04 -4.95 116.66 112.56 3knz n ARG 29 Ca -0.01 -2.46 -0.18 0.00 -0.77 0.00 0.00 57.85 54.43 3knz n ARG 29 Cb 0.66 -2.01 0.09 0.00 -1.02 0.00 0.00 32.46 30.18 3knz n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knz n GLY 30 N 0.66 -0.39 3.74 -0.13 0.00 -1.23 -4.98 105.19 102.85 3knz n GLY 30 Ca 0.22 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 3knz n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knz s VAL 31 N -3.36 3.88 -0.66 1.61 1.01 -1.09 -4.76 120.40 117.04 3knz s VAL 31 Ca 0.11 1.69 0.12 0.00 0.00 0.00 0.00 61.98 63.90 3knz s VAL 31 Cb -0.05 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3knz s VAL 31 CO 0.73 0.32 0.55 0.35 0.00 0.00 0.00 175.10 177.05 3knz n THR 32 N 2.12 0.00 -3.54 3.92 -2.24 0.45 -4.96 114.28 110.03 3knz n THR 32 Ca 0.02 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 3knz n THR 32 Cb 0.46 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3knz n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knz s ARG 33 N -2.10 0.74 -0.09 -0.78 1.70 -1.23 -4.32 118.95 112.86 3knz s ARG 33 Ca 0.05 -0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.04 3knz s ARG 33 Cb 0.10 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3knz s ARG 33 CO 0.49 -0.32 -0.11 0.42 -1.08 0.00 0.00 175.30 174.69 3knz s ILE 34 N -2.98 3.27 -0.22 4.99 1.09 -0.14 -1.44 121.20 125.78 3knz s ILE 34 Ca 0.07 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 59.02 3knz s ILE 34 Cb -0.01 -2.34 0.04 0.00 -1.06 0.00 0.00 42.46 39.09 3knz s ILE 34 CO -0.07 0.56 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.55 3knz s ILE 35 N -0.25 2.07 -0.20 2.92 1.01 0.38 -0.42 121.20 126.71 3knz s ILE 35 Ca 0.02 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 3knz s ILE 35 Cb -0.13 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3knz s ILE 35 CO 0.03 0.24 0.25 -0.76 0.00 0.00 0.00 174.94 174.70 3knz s LEU 36 N 1.21 4.18 -0.00 2.97 1.43 0.87 -0.10 118.68 129.23 3knz s LEU 36 Ca -0.02 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3knz s LEU 36 Cb -0.17 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3knz s LEU 36 CO -0.09 0.06 -0.10 0.28 0.23 0.00 0.00 176.35 176.73 3knz s THR 37 N 0.85 0.78 -1.46 5.49 -1.32 0.03 -2.02 115.64 117.99 3knz s THR 37 Ca 0.13 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3knz s THR 37 Cb -0.13 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3knz s THR 37 CO 0.04 0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 3knz n GLY 38 N 2.77 -1.42 3.30 6.08 0.00 -1.17 -0.76 105.19 113.99 3knz n GLY 38 Ca -0.14 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 3knz n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3knz s SER 39 N -2.40 2.23 1.18 1.61 0.01 -1.26 -4.34 113.70 110.73 3knz s SER 39 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 3knz s SER 39 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.15 3knz s SER 39 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 3knz n GLY 40 N -0.23 3.23 0.34 3.44 0.00 -1.26 -2.00 105.19 108.71 3knz n GLY 40 Ca -0.09 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3knz n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3knz h THR 41 N 0.00 0.84 -0.38 2.61 2.02 -1.97 0.08 112.91 116.11 3knz h THR 41 Ca 0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3knz h THR 41 Cb 0.00 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 3knz h THR 41 CO 0.00 0.16 0.23 0.28 0.37 0.00 0.00 175.52 176.56 3knz h SER 42 N 0.86 0.46 -0.67 4.18 0.02 -1.74 0.11 113.55 116.77 3knz h SER 42 Ca 0.50 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3knz h SER 42 Cb 0.59 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3knz h SER 42 CO -0.30 0.37 0.42 0.22 -1.14 0.00 0.00 176.83 176.39 3knz h TYR 43 N 0.50 0.86 -0.59 3.45 3.20 -1.07 -1.27 116.97 122.05 3knz h TYR 43 Ca 0.14 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3knz h TYR 43 Cb -0.00 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3knz h TYR 43 CO -0.04 0.57 0.09 0.45 -1.64 0.00 0.00 178.16 177.60 3knz h HIS 44 N 0.90 1.04 -0.58 -3.82 3.86 -0.56 -0.38 115.15 115.61 3knz h HIS 44 Ca 0.24 -0.15 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 3knz h HIS 44 Cb -0.05 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.08 3knz h HIS 44 CO -0.02 0.90 0.31 0.78 0.86 0.00 0.00 177.93 180.76 3knz h GLY 45 N 0.87 0.83 0.99 2.45 0.00 -0.46 0.18 103.07 107.93 3knz h GLY 45 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3knz h GLY 45 CO 0.01 0.14 0.24 0.00 0.00 0.00 0.00 176.54 176.93 3knz h ALA 46 N 1.30 0.49 -0.23 3.60 0.00 -0.75 -1.83 119.26 121.84 3knz h ALA 46 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3knz h ALA 46 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3knz h ALA 46 CO -0.16 -0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.12 3knz h LEU 47 N 0.51 0.22 -1.69 0.00 3.38 -0.44 -1.69 115.31 115.59 3knz h LEU 47 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3knz h LEU 47 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3knz h LEU 47 CO -0.03 0.16 0.18 0.74 0.09 0.00 0.00 178.44 179.58 3knz h THR 48 N 0.27 1.08 -0.01 0.22 2.02 -0.46 -2.99 112.91 113.04 3knz h THR 48 Ca 0.09 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3knz h THR 48 Cb -0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3knz h THR 48 CO -0.04 0.08 -0.47 0.00 0.37 0.00 0.00 175.52 175.46 3knz n ALA 49 N -2.49 3.55 0.12 6.16 0.00 -0.71 -4.65 120.51 122.49 3knz n ALA 49 Ca 0.01 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 3knz n ALA 49 Cb 0.08 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 3knz n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knz h ARG 50 N 1.64 -0.74 -0.47 0.00 2.43 -1.15 -2.78 114.38 113.31 3knz h ARG 50 Ca 0.00 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3knz h ARG 50 Cb 0.63 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.27 3knz h ARG 50 CO 0.00 -0.49 -0.02 1.15 -1.51 0.00 0.00 179.97 179.09 3knz h THR 51 N -0.77 0.61 0.00 0.20 2.02 -1.82 -0.58 112.91 112.57 3knz h THR 51 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3knz h THR 51 Cb 0.77 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3knz h THR 51 CO -0.27 0.02 0.00 0.33 0.37 0.00 0.00 175.52 175.96 3knz n PHE 52 N -5.25 0.00 0.00 3.16 7.35 -1.05 -1.95 117.46 119.72 3knz n PHE 52 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3knz n PHE 52 Cb 0.25 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.01 3knz n PHE 52 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3knz n GLN 54 N 0.83 0.00 0.31 -4.13 6.02 -0.23 -2.35 117.38 117.84 3knz n GLN 54 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 3knz n GLN 54 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3knz n GLN 54 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3knz h ARG 55 N 0.00 -1.00 0.00 -1.09 2.43 -1.66 0.15 114.38 113.21 3knz h ARG 55 Ca 0.00 0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3knz h ARG 55 Cb 0.00 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3knz h ARG 55 CO 0.00 -0.67 -0.35 -1.49 -1.51 0.00 0.00 179.97 175.96 3knz h TRP 56 N -1.04 0.00 0.00 2.20 4.06 -1.74 -2.75 115.95 116.67 3knz h TRP 56 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3knz h TRP 56 Cb 0.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3knz h TRP 56 CO -0.24 0.35 -0.37 0.00 -3.56 0.00 0.00 178.44 174.62 3knz n ALA 58 N -2.10 -1.21 -2.41 0.00 0.00 0.51 -4.94 120.51 110.36 3knz n ALA 58 Ca 0.03 0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.65 3knz n ALA 58 Cb 0.53 -4.49 -0.10 0.00 0.00 0.00 0.00 19.45 15.39 3knz n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knz s LEU 59 N -7.10 2.22 0.62 0.00 1.43 -1.19 -5.07 118.68 109.59 3knz s LEU 59 Ca 0.55 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 3knz s LEU 59 Cb -0.26 0.33 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 3knz s LEU 59 CO 0.68 -0.54 1.23 -2.84 0.23 0.00 0.00 176.35 175.11 3knz s PRO 60 N -3.23 2.79 -0.12 1.29 0.02 -1.26 -4.45 135.00 130.03 3knz s PRO 60 Ca 0.00 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 3knz s PRO 60 Cb 0.03 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.69 3knz s PRO 60 CO -0.07 -1.37 -0.00 0.08 -0.33 0.00 0.00 177.00 175.30 3knz s VAL 61 N -1.56 0.55 -0.05 3.83 1.01 -1.26 -0.96 120.40 121.97 3knz s VAL 61 Ca 0.79 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3knz s VAL 61 Cb -0.33 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3knz s VAL 61 CO 0.36 0.13 0.09 -1.81 0.00 0.00 0.00 175.10 173.87 3knz s ASP 62 N 1.88 5.86 -0.13 3.32 1.01 0.44 -5.00 116.67 124.05 3knz s ASP 62 Ca 0.03 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.54 3knz s ASP 62 Cb -0.14 -1.76 0.02 0.00 1.01 0.00 0.00 42.92 42.06 3knz s ASP 62 CO -0.07 0.32 -0.11 -0.69 0.21 0.00 0.00 175.17 174.84 3knz s VAL 63 N -1.11 1.32 0.20 -1.27 1.01 -1.26 -0.09 120.40 119.19 3knz s VAL 63 Ca 0.20 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3knz s VAL 63 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3knz s VAL 63 CO 0.10 0.42 0.51 0.00 0.00 0.00 0.00 175.10 176.13 3knz s TRP 65 N -3.90 3.19 0.40 0.00 0.51 -1.26 -3.05 118.94 114.83 3knz s TRP 65 Ca 0.11 1.56 0.10 0.00 -2.12 0.00 0.00 56.10 55.75 3knz s TRP 65 Cb -0.01 -2.93 0.89 0.00 -0.81 0.00 0.00 33.47 30.61 3knz s TRP 65 CO -0.01 -0.52 1.97 -1.35 -0.51 0.00 0.00 176.95 176.53 3knz h PRO 66 N 1.43 0.56 -2.33 4.98 0.11 -1.88 -3.33 132.00 131.55 3knz h PRO 66 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3knz h PRO 66 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3knz h PRO 66 CO 0.60 0.37 0.09 1.97 -0.21 0.00 0.00 178.00 180.82 3knz n PHE 67 N -4.48 0.00 -2.88 0.65 1.16 -1.26 -4.54 117.46 106.11 3knz n PHE 67 Ca 0.10 -0.45 0.00 0.00 -1.87 0.00 0.00 57.45 55.23 3knz n PHE 67 Cb 0.29 -0.59 0.00 0.00 -1.61 0.00 0.00 39.48 37.57 3knz n PHE 67 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3knz n LEU 69 N 2.33 0.00 -4.90 5.98 4.77 -1.25 -5.03 117.00 118.91 3knz n LEU 69 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 3knz n LEU 69 Cb 0.26 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.52 3knz n LEU 69 CO 0.10 0.00 0.84 1.51 -1.33 0.00 0.00 177.39 178.51 3knz s ASP 70 N -3.26 3.21 0.13 -1.43 3.84 -1.26 -4.81 116.67 113.09 3knz s ASP 70 Ca 0.00 0.41 -0.19 0.00 -0.00 0.00 0.00 52.55 52.77 3knz s ASP 70 Cb 0.00 -0.56 -0.05 0.00 -1.38 0.00 0.00 42.92 40.93 3knz s ASP 70 CO 0.00 -2.69 1.78 0.44 -0.00 0.00 0.00 175.17 174.70 3knz h ASP 71 N -1.61 0.25 -0.82 2.11 3.32 -1.96 -1.64 116.42 116.08 3knz h ASP 71 Ca -0.45 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 3knz h ASP 71 Cb 1.26 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 3knz h ASP 71 CO 0.43 0.18 0.54 -0.33 -1.72 0.00 0.00 179.24 178.35 3knz h GLU 72 N 0.31 1.08 -0.13 3.56 5.08 -1.99 0.41 114.58 122.91 3knz h GLU 72 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3knz h GLU 72 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3knz h GLU 72 CO -0.03 0.72 0.03 1.15 -1.00 0.00 0.00 179.01 179.88 3knz h THR 73 N 1.11 1.19 0.00 1.13 2.02 -1.88 -1.93 112.91 114.56 3knz h THR 73 Ca 0.30 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3knz h THR 73 Cb -0.13 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3knz h THR 73 CO -0.06 0.17 -0.20 -0.07 0.37 0.00 0.00 175.52 175.73 3knz h LEU 74 N 0.01 0.00 0.09 2.58 3.38 -0.74 -1.70 115.31 118.93 3knz h LEU 74 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3knz h LEU 74 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3knz h LEU 74 CO -0.00 0.20 -0.76 0.00 0.09 0.00 0.00 178.44 177.97 3knz h ALA 75 N 1.80 -0.02 -0.02 1.53 0.00 -0.78 -3.32 119.26 118.45 3knz h ALA 75 Ca -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3knz h ALA 75 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3knz h ALA 75 CO 0.03 0.38 -0.54 0.00 0.00 0.00 0.00 179.25 179.12 3knz h ARG 76 N -0.23 0.06 -7.05 0.00 2.47 -1.25 -3.45 114.38 104.93 3knz h ARG 76 Ca -0.12 -0.03 -0.52 0.00 -1.26 0.00 0.00 59.98 58.05 3knz h ARG 76 Cb 1.53 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 29.95 3knz h ARG 76 CO 0.14 0.59 0.50 0.45 0.56 0.00 0.00 179.97 182.21 3knz s SER 77 N -6.88 5.65 0.70 7.04 0.15 -0.65 -5.02 113.70 114.70 3knz s SER 77 Ca -0.02 2.42 -0.11 0.00 0.70 0.00 0.00 55.95 58.94 3knz s SER 77 Cb 0.13 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 3knz s SER 77 CO 0.76 -1.28 1.06 -0.83 1.20 0.00 0.00 173.24 174.15 3knz s GLY 78 N -1.38 1.66 0.14 9.45 0.00 -1.26 -4.92 107.32 111.01 3knz s GLY 78 Ca 0.70 0.03 -0.34 0.00 0.00 0.00 0.00 44.72 45.11 3knz s GLY 78 CO 0.36 0.34 1.21 1.17 0.00 0.00 0.00 173.10 176.18 3knz n LYS 79 N -3.11 1.11 -4.01 2.90 4.81 -1.26 -4.82 118.16 113.77 3knz n LYS 79 Ca 0.07 0.40 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 3knz n LYS 79 Cb 0.54 -1.93 -0.08 0.00 0.02 0.00 0.00 35.03 33.58 3knz n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knz s ALA 80 N 0.01 0.27 -0.35 3.14 0.00 -1.26 -0.41 121.76 123.16 3knz s ALA 80 Ca 0.77 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 3knz s ALA 80 Cb -0.90 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3knz s ALA 80 CO 0.51 -0.57 0.30 -1.17 0.00 0.00 0.00 175.76 174.83 3knz s LEU 81 N -2.98 4.54 -0.38 0.00 2.96 -0.52 -1.60 118.68 120.71 3knz s LEU 81 Ca 0.18 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.53 3knz s LEU 81 Cb 0.05 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3knz s LEU 81 CO -0.01 -0.31 0.42 -0.69 -1.32 0.00 0.00 176.35 174.45 3knz s VAL 82 N 1.86 5.10 -0.38 1.68 1.01 0.48 -0.47 120.40 129.68 3knz s VAL 82 Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 3knz s VAL 82 Cb -0.17 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.27 3knz s VAL 82 CO 0.11 -0.27 0.26 -0.69 0.00 0.00 0.00 175.10 174.51 3knz s VAL 83 N 2.15 5.09 -0.12 2.92 1.01 0.86 -1.53 120.40 130.77 3knz s VAL 83 Ca 0.13 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3knz s VAL 83 Cb -0.17 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3knz s VAL 83 CO 0.13 -0.19 0.75 -0.83 0.00 0.00 0.00 175.10 174.95 3knz s GLY 84 N 1.66 2.36 -0.01 4.51 0.00 -0.38 -0.79 107.32 114.67 3knz s GLY 84 Ca 0.05 0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.90 3knz s GLY 84 CO 0.09 1.40 -0.26 -0.42 0.00 0.00 0.00 173.10 173.91 3knz s ILE 85 N 1.47 2.06 -0.17 0.90 1.01 0.06 -4.39 121.20 122.14 3knz s ILE 85 Ca 0.37 -1.14 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 3knz s ILE 85 Cb -0.17 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.63 3knz s ILE 85 CO 0.15 0.55 0.44 -0.55 0.00 0.00 0.00 174.94 175.54 3knz s SER 86 N -0.69 -0.46 0.44 3.58 0.15 -1.26 -4.50 113.70 110.97 3knz s SER 86 Ca 0.10 0.89 0.24 0.00 0.70 0.00 0.00 55.95 57.88 3knz s SER 86 Cb -0.10 0.89 0.87 0.00 -1.71 0.00 0.00 66.02 65.97 3knz s SER 86 CO -0.01 -0.15 1.80 1.56 1.20 0.00 0.00 173.24 177.64 3knz h GLN 87 N 5.50 0.00 0.00 5.44 1.08 -1.94 -1.84 115.11 123.36 3knz h GLN 87 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 3knz h GLN 87 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3knz h GLN 87 CO 0.23 0.20 0.00 0.41 -0.95 0.00 0.00 178.83 178.72 3knz n GLY 88 N 0.29 3.44 0.30 3.46 0.00 -1.26 -3.74 105.19 107.68 3knz n GLY 88 Ca 0.01 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.47 3knz n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knz n GLY 89 N 5.00 -0.46 0.00 -0.02 0.00 -1.26 -2.11 105.19 106.33 3knz n GLY 89 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3knz n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knz n GLY 90 N 1.26 2.99 3.95 -0.02 0.00 -1.26 0.05 105.19 112.16 3knz n GLY 90 Ca 0.15 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 3knz n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3knz s SER 91 N 0.00 6.27 0.20 1.61 1.04 -1.26 -4.83 113.70 116.74 3knz s SER 91 Ca 0.00 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 3knz s SER 91 Cb 0.00 -1.95 0.14 0.00 0.10 0.00 0.00 66.02 64.32 3knz s SER 91 CO 0.00 -0.26 1.84 -0.07 0.98 0.00 0.00 173.24 175.73 3knz h LEU 92 N 0.85 0.89 -0.41 2.42 3.38 -1.99 -1.53 115.31 118.92 3knz h LEU 92 Ca -0.50 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.43 3knz h LEU 92 Cb 1.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3knz h LEU 92 CO 0.61 0.70 0.22 0.28 0.09 0.00 0.00 178.44 180.33 3knz h SER 93 N 1.01 0.34 -0.28 -0.43 0.02 -1.99 0.29 113.55 112.51 3knz h SER 93 Ca 0.26 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.14 3knz h SER 93 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3knz h SER 93 CO -0.05 0.24 -0.18 0.74 -1.14 0.00 0.00 176.83 176.44 3knz h THR 94 N 0.45 1.30 -0.26 -2.27 2.02 -1.90 -1.02 112.91 111.23 3knz h THR 94 Ca 0.17 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.09 3knz h THR 94 Cb 0.06 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3knz h THR 94 CO -0.11 0.41 0.03 0.25 0.37 0.00 0.00 175.52 176.48 3knz h LEU 95 N 0.36 -0.04 -0.18 2.58 5.85 -0.87 -2.78 115.31 120.22 3knz h LEU 95 Ca 0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3knz h LEU 95 Cb 0.71 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3knz h LEU 95 CO 0.05 0.01 0.06 0.00 -0.34 0.00 0.00 178.44 178.22 3knz h ALA 96 N 1.21 0.19 0.00 1.25 0.00 -0.30 -1.28 119.26 120.33 3knz h ALA 96 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3knz h ALA 96 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3knz h ALA 96 CO -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.69 3knz n ALA 97 N -2.22 1.09 0.00 0.00 0.00 -0.40 -1.23 120.51 117.75 3knz n ALA 97 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3knz n ALA 97 Cb 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3knz n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knz n GLU 99 N 0.70 0.00 -0.22 0.00 1.02 -0.48 -1.34 120.64 120.32 3knz n GLU 99 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3knz n GLU 99 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 3knz n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knz h ARG 100 N 0.00 0.87 -0.75 3.49 3.08 -1.44 -0.78 114.38 118.85 3knz h ARG 100 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3knz h ARG 100 Cb 0.00 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3knz h ARG 100 CO 0.00 0.68 0.48 0.00 -1.07 0.00 0.00 179.97 180.06 3knz h ALA 101 N 1.14 0.95 -0.54 0.04 0.00 -1.47 -2.87 119.26 116.51 3knz h ALA 101 Ca 0.21 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3knz h ALA 101 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3knz h ALA 101 CO -0.03 0.38 -0.12 -0.09 0.00 0.00 0.00 179.25 179.40 3knz h ARG 102 N 1.02 1.03 -0.62 0.00 2.43 -1.66 -2.01 114.38 114.57 3knz h ARG 102 Ca 0.27 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3knz h ARG 102 Cb -0.09 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3knz h ARG 102 CO -0.06 1.07 0.33 -0.91 -1.51 0.00 0.00 179.97 178.90 3knz h ASN 103 N 0.91 0.77 1.65 -3.80 2.35 -0.94 -2.66 115.58 113.86 3knz h ASN 103 Ca 0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3knz h ASN 103 Cb 0.69 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3knz h ASN 103 CO 0.05 0.63 -0.03 0.58 -1.65 0.00 0.00 177.43 177.01 3knz h VAL 104 N 0.87 0.00 0.00 2.81 2.07 -1.39 -3.48 116.25 117.13 3knz h VAL 104 Ca 0.22 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3knz h VAL 104 Cb 0.04 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3knz h VAL 104 CO -0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.17 3knz n GLY 105 N 1.23 1.11 3.78 2.17 0.00 -1.00 -5.07 105.19 107.42 3knz n GLY 105 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3knz n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3knz s HIS 106 N -2.00 2.74 0.08 1.61 3.76 -0.78 -4.91 115.29 115.79 3knz s HIS 106 Ca 0.00 1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 56.23 3knz s HIS 106 Cb 0.00 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 30.62 3knz s HIS 106 CO 0.00 -1.65 0.51 0.42 -0.85 0.00 0.00 174.74 173.16 3knz s ILE 107 N -2.96 4.88 0.08 0.60 1.09 -0.62 -4.39 121.20 119.87 3knz s ILE 107 Ca 0.60 0.94 0.09 0.00 -1.10 0.00 0.00 60.65 61.19 3knz s ILE 107 Cb -0.16 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.43 3knz s ILE 107 CO 0.56 0.45 -0.25 0.42 -0.10 0.00 0.00 174.94 176.01 3knz s THR 108 N -1.23 2.05 0.03 2.92 -4.23 -1.26 -0.39 115.64 113.53 3knz s THR 108 Ca 0.31 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3knz s THR 108 Cb -0.17 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3knz s THR 108 CO 0.17 0.19 -0.04 0.00 -0.54 0.00 0.00 174.62 174.40 3knz s ALA 109 N -0.94 0.28 0.00 3.99 0.00 -0.58 -0.81 121.76 123.69 3knz s ALA 109 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3knz s ALA 109 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3knz s ALA 109 CO 0.04 -0.16 0.00 -1.13 0.00 0.00 0.00 175.76 174.50 3knz n SER 110 N 1.34 1.54 0.00 0.00 3.41 -0.60 -1.25 113.62 118.06 3knz n SER 110 Ca -0.22 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3knz n SER 110 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3knz n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knz n ALA 112 N -3.00 0.00 1.62 7.33 0.00 -1.26 0.05 120.51 125.24 3knz n ALA 112 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3knz n ALA 112 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 3knz n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knz n GLY 113 N -1.19 -0.25 3.15 0.00 0.00 -0.69 -1.24 105.19 104.98 3knz n GLY 113 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 3knz n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knz s VAL 114 N -1.98 0.17 -0.05 1.61 -7.23 -1.25 -4.54 120.40 107.12 3knz s VAL 114 Ca 0.40 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 3knz s VAL 114 Cb 0.21 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.70 3knz s VAL 114 CO 0.34 -0.79 0.11 0.00 -0.31 0.00 0.00 175.10 174.45 3knz s ALA 115 N -3.90 -0.19 0.21 1.32 0.00 -1.26 -3.66 121.76 114.28 3knz s ALA 115 Ca 0.07 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 3knz s ALA 115 Cb 0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 3knz s ALA 115 CO -0.09 -0.13 1.05 -1.25 0.00 0.00 0.00 175.76 175.34 3knz s PRO 116 N 0.95 4.68 0.15 0.00 0.04 -1.26 -5.18 135.00 134.37 3knz s PRO 116 Ca -0.07 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.69 3knz s PRO 116 Cb -0.10 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3knz s PRO 116 CO -0.04 0.23 0.03 0.00 0.04 0.00 0.00 177.00 177.26 3knz s ALA 117 N -0.68 3.31 0.22 8.56 0.00 -1.24 -5.00 121.76 126.94 3knz s ALA 117 Ca 0.46 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 3knz s ALA 117 Cb -0.29 -1.13 0.19 0.00 0.00 0.00 0.00 23.12 21.89 3knz s ALA 117 CO 0.35 0.54 1.89 1.15 0.00 0.00 0.00 175.76 179.70 3knz h THR 118 N 2.45 1.21 0.00 0.00 2.02 -0.72 -0.91 112.91 116.96 3knz h THR 118 Ca -0.47 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3knz h THR 118 Cb 1.19 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3knz h THR 118 CO 0.60 0.20 0.00 2.30 0.37 0.00 0.00 175.52 178.99 3knz n ILE 119 N -4.51 1.09 0.30 3.11 -5.35 -0.80 -2.25 119.36 110.95 3knz n ILE 119 Ca 0.09 0.30 0.19 0.00 -0.27 0.00 0.00 62.75 63.06 3knz n ILE 119 Cb 0.02 -1.15 0.88 0.00 -1.74 0.00 0.00 39.64 37.66 3knz n ILE 119 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3knz h ASP 120 N 0.00 0.00 0.21 7.28 3.32 -1.44 -2.63 116.42 123.16 3knz h ASP 120 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3knz h ASP 120 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3knz h ASP 120 CO 0.00 0.00 -0.23 0.03 -1.72 0.00 0.00 179.24 177.32 3knz h ARG 121 N 0.00 0.05 -0.38 3.56 3.08 -1.61 -2.86 114.38 116.23 3knz h ARG 121 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3knz h ARG 121 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3knz h ARG 121 CO 0.00 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3knz n ALA 122 N -2.49 3.09 -2.96 0.04 0.00 -0.99 -4.97 120.51 112.22 3knz n ALA 122 Ca -0.02 -2.01 -0.35 0.00 0.00 0.00 0.00 53.44 51.06 3knz n ALA 122 Cb 0.30 -0.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 3knz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knz s ALA 123 N -2.48 3.21 0.01 0.00 0.00 -1.08 -4.72 121.76 116.70 3knz s ALA 123 Ca 0.43 -0.95 0.22 0.00 0.00 0.00 0.00 51.96 51.66 3knz s ALA 123 Cb 0.33 -1.93 0.68 0.00 0.00 0.00 0.00 23.12 22.20 3knz s ALA 123 CO 0.13 -0.15 1.72 -0.44 0.00 0.00 0.00 175.76 177.03 3knz h ASP 124 N 7.46 0.00 -2.96 0.00 3.32 -1.30 -3.42 116.42 119.52 3knz h ASP 124 Ca -0.36 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.38 3knz h ASP 124 Cb 1.18 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.37 3knz h ASP 124 CO 0.63 0.26 -0.63 -0.31 -1.72 0.00 0.00 179.24 177.46 3knz s TYR 125 N -3.45 -0.19 -0.34 4.55 2.02 -1.01 -5.02 117.35 113.90 3knz s TYR 125 Ca 0.02 0.51 -0.24 0.00 -0.37 0.00 0.00 57.07 56.98 3knz s TYR 125 Cb 0.09 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.37 3knz s TYR 125 CO 0.66 -0.36 0.84 0.42 -1.57 0.00 0.00 175.55 175.54 3knz s ILE 126 N 2.30 4.71 -0.49 2.71 1.09 -1.26 -1.55 121.20 128.70 3knz s ILE 126 Ca 0.04 1.10 0.04 0.00 -1.10 0.00 0.00 60.65 60.73 3knz s ILE 126 Cb -0.13 -4.23 0.42 0.00 -1.06 0.00 0.00 42.46 37.46 3knz s ILE 126 CO -0.07 -0.40 1.31 0.18 -0.10 0.00 0.00 174.94 175.86 3knz n LEU 127 N 6.46 5.34 -4.53 2.97 4.77 0.11 -4.90 117.00 127.21 3knz n LEU 127 Ca 0.05 -5.04 -0.50 0.00 -0.03 0.00 0.00 56.01 50.48 3knz n LEU 127 Cb 0.48 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3knz n LEU 127 CO 0.54 2.11 0.56 0.41 -1.33 0.00 0.00 177.39 179.67 3knz n THR 128 N -0.55 0.99 -2.39 -5.08 -1.04 -1.24 -4.67 114.28 100.29 3knz n THR 128 Ca 0.43 -0.25 -0.43 0.00 -2.04 0.00 0.00 64.05 61.77 3knz n THR 128 Cb 0.64 -0.55 -0.02 0.00 -1.82 0.00 0.00 70.33 68.57 3knz n THR 128 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3knz s VAL 129 N -0.34 4.13 -0.90 12.58 1.01 -0.37 -4.94 120.40 131.57 3knz s VAL 129 Ca 0.74 1.31 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 3knz s VAL 129 Cb -0.93 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 31.35 3knz s VAL 129 CO 0.54 -0.37 1.82 -2.16 0.00 0.00 0.00 175.10 174.93 3knz s PRO 130 N 4.04 2.79 -0.16 2.72 0.04 -1.26 -4.57 135.00 138.60 3knz s PRO 130 Ca 0.57 -0.38 0.15 0.00 0.04 0.00 0.00 61.00 61.39 3knz s PRO 130 Cb -0.19 -5.04 0.35 0.00 0.04 0.00 0.00 34.50 29.66 3knz s PRO 130 CO 0.21 -3.05 1.18 0.00 0.04 0.00 0.00 177.00 175.39 3knz n GLY 132 N -1.24 0.00 2.35 0.00 0.00 -1.26 -5.11 105.19 99.94 3knz n GLY 132 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3knz n GLY 132 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3knz n THR 140 N 0.00 0.00 0.22 2.61 -1.04 -1.26 -5.18 114.28 109.63 3knz n THR 140 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3knz n THR 140 Cb 0.00 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 68.91 3knz n THR 140 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3knz h LYS 141 N 0.00 0.00 -0.60 -2.82 2.10 -1.98 -3.39 116.57 109.88 3knz h LYS 141 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 3knz h LYS 141 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 3knz h LYS 141 CO 0.00 0.20 -0.27 0.41 -2.00 0.00 0.00 179.45 177.79 3knz n GLY 142 N 0.40 -1.32 0.05 0.07 0.00 -1.26 -1.01 105.19 102.12 3knz n GLY 142 Ca 0.01 0.68 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 3knz n GLY 142 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3knz h TYR 143 N 0.00 0.04 -0.00 1.61 3.20 -1.93 -0.81 116.97 119.07 3knz h TYR 143 Ca 0.17 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.06 3knz h TYR 143 Cb 0.32 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3knz h TYR 143 CO -0.55 0.16 -0.12 0.45 -1.64 0.00 0.00 178.16 176.47 3knz h HIS 144 N -0.10 -0.30 -0.87 -3.82 3.86 -1.38 -0.32 115.15 112.23 3knz h HIS 144 Ca 0.01 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3knz h HIS 144 Cb 0.14 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3knz h HIS 144 CO -0.03 -0.18 0.58 0.00 0.86 0.00 0.00 177.93 179.16 3knz h THR 146 N 1.17 1.28 0.12 0.00 2.02 -0.77 0.82 112.91 117.55 3knz h THR 146 Ca 0.32 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 3knz h THR 146 Cb -0.12 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3knz h THR 146 CO -0.07 0.42 -0.06 0.58 0.37 0.00 0.00 175.52 176.76 3knz h VAL 147 N 0.62 0.95 -1.01 3.16 2.07 -0.59 -2.16 116.25 119.30 3knz h VAL 147 Ca 0.10 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3knz h VAL 147 Cb 0.68 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3knz h VAL 147 CO 0.05 0.07 0.67 0.25 0.02 0.00 0.00 177.57 178.63 3knz h LEU 148 N -0.30 1.15 -0.77 2.57 5.85 -0.97 -2.38 115.31 120.45 3knz h LEU 148 Ca -0.02 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3knz h LEU 148 Cb 0.25 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3knz h LEU 148 CO 0.03 0.82 0.47 -1.13 -0.34 0.00 0.00 178.44 178.29 3knz h ASN 149 N 1.35 0.73 0.00 1.25 -1.24 -0.57 0.18 115.58 117.27 3knz h ASN 149 Ca 0.37 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.40 3knz h ASN 149 Cb -0.13 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.78 3knz h ASN 149 CO -0.09 0.47 0.00 0.18 -1.29 0.00 0.00 177.43 176.71 3knz n LEU 150 N -4.68 0.64 0.00 0.34 4.77 -0.83 -2.10 117.00 115.14 3knz n LEU 150 Ca 0.10 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3knz n LEU 150 Cb 0.16 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3knz n LEU 150 CO 0.31 0.12 0.00 0.18 -1.33 0.00 0.00 177.39 176.67 3knz n LEU 152 N 0.60 0.00 -0.17 2.23 4.77 0.62 -2.17 117.00 122.87 3knz n LEU 152 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3knz n LEU 152 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3knz n LEU 152 CO 0.00 0.00 0.75 0.25 -1.33 0.00 0.00 177.39 177.06 3knz h LEU 153 N 0.00 0.94 -0.56 2.23 5.85 -1.67 -1.24 115.31 120.87 3knz h LEU 153 Ca 0.00 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3knz h LEU 153 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3knz h LEU 153 CO 0.00 1.06 0.30 0.00 -0.34 0.00 0.00 178.44 179.46 3knz h ALA 154 N 0.91 0.71 -0.84 1.25 0.00 -1.73 -0.75 119.26 118.81 3knz h ALA 154 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 154 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3knz h ALA 154 CO 0.04 0.25 0.45 -0.07 0.00 0.00 0.00 179.25 179.92 3knz h LEU 155 N 0.75 1.05 -0.44 0.00 4.07 -1.82 -0.25 115.31 118.66 3knz h LEU 155 Ca 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3knz h LEU 155 Cb 0.07 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3knz h LEU 155 CO -0.03 0.84 0.22 0.00 -1.08 0.00 0.00 178.44 178.40 3knz h ALA 156 N 1.32 0.57 -0.08 1.53 0.00 -0.68 0.02 119.26 121.95 3knz h ALA 156 Ca 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3knz h ALA 156 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3knz h ALA 156 CO -0.05 0.12 0.04 0.28 0.00 0.00 0.00 179.25 179.65 3knz h VAL 157 N 0.58 1.07 -0.84 0.00 2.07 -0.76 -0.43 116.25 117.94 3knz h VAL 157 Ca 0.15 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.57 3knz h VAL 157 Cb 0.10 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3knz h VAL 157 CO -0.02 0.06 0.48 0.00 0.02 0.00 0.00 177.57 178.11 3knz h ALA 158 N 0.96 1.19 0.18 1.67 0.00 -0.84 -1.64 119.26 120.79 3knz h ALA 158 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3knz h ALA 158 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3knz h ALA 158 CO -0.00 0.12 -0.09 0.78 0.00 0.00 0.00 179.25 180.06 3knz h GLY 159 N 0.81 -0.25 0.35 0.00 0.00 -0.64 0.22 103.07 103.55 3knz h GLY 159 Ca 0.40 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.96 3knz h GLY 159 CO -0.24 -0.09 0.50 1.46 0.00 0.00 0.00 176.54 178.17 3knz h GLN 160 N -0.40 0.74 -0.35 4.80 1.08 -0.66 -0.08 115.11 120.23 3knz h GLN 160 Ca -0.02 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3knz h GLN 160 Cb 0.31 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3knz h GLN 160 CO 0.04 0.49 0.00 1.04 -0.95 0.00 0.00 178.83 179.45 3knz n GLN 161 N -4.77 1.67 -3.83 1.46 6.02 -0.65 -4.92 117.38 112.36 3knz n GLN 161 Ca 0.17 -0.87 -0.24 0.00 -0.01 0.00 0.00 57.00 56.05 3knz n GLN 161 Cb 0.39 -1.29 0.01 0.00 1.02 0.00 0.00 30.24 30.37 3knz n GLN 161 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3knz n GLN 162 N 0.19 -4.30 -0.08 -1.09 6.02 -0.05 -4.88 117.38 113.19 3knz n GLN 162 Ca 0.08 0.53 0.08 0.00 -0.01 0.00 0.00 57.00 57.68 3knz n GLN 162 Cb 0.26 -4.96 0.13 0.00 1.02 0.00 0.00 30.24 26.69 3knz n GLN 162 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3knz n ARG 163 N -4.36 1.61 -3.25 -1.09 1.74 0.03 -4.91 116.66 106.43 3knz n ARG 163 Ca -0.27 -2.43 -0.04 0.00 -0.77 0.00 0.00 57.85 54.34 3knz n ARG 163 Cb 0.66 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 3knz n ARG 163 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3knz s LEU 164 N -2.60 -1.06 0.00 0.55 2.96 -1.22 -4.91 118.68 112.40 3knz s LEU 164 Ca 0.28 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 3knz s LEU 164 Cb 0.24 1.51 0.16 0.00 0.50 0.00 0.00 46.19 48.60 3knz s LEU 164 CO 0.03 -0.31 0.97 -0.90 -1.32 0.00 0.00 176.35 174.82 3knz n ASP 165 N 5.38 0.28 -0.06 3.68 5.68 -1.26 -4.61 116.55 125.64 3knz n ASP 165 Ca 0.01 -1.48 -0.08 0.00 -0.50 0.00 0.00 54.79 52.73 3knz n ASP 165 Cb 0.51 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.75 3knz n ASP 165 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3knz h GLY 166 N -1.17 0.31 0.49 6.12 0.00 -2.02 0.93 103.07 107.74 3knz h GLY 166 Ca -0.32 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 46.97 3knz h GLY 166 CO 0.24 0.04 -0.29 -2.09 0.00 0.00 0.00 176.54 174.45 3knz h GLU 167 N 0.22 -0.48 -0.25 4.80 4.57 -1.99 0.13 114.58 121.57 3knz h GLU 167 Ca 0.11 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3knz h GLU 167 Cb 0.06 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3knz h GLU 167 CO -0.10 -0.32 0.14 1.96 -1.18 0.00 0.00 179.01 179.51 3knz h GLN 168 N -0.50 0.28 0.14 1.92 4.20 -1.90 0.11 115.11 119.35 3knz h GLN 168 Ca 0.03 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3knz h GLN 168 Cb 0.53 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 3knz h GLN 168 CO -0.17 0.19 -0.46 -0.09 -0.67 0.00 0.00 178.83 177.63 3knz h ARG 169 N 0.29 -0.68 -0.66 1.46 9.65 -0.62 -2.38 114.38 121.45 3knz h ARG 169 Ca 0.10 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3knz h ARG 169 Cb 0.00 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3knz h ARG 169 CO -0.05 -0.45 0.32 -0.09 2.80 0.00 0.00 179.97 182.50 3knz h ARG 170 N -0.70 0.93 -0.72 0.20 2.43 -0.53 -2.06 114.38 113.91 3knz h ARG 170 Ca 0.01 -0.12 0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3knz h ARG 170 Cb 0.72 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 3knz h ARG 170 CO -0.25 0.71 0.32 1.03 -1.51 0.00 0.00 179.97 180.27 3knz h SER 171 N 0.93 0.36 -0.32 -3.80 0.87 -0.43 0.33 113.55 111.49 3knz h SER 171 Ca 0.23 0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 3knz h SER 171 Cb 0.09 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3knz h SER 171 CO -0.03 0.18 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.08 3knz h LEU 172 N 0.52 0.81 -1.19 2.23 3.38 -0.92 -2.70 115.31 117.44 3knz h LEU 172 Ca 0.38 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3knz h LEU 172 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3knz h LEU 172 CO -0.33 1.11 0.05 -0.07 0.09 0.00 0.00 178.44 179.29 3knz h LEU 173 N 0.53 0.57 -0.75 1.67 3.38 -0.65 -2.49 115.31 117.57 3knz h LEU 173 Ca 0.05 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3knz h LEU 173 Cb 0.87 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3knz h LEU 173 CO 0.08 0.61 -0.31 -0.07 0.09 0.00 0.00 178.44 178.83 3knz h LEU 174 N 0.59 0.62 -1.87 1.67 3.38 -0.35 -1.08 115.31 118.27 3knz h LEU 174 Ca 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3knz h LEU 174 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3knz h LEU 174 CO 0.01 0.90 0.00 0.54 0.09 0.00 0.00 178.44 179.97 3knz n ARG 175 N -4.08 0.56 0.00 1.13 1.74 -0.94 -1.28 116.66 113.79 3knz n ARG 175 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3knz n ARG 175 Cb 0.46 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3knz n ARG 175 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3knz n GLU 177 N 0.66 0.00 -0.12 5.56 2.13 -0.41 -2.27 120.64 126.19 3knz n GLU 177 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3knz n GLU 177 Cb 0.26 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.96 3knz n GLU 177 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3knz h LYS 178 N 0.00 0.51 -0.36 5.31 3.64 -1.46 -0.69 116.57 123.52 3knz h LYS 178 Ca 0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3knz h LYS 178 Cb 0.00 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3knz h LYS 178 CO 0.00 0.44 0.19 1.15 -2.27 0.00 0.00 179.45 178.96 3knz h THR 179 N 0.44 0.99 -0.77 1.00 2.02 -1.72 -2.06 112.91 112.81 3knz h THR 179 Ca 0.12 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3knz h THR 179 Cb 0.10 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3knz h THR 179 CO -0.02 0.07 0.51 -0.26 0.37 0.00 0.00 175.52 176.19 3knz h PHE 180 N 0.38 0.97 -0.14 3.16 0.04 -1.74 -1.64 116.94 117.97 3knz h PHE 180 Ca 0.15 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.95 3knz h PHE 180 Cb 0.05 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3knz h PHE 180 CO -0.10 0.61 0.10 -0.91 -0.60 0.00 0.00 178.31 177.41 3knz h ASN 181 N 1.04 0.13 0.29 2.17 2.35 -0.70 -1.99 115.58 118.86 3knz h ASN 181 Ca 0.28 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3knz h ASN 181 Cb -0.12 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3knz h ASN 181 CO -0.06 0.09 -0.13 1.41 -1.65 0.00 0.00 177.43 177.09 3knz n HIS 182 N -4.52 0.00 -0.10 1.19 8.25 -0.65 -4.16 115.22 115.23 3knz n HIS 182 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3knz n HIS 182 Cb 0.11 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 3knz n HIS 182 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3knz h LEU 183 N 0.85 0.59 -0.93 2.41 3.38 -1.02 -3.07 115.31 117.52 3knz h LEU 183 Ca 0.00 -0.37 0.16 0.00 0.09 0.00 0.00 57.88 57.76 3knz h LEU 183 Cb 0.39 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3knz h LEU 183 CO 0.00 0.82 0.54 -0.65 0.09 0.00 0.00 178.44 179.24 3knz h PRO 184 N 0.35 0.73 -0.62 1.13 0.11 -1.74 0.21 132.00 132.17 3knz h PRO 184 Ca 0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3knz h PRO 184 Cb 0.57 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3knz h PRO 184 CO 0.03 0.48 0.24 0.00 -0.21 0.00 0.00 178.00 178.55 3knz h ALA 185 N 1.58 1.27 -0.12 -0.75 0.00 -1.82 -2.43 119.26 116.99 3knz h ALA 185 Ca 0.51 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3knz h ALA 185 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3knz h ALA 185 CO -0.35 0.54 -0.57 1.25 0.00 0.00 0.00 179.25 180.12 3knz h LEU 186 N 0.88 0.43 -0.12 0.00 5.85 -0.60 -0.97 115.31 120.78 3knz h LEU 186 Ca 0.21 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3knz h LEU 186 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3knz h LEU 186 CO -0.02 0.91 0.05 0.58 -0.34 0.00 0.00 178.44 179.62 3knz h VAL 187 N 0.29 1.15 -0.73 1.05 2.07 -0.67 0.28 116.25 119.68 3knz h VAL 187 Ca 0.00 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3knz h VAL 187 Cb 1.08 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3knz h VAL 187 CO 0.10 0.13 0.45 0.74 0.02 0.00 0.00 177.57 179.01 3knz h THR 188 N 0.05 1.21 -0.48 2.57 2.02 -1.33 -0.10 112.91 116.84 3knz h THR 188 Ca 0.04 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 3knz h THR 188 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3knz h THR 188 CO -0.00 0.21 -0.18 0.00 0.37 0.00 0.00 175.52 175.92 3knz h ALA 189 N 1.24 0.67 -0.62 6.16 0.00 -1.00 -2.89 119.26 122.81 3knz h ALA 189 Ca 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3knz h ALA 189 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3knz h ALA 189 CO -0.05 0.63 0.10 0.77 0.00 0.00 0.00 179.25 180.70 3knz h SER 190 N 0.82 0.96 -0.69 0.00 0.02 -0.05 -2.07 113.55 112.54 3knz h SER 190 Ca 0.11 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3knz h SER 190 Cb 0.75 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3knz h SER 190 CO 0.06 0.96 0.21 -0.61 -1.14 0.00 0.00 176.83 176.32 3knz h GLN 191 N 0.95 1.08 -0.73 3.45 4.15 -0.99 0.18 115.11 123.20 3knz h GLN 191 Ca 0.19 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3knz h GLN 191 Cb 0.41 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3knz h GLN 191 CO 0.01 0.93 0.27 0.00 -1.93 0.00 0.00 178.83 178.12 3knz h ALA 192 N 1.10 1.11 -0.24 3.38 0.00 -1.28 -1.80 119.26 121.52 3knz h ALA 192 Ca 0.22 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3knz h ALA 192 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3knz h ALA 192 CO -0.01 0.63 -0.64 2.35 0.00 0.00 0.00 179.25 181.59 3knz h TRP 193 N 1.07 1.09 -0.68 0.00 7.01 -1.01 -2.30 115.95 121.13 3knz h TRP 193 Ca 0.24 -0.42 -0.06 0.00 2.11 0.00 0.00 58.89 60.76 3knz h TRP 193 Cb 0.23 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 3knz h TRP 193 CO 0.02 1.26 0.17 0.00 -2.79 0.00 0.00 178.44 177.10 3knz h ALA 194 N 0.64 1.03 -0.19 2.65 0.00 -0.47 -2.24 119.26 120.68 3knz h ALA 194 Ca -0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3knz h ALA 194 Cb 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3knz h ALA 194 CO 0.14 0.64 -0.38 1.96 0.00 0.00 0.00 179.25 181.61 3knz h GLN 195 N 1.02 0.59 0.00 0.00 4.20 -1.32 -0.63 115.11 118.97 3knz h GLN 195 Ca 0.22 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.56 3knz h GLN 195 Cb 0.34 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3knz h GLN 195 CO -0.00 1.00 -0.10 1.15 -0.67 0.00 0.00 178.83 180.21 3knz h THR 196 N 0.25 0.75 -0.30 -0.54 2.02 -1.36 -2.98 112.91 110.76 3knz h THR 196 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3knz h THR 196 Cb 0.98 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3knz h THR 196 CO 0.08 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.56 3knz n ASN 197 N -5.22 1.85 0.10 4.18 3.02 -0.85 -4.49 115.26 113.85 3knz n ASN 197 Ca -0.06 -1.91 -0.12 0.00 -0.03 0.00 0.00 54.58 52.47 3knz n ASN 197 Cb 0.15 -0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 3knz n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knz h ALA 198 N 3.79 -0.35 0.14 5.41 0.00 -0.94 -2.48 119.26 124.83 3knz h ALA 198 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3knz h ALA 198 Cb 0.49 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3knz h ALA 198 CO 0.00 -0.74 -0.37 -0.07 0.00 0.00 0.00 179.25 178.07 3knz h LEU 199 N -0.39 -1.10 -0.87 0.00 3.38 -1.81 -1.62 115.31 112.90 3knz h LEU 199 Ca 0.03 0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.29 3knz h LEU 199 Cb 0.43 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 3knz h LEU 199 CO -0.14 -0.41 0.42 0.00 0.09 0.00 0.00 178.44 178.40 3knz h ALA 200 N -0.91 1.34 -0.58 1.53 0.00 -1.87 -1.49 119.26 117.29 3knz h ALA 200 Ca -0.01 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3knz h ALA 200 Cb 0.55 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3knz h ALA 200 CO -0.17 -0.20 -0.05 -0.07 0.00 0.00 0.00 179.25 178.76 3knz h LEU 201 N 0.53 1.05 -0.80 0.00 3.38 -1.15 -3.09 115.31 115.22 3knz h LEU 201 Ca 0.50 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3knz h LEU 201 Cb 0.82 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3knz h LEU 201 CO -0.43 1.12 0.32 0.03 0.09 0.00 0.00 178.44 179.57 3knz h ARG 202 N 0.95 1.19 0.00 1.13 3.08 -0.30 -2.31 114.38 118.12 3knz h ARG 202 Ca 0.16 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3knz h ARG 202 Cb 0.62 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3knz h ARG 202 CO 0.04 0.96 0.00 -0.40 -1.07 0.00 0.00 179.97 179.50 3knz n ASP 203 N -4.28 0.00 -4.80 7.04 5.75 -0.86 -4.75 116.55 114.65 3knz n ASP 203 Ca 0.07 -0.03 -0.35 0.00 -0.01 0.00 0.00 54.79 54.46 3knz n ASP 203 Cb 0.18 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3knz n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3knz s SER 204 N -2.40 7.13 -0.02 -1.12 0.01 -0.87 -4.99 113.70 111.45 3knz s SER 204 Ca 0.13 1.67 -0.25 0.00 1.31 0.00 0.00 55.95 58.81 3knz s SER 204 Cb 0.08 -2.52 -0.20 0.00 0.21 0.00 0.00 66.02 63.59 3knz s SER 204 CO 0.17 -0.14 1.28 0.00 0.41 0.00 0.00 173.24 174.95 3knz h ALA 205 N 2.80 0.02 -2.76 1.44 0.00 -1.69 -3.47 119.26 115.59 3knz h ALA 205 Ca -0.48 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 53.96 3knz h ALA 205 Cb 1.19 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3knz h ALA 205 CO 0.64 -0.22 -0.38 0.16 0.00 0.00 0.00 179.25 179.45 3knz s ASP 206 N -5.73 0.41 -0.02 0.00 1.47 -1.25 -4.48 116.67 107.06 3knz s ASP 206 Ca -0.16 -1.32 0.03 0.00 1.18 0.00 0.00 52.55 52.28 3knz s ASP 206 Cb 0.02 0.52 -0.00 0.00 -0.34 0.00 0.00 42.92 43.11 3knz s ASP 206 CO 0.68 -1.04 -0.11 -0.63 0.68 0.00 0.00 175.17 174.75 3knz s ILE 207 N -3.82 0.93 -0.15 2.11 1.01 -0.60 -1.89 121.20 118.79 3knz s ILE 207 Ca 0.33 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3knz s ILE 207 Cb 0.03 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.71 3knz s ILE 207 CO 0.15 0.28 -0.20 -0.13 0.00 0.00 0.00 174.94 175.04 3knz s ARG 208 N 0.01 2.81 -0.11 2.79 1.81 0.08 -2.06 118.95 124.28 3knz s ARG 208 Ca -0.01 -0.77 -0.05 0.00 -1.72 0.00 0.00 55.73 53.19 3knz s ARG 208 Cb -0.08 -2.36 -0.04 0.00 -0.45 0.00 0.00 34.95 32.03 3knz s ARG 208 CO 0.00 -0.11 0.06 -0.51 -0.68 0.00 0.00 175.30 174.07 3knz s LEU 209 N 1.06 3.90 0.07 2.53 1.43 0.43 -1.12 118.68 126.98 3knz s LEU 209 Ca -0.02 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3knz s LEU 209 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3knz s LEU 209 CO -0.06 0.36 0.02 0.28 0.23 0.00 0.00 176.35 177.17 3knz s THR 210 N -0.75 0.19 -0.01 5.49 -1.32 -0.51 -0.80 115.64 117.93 3knz s THR 210 Ca 0.12 -1.73 -0.29 0.00 -1.21 0.00 0.00 61.69 58.58 3knz s THR 210 Cb -0.12 -1.57 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 3knz s THR 210 CO 0.03 -0.87 1.28 -0.83 -2.21 0.00 0.00 174.62 172.02 3knz s GLY 211 N -2.93 -0.21 0.61 6.08 0.00 -1.14 -0.69 107.32 109.04 3knz s GLY 211 Ca 0.09 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.87 3knz s GLY 211 CO -0.08 3.87 1.10 2.56 0.00 0.00 0.00 173.10 180.55 3knz s PRO 212 N -2.13 3.06 0.44 2.90 0.04 -1.26 -0.35 135.00 137.69 3knz s PRO 212 Ca 0.25 1.41 0.30 0.00 0.04 0.00 0.00 61.00 63.00 3knz s PRO 212 Cb 0.01 -1.98 1.44 0.00 0.04 0.00 0.00 34.50 34.01 3knz s PRO 212 CO -0.02 -1.05 1.62 0.00 0.04 0.00 0.00 177.00 177.59 3knz h ALA 213 N 0.44 2.76 0.00 8.56 0.00 -1.95 0.60 119.26 129.67 3knz h ALA 213 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3knz h ALA 213 Cb 1.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3knz h ALA 213 CO 0.55 -1.40 0.00 0.25 0.00 0.00 0.00 179.25 178.66 3knz n THR 214 N -4.69 0.25 -1.86 0.00 -2.24 -1.26 -2.24 114.28 102.23 3knz n THR 214 Ca 0.38 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 62.26 3knz n THR 214 Cb 1.45 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 3knz n THR 214 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3knz n LEU 215 N -1.10 1.38 -0.15 3.22 4.77 0.21 -4.85 117.00 120.48 3knz n LEU 215 Ca 0.08 -2.37 -0.08 0.00 -0.03 0.00 0.00 56.01 53.61 3knz n LEU 215 Cb 0.06 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3knz n LEU 215 CO 0.08 0.67 1.02 0.15 -1.33 0.00 0.00 177.39 177.98 3knz h PHE 216 N 0.51 0.59 -0.56 -1.77 3.57 -1.48 -1.81 116.94 116.00 3knz h PHE 216 Ca -0.07 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3knz h PHE 216 Cb 1.37 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 3knz h PHE 216 CO 0.25 0.43 0.37 0.78 -2.23 0.00 0.00 178.31 177.90 3knz h GLY 217 N 0.58 0.79 0.70 2.40 0.00 -1.85 -1.30 103.07 104.39 3knz h GLY 217 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3knz h GLY 217 CO -0.03 0.29 -0.00 -0.84 0.00 0.00 0.00 176.54 175.96 3knz h THR 218 N 0.76 1.26 0.00 4.70 2.02 -1.68 -0.95 112.91 119.02 3knz h THR 218 Ca 0.21 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 3knz h THR 218 Cb -0.09 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3knz h THR 218 CO -0.04 0.20 -0.44 -0.37 0.37 0.00 0.00 175.52 175.24 3knz h VAL 219 N -0.27 1.19 -0.23 3.16 -1.51 -1.18 0.22 116.25 117.64 3knz h VAL 219 Ca 0.01 -1.56 -0.10 0.00 -1.23 0.00 0.00 66.70 63.81 3knz h VAL 219 Cb 0.33 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3knz h VAL 219 CO 0.00 0.43 -0.26 1.56 -1.23 0.00 0.00 177.57 178.07 3knz h GLN 220 N 0.00 0.58 -0.19 5.19 1.08 -1.12 0.13 115.11 120.78 3knz h GLN 220 Ca -0.00 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 56.83 3knz h GLN 220 Cb 0.84 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3knz h GLN 220 CO 0.06 0.92 -0.05 1.49 -0.95 0.00 0.00 178.83 180.29 3knz h GLU 221 N 0.28 0.38 -0.57 1.46 4.57 -1.01 -2.03 114.58 117.65 3knz h GLU 221 Ca 0.03 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.16 3knz h GLU 221 Cb 0.82 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.32 3knz h GLU 221 CO 0.06 0.64 0.17 0.78 -1.18 0.00 0.00 179.01 179.49 3knz h GLY 222 N 0.09 0.76 0.96 1.92 0.00 -0.49 -0.94 103.07 105.38 3knz h GLY 222 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3knz h GLY 222 CO 0.02 -0.05 0.18 0.00 0.00 0.00 0.00 176.54 176.69 3knz h ALA 223 N 1.42 0.59 -0.48 3.60 0.00 -0.66 -3.16 119.26 120.57 3knz h ALA 223 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3knz h ALA 223 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3knz h ALA 223 CO -0.32 0.20 0.25 1.25 0.00 0.00 0.00 179.25 180.63 3knz h LEU 224 N 0.59 0.62 -1.57 0.00 5.85 -0.60 0.15 115.31 120.35 3knz h LEU 224 Ca 0.15 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3knz h LEU 224 Cb 0.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3knz h LEU 224 CO -0.01 0.54 0.00 0.29 -0.34 0.00 0.00 178.44 178.92 3knz n LYS 225 N -4.65 0.46 0.00 1.25 4.76 -0.43 -0.71 118.16 118.84 3knz n LYS 225 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3knz n LYS 225 Cb 0.09 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 3knz n LYS 225 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3knz n LEU 227 N 0.56 0.00 -0.15 -0.35 7.94 0.53 -0.67 117.00 124.87 3knz n LEU 227 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3knz n LEU 227 Cb 0.18 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.12 3knz n LEU 227 CO 0.00 0.00 0.75 -0.08 -1.11 0.00 0.00 177.39 176.95 3knz h GLU 228 N 0.00 0.78 0.14 1.96 4.81 -1.16 -2.20 114.58 118.92 3knz h GLU 228 Ca 0.00 -0.28 -0.29 0.00 -0.13 0.00 0.00 59.36 58.66 3knz h GLU 228 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3knz h GLU 228 CO 0.00 0.88 -1.47 1.15 -0.73 0.00 0.00 179.01 178.84 3knz h THR 229 N 0.61 1.04 0.00 0.32 2.02 -1.15 -3.38 112.91 112.38 3knz h THR 229 Ca 0.11 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.85 3knz h THR 229 Cb 0.57 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3knz h THR 229 CO 0.03 0.75 -0.55 0.18 0.37 0.00 0.00 175.52 176.30 3knz n LEU 230 N -3.84 0.70 -1.35 2.58 4.77 -1.25 -4.96 117.00 113.64 3knz n LEU 230 Ca -0.24 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 3knz n LEU 230 Cb 0.95 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3knz n LEU 230 CO 0.45 -0.06 -0.16 0.54 -1.33 0.00 0.00 177.39 176.82 3knz n ARG 231 N -2.11 -1.15 -4.43 3.23 5.12 -0.83 -5.01 116.66 111.49 3knz n ARG 231 Ca 0.04 1.01 -0.21 0.00 -1.93 0.00 0.00 57.85 56.75 3knz n ARG 231 Cb 0.43 -5.23 -0.10 0.00 -1.16 0.00 0.00 32.46 26.40 3knz n ARG 231 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knz s PRO 233 N -3.72 4.22 -0.14 0.00 0.02 -1.26 -4.41 135.00 129.70 3knz s PRO 233 Ca 0.29 2.40 -0.08 0.00 0.02 0.00 0.00 61.00 63.64 3knz s PRO 233 Cb 0.03 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.53 3knz s PRO 233 CO 0.12 -0.49 0.34 0.08 -0.33 0.00 0.00 177.00 176.72 3knz s VAL 234 N -0.03 -0.04 0.04 3.83 1.01 -1.26 -1.56 120.40 122.40 3knz s VAL 234 Ca 0.60 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.73 3knz s VAL 234 Cb -0.44 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3knz s VAL 234 CO 0.45 0.05 -0.10 -0.44 0.00 0.00 0.00 175.10 175.06 3knz s SER 235 N 1.36 1.11 -0.10 3.32 0.01 -0.88 -4.67 113.70 113.85 3knz s SER 235 Ca -0.09 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.69 3knz s SER 235 Cb -0.09 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3knz s SER 235 CO -0.11 -0.12 -0.18 -0.83 0.41 0.00 0.00 173.24 172.41 3knz s GLY 236 N -1.40 1.44 0.09 3.44 0.00 -1.26 -0.43 107.32 109.19 3knz s GLY 236 Ca -0.06 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.79 3knz s GLY 236 CO 0.01 -0.35 -0.18 -0.19 0.00 0.00 0.00 173.10 172.39 3knz s TYR 237 N 0.18 1.53 0.30 1.90 1.51 0.02 -4.74 117.35 118.05 3knz s TYR 237 Ca -0.11 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.23 3knz s TYR 237 Cb -0.16 -0.85 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 3knz s TYR 237 CO 0.06 0.14 1.11 -2.00 -1.11 0.00 0.00 175.55 173.74 3knz s GLU 238 N -1.82 4.54 0.12 -0.62 -6.30 -1.26 -2.90 118.70 110.47 3knz s GLU 238 Ca 0.03 1.79 -0.31 0.00 -2.50 0.00 0.00 54.97 53.98 3knz s GLU 238 Cb -0.10 -3.08 -0.10 0.00 0.00 0.00 0.00 34.13 30.85 3knz s GLU 238 CO 0.03 0.13 1.51 0.35 0.02 0.00 0.00 175.26 177.30 3knz h PHE 239 N 3.58 -1.59 -0.22 5.30 3.57 -1.01 -1.32 116.94 125.25 3knz h PHE 239 Ca -0.47 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 3knz h PHE 239 Cb 1.21 0.75 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3knz h PHE 239 CO 0.58 -0.45 0.09 0.93 -2.23 0.00 0.00 178.31 177.23 3knz h GLU 240 N -0.36 0.30 -0.59 1.11 4.39 -1.93 -0.53 114.58 116.98 3knz h GLU 240 Ca 0.07 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3knz h GLU 240 Cb 0.55 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3knz h GLU 240 CO -0.56 0.26 -0.04 0.93 -1.16 0.00 0.00 179.01 178.44 3knz h GLU 241 N 0.30 1.06 -0.48 2.33 4.39 -1.79 -2.08 114.58 118.31 3knz h GLU 241 Ca 0.08 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3knz h GLU 241 Cb 0.07 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3knz h GLU 241 CO -0.01 1.05 0.30 0.35 -1.16 0.00 0.00 179.01 179.55 3knz h PHE 242 N 0.96 0.63 -0.32 4.33 3.57 -0.01 -1.45 116.94 124.64 3knz h PHE 242 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3knz h PHE 242 Cb 0.60 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3knz h PHE 242 CO 0.04 0.42 0.13 0.82 -2.23 0.00 0.00 178.31 177.49 3knz h ILE 243 N 0.65 1.18 -0.73 1.41 1.08 -1.23 0.26 117.51 120.12 3knz h ILE 243 Ca 0.18 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 3knz h ILE 243 Cb -0.03 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 3knz h ILE 243 CO -0.03 0.19 0.43 -0.74 -0.69 0.00 0.00 178.15 177.31 3knz h HIS 244 N 0.36 0.80 -0.61 1.37 2.76 -1.11 -2.42 115.15 116.30 3knz h HIS 244 Ca 0.11 0.03 -0.39 0.00 -2.20 0.00 0.00 60.37 57.91 3knz h HIS 244 Cb 0.18 -0.25 -0.24 0.00 1.55 0.00 0.00 27.41 28.65 3knz h HIS 244 CO -0.01 0.40 -0.07 0.41 -1.30 0.00 0.00 177.93 177.36 3knz n GLY 245 N -1.30 5.48 0.29 5.26 0.00 -0.57 -4.78 105.19 109.57 3knz n GLY 245 Ca 0.10 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.38 3knz n GLY 245 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3knz h ILE 246 N 1.32 0.64 -0.42 -0.61 6.09 0.04 -0.99 117.51 123.58 3knz h ILE 246 Ca 0.36 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 63.66 3knz h ILE 246 Cb 1.53 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.91 3knz h ILE 246 CO 0.75 0.09 0.18 0.22 -3.07 0.00 0.00 178.15 176.32 3knz h TYR 247 N 0.48 0.58 -0.01 2.19 3.20 -1.84 -0.33 116.97 121.23 3knz h TYR 247 Ca 0.46 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.31 3knz h TYR 247 Cb 0.72 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3knz h TYR 247 CO -0.14 0.44 -0.34 0.09 -1.64 0.00 0.00 178.16 176.57 3knz n ASN 248 N -4.39 1.34 -0.41 -2.11 3.02 -0.66 -4.23 115.26 107.81 3knz n ASN 248 Ca 0.03 -1.08 0.04 0.00 -0.03 0.00 0.00 54.58 53.54 3knz n ASN 248 Cb 0.13 0.26 0.07 0.00 -0.61 0.00 0.00 39.78 39.63 3knz n ASN 248 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knz n ALA 249 N -0.48 2.36 -3.64 5.41 0.00 -0.35 -4.99 120.51 118.82 3knz n ALA 249 Ca 0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 3knz n ALA 249 Cb 0.39 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 3knz n ALA 249 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3knz s PHE 250 N -0.84 -1.07 0.32 0.00 2.19 -0.28 -4.92 117.98 113.38 3knz s PHE 250 Ca 0.13 2.12 0.06 0.00 0.33 0.00 0.00 56.93 59.57 3knz s PHE 250 Cb 0.08 0.64 -0.06 0.00 -1.31 0.00 0.00 43.02 42.37 3knz s PHE 250 CO 0.12 -0.53 -0.00 0.54 1.83 0.00 0.00 175.22 177.18 3knz s ASN 251 N 1.69 2.81 0.59 6.13 2.20 -1.26 -4.73 114.94 122.37 3knz s ASN 251 Ca -0.10 -1.30 0.30 0.00 -0.94 0.00 0.00 52.86 50.83 3knz s ASN 251 Cb -0.05 -0.18 1.30 0.00 -2.00 0.00 0.00 41.25 40.32 3knz s ASN 251 CO -0.20 -0.47 1.65 0.00 -2.94 0.00 0.00 177.10 175.15 3knz h ALA 252 N 2.12 2.67 -0.51 3.54 0.00 -2.00 0.11 119.26 125.20 3knz h ALA 252 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3knz h ALA 252 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3knz h ALA 252 CO 0.71 -1.29 0.00 1.04 0.00 0.00 0.00 179.25 179.71 3knz n GLN 253 N -3.60 2.59 -2.90 0.00 1.13 -1.26 -4.99 117.38 108.36 3knz n GLN 253 Ca 0.18 -2.34 -0.30 0.00 -1.94 0.00 0.00 57.00 52.60 3knz n GLN 253 Cb 1.13 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.99 3knz n GLN 253 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3knz s SER 254 N -1.12 6.50 -0.01 1.08 0.01 0.38 -1.98 113.70 118.56 3knz s SER 254 Ca 0.38 1.07 0.02 0.00 1.31 0.00 0.00 55.95 58.73 3knz s SER 254 Cb 0.21 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3knz s SER 254 CO 0.28 -0.39 -0.04 0.00 0.41 0.00 0.00 173.24 173.50 3knz s ALA 255 N -2.36 3.11 -0.14 1.44 0.00 -0.79 -4.81 121.76 118.20 3knz s ALA 255 Ca 0.50 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3knz s ALA 255 Cb -0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3knz s ALA 255 CO 0.32 0.62 -0.09 -1.17 0.00 0.00 0.00 175.76 175.44 3knz s LEU 256 N -1.36 2.93 0.32 0.00 2.96 -0.02 -0.74 118.68 122.76 3knz s LEU 256 Ca 0.17 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 3knz s LEU 256 Cb -0.11 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 3knz s LEU 256 CO 0.07 0.16 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.51 3knz s ILE 257 N 0.42 2.22 -0.13 6.68 1.01 -0.28 -0.59 121.20 130.54 3knz s ILE 257 Ca -0.07 -2.25 -0.05 0.00 0.00 0.00 0.00 60.65 58.27 3knz s ILE 257 Cb -0.15 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.87 3knz s ILE 257 CO 0.04 -0.28 0.28 -0.76 0.00 0.00 0.00 174.94 174.22 3knz s LEU 259 N -3.55 -0.22 -0.61 2.97 1.43 0.13 -1.43 118.68 117.40 3knz s LEU 259 Ca 0.31 0.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.10 3knz s LEU 259 Cb 0.00 0.77 0.24 0.00 0.03 0.00 0.00 46.19 47.24 3knz s LEU 259 CO 0.15 -0.23 0.70 0.47 0.23 0.00 0.00 176.35 177.67 3knz n ASP 260 N 5.17 3.17 -0.09 2.29 8.00 0.22 -4.40 116.55 130.91 3knz n ASP 260 Ca -0.09 -3.31 0.05 0.00 0.71 0.00 0.00 54.79 52.14 3knz n ASP 260 Cb 0.50 -0.67 0.39 0.00 -0.02 0.00 0.00 41.12 41.32 3knz n ASP 260 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3knz h PRO 261 N 4.25 0.65 -4.23 -0.24 0.13 -1.97 -3.37 132.00 127.21 3knz h PRO 261 Ca 0.18 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.15 3knz h PRO 261 Cb 0.70 -0.15 -0.15 0.00 0.13 0.00 0.00 31.00 31.53 3knz h PRO 261 CO 0.77 0.43 -0.68 1.14 -0.23 0.00 0.00 178.00 179.43 3knz s GLN 262 N -5.59 0.61 0.25 0.86 -2.07 -1.26 -4.55 119.66 107.92 3knz s GLN 262 Ca -0.09 -1.21 -0.31 0.00 -1.82 0.00 0.00 55.36 51.93 3knz s GLN 262 Cb 0.18 0.21 -0.13 0.00 -1.09 0.00 0.00 33.01 32.19 3knz s GLN 262 CO 0.75 -0.11 1.52 -2.30 -1.32 0.00 0.00 175.29 173.83 3knz n PRO 263 N 0.13 2.37 -3.53 9.60 -0.02 -1.26 -4.98 135.00 137.31 3knz n PRO 263 Ca -0.14 0.84 -0.15 0.00 -2.02 0.00 0.00 63.50 62.03 3knz n PRO 263 Cb 0.61 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3knz n PRO 263 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3knz s ASP 264 N 0.48 0.82 0.26 2.55 -1.08 -1.26 -5.05 116.67 113.39 3knz s ASP 264 Ca 0.68 0.14 -0.02 0.00 -0.52 0.00 0.00 52.55 52.83 3knz s ASP 264 Cb -0.58 0.62 0.45 0.00 -1.46 0.00 0.00 42.92 41.95 3knz s ASP 264 CO 0.47 -0.29 1.83 0.00 0.52 0.00 0.00 175.17 177.70 3knz h ALA 265 N 8.28 1.34 -0.29 3.66 0.00 -1.98 0.77 119.26 131.04 3knz h ALA 265 Ca -0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3knz h ALA 265 Cb 1.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3knz h ALA 265 CO 0.23 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 3knz h ARG 266 N 0.94 0.53 -0.53 0.00 3.08 -1.99 0.57 114.38 116.98 3knz h ARG 266 Ca 0.44 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3knz h ARG 266 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3knz h ARG 266 CO -0.24 0.70 0.08 1.96 -1.07 0.00 0.00 179.97 181.40 3knz h GLN 267 N 0.31 0.88 -0.81 0.04 4.20 -1.87 -1.72 115.11 116.14 3knz h GLN 267 Ca 0.08 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3knz h GLN 267 Cb 0.48 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 3knz h GLN 267 CO 0.02 0.87 0.52 -0.44 -0.67 0.00 0.00 178.83 179.12 3knz h ASP 268 N 0.77 0.94 -0.21 1.46 3.32 -0.73 -1.94 116.42 120.03 3knz h ASP 268 Ca 0.16 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3knz h ASP 268 Cb 0.42 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3knz h ASP 268 CO 0.01 0.70 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.13 3knz h ARG 269 N 1.10 0.37 0.11 3.56 9.65 -0.55 -1.23 114.38 127.40 3knz h ARG 269 Ca 0.29 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3knz h ARG 269 Cb -0.10 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3knz h ARG 269 CO -0.06 0.58 -0.10 1.25 2.80 0.00 0.00 179.97 184.44 3knz h LEU 270 N 0.12 -0.27 -1.23 3.80 5.85 -1.13 -1.61 115.31 120.84 3knz h LEU 270 Ca 0.06 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3knz h LEU 270 Cb 0.42 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3knz h LEU 270 CO 0.01 -0.16 0.57 0.00 -0.34 0.00 0.00 178.44 178.52 3knz h ALA 271 N 0.64 1.69 0.28 1.25 0.00 -1.31 0.69 119.26 122.51 3knz h ALA 271 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3knz h ALA 271 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3knz h ALA 271 CO -0.03 0.11 -0.13 0.37 0.00 0.00 0.00 179.25 179.57 3knz h GLN 272 N 0.82 -0.36 -0.28 0.00 4.15 -0.63 0.03 115.11 118.84 3knz h GLN 272 Ca 0.42 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.78 3knz h GLN 272 Cb 0.50 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3knz h GLN 272 CO -0.19 -0.09 -0.15 0.82 -1.93 0.00 0.00 178.83 177.29 3knz h ILE 273 N -0.60 1.30 0.00 2.39 1.08 -0.98 -2.79 117.51 117.92 3knz h ILE 273 Ca -0.04 -1.26 -0.04 0.00 -0.39 0.00 0.00 64.86 63.13 3knz h ILE 273 Cb 0.43 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 3knz h ILE 273 CO 0.06 0.40 -0.19 0.25 -0.69 0.00 0.00 178.15 177.98 3knz h LEU 274 N 0.34 0.00 -1.81 1.44 5.85 -0.92 -0.48 115.31 119.72 3knz h LEU 274 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3knz h LEU 274 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3knz h LEU 274 CO 0.04 0.19 -0.12 1.23 -0.34 0.00 0.00 178.44 179.44 3knz h GLY 275 N 0.61 0.00 2.00 3.75 0.00 -0.70 -0.02 103.07 108.71 3knz h GLY 275 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knz h GLY 275 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 3knz n GLU 276 N -3.51 0.12 -0.04 4.80 1.02 -0.19 -3.81 120.64 119.04 3knz n GLU 276 Ca -0.01 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.21 3knz n GLU 276 Cb 0.26 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 3knz n GLU 276 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3knz n TRP 277 N -1.86 0.00 -3.74 -0.32 7.02 -0.54 -5.02 117.44 112.98 3knz n TRP 277 Ca 0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.41 3knz n TRP 277 Cb 0.38 -0.49 -0.10 0.00 -2.42 0.00 0.00 31.31 28.68 3knz n TRP 277 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3knz s THR 278 N -2.53 0.00 -2.30 -0.99 -1.32 -0.13 -5.02 115.64 103.35 3knz s THR 278 Ca -0.06 -0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.67 3knz s THR 278 Cb 0.05 -0.55 0.58 0.00 -1.51 0.00 0.00 72.50 71.07 3knz s THR 278 CO 0.52 -0.00 1.76 -0.81 -2.21 0.00 0.00 174.62 173.87 3knz n PRO 279 N 2.84 1.51 -1.94 7.08 -0.04 -1.26 -4.19 135.00 139.00 3knz n PRO 279 Ca -0.13 -0.75 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 3knz n PRO 279 Cb 0.57 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 3knz n PRO 279 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3knz n SER 280 N -0.07 7.63 -4.06 3.54 7.64 -1.26 -4.88 113.62 122.15 3knz n SER 280 Ca 0.18 -3.05 -0.31 0.00 1.01 0.00 0.00 58.87 56.70 3knz n SER 280 Cb 0.28 -1.41 -0.16 0.00 -1.01 0.00 0.00 64.21 61.90 3knz n SER 280 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3knz s ILE 281 N -0.36 1.77 -0.14 0.44 1.01 -1.26 -0.84 121.20 121.81 3knz s ILE 281 Ca 0.54 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3knz s ILE 281 Cb 0.17 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3knz s ILE 281 CO -0.07 0.49 -0.15 -0.31 0.00 0.00 0.00 174.94 174.90 3knz s TYR 282 N 1.36 2.16 -0.04 3.97 1.51 0.25 -4.73 117.35 121.82 3knz s TYR 282 Ca 0.04 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 54.96 3knz s TYR 282 Cb -0.13 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 3knz s TYR 282 CO -0.11 -0.63 -0.12 1.03 -1.11 0.00 0.00 175.55 174.61 3knz s ARG 283 N 1.35 2.54 -0.16 -0.62 0.52 -1.26 -4.06 118.95 117.25 3knz s ARG 283 Ca 0.02 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3knz s ARG 283 Cb -0.13 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 32.92 3knz s ARG 283 CO -0.08 0.63 -0.21 0.42 0.02 0.00 0.00 175.30 176.08 3knz s ILE 284 N -0.79 2.10 0.00 1.52 1.01 -1.26 -0.74 121.20 123.04 3knz s ILE 284 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3knz s ILE 284 Cb -0.11 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.51 3knz s ILE 284 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3knz n GLY 285 N 4.29 0.55 0.19 6.18 0.00 -0.99 0.73 105.19 116.15 3knz n GLY 285 Ca -0.20 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 44.87 3knz n GLY 285 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3knz h PRO 286 N 0.00 0.00 0.00 1.61 0.13 -1.70 -2.58 132.00 129.46 3knz h PRO 286 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3knz h PRO 286 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3knz h PRO 286 CO 0.00 0.32 -0.16 1.04 -0.23 0.00 0.00 178.00 178.97 3knz n GLN 287 N -3.38 1.03 -2.57 0.86 6.02 -1.26 -4.55 117.38 113.53 3knz n GLN 287 Ca 0.01 -2.32 -0.37 0.00 -0.01 0.00 0.00 57.00 54.30 3knz n GLN 287 Cb 0.53 -1.28 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 3knz n GLN 287 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3knz s VAL 288 N -2.29 3.75 0.23 5.09 -7.23 -1.25 -4.95 120.40 113.75 3knz s VAL 288 Ca 0.26 1.43 -0.31 0.00 -1.81 0.00 0.00 61.98 61.56 3knz s VAL 288 Cb 0.24 -3.78 -0.15 0.00 0.56 0.00 0.00 36.38 33.24 3knz s VAL 288 CO 0.01 0.10 1.13 1.21 -0.31 0.00 0.00 175.10 177.23 3knz n GLU 289 N 0.26 1.33 -1.58 4.82 4.07 -1.26 -4.72 120.64 123.56 3knz n GLU 289 Ca 0.03 0.47 -0.31 0.00 -0.06 0.00 0.00 57.16 57.30 3knz n GLU 289 Cb 0.49 -1.93 -0.05 0.00 -0.06 0.00 0.00 31.44 29.88 3knz n GLU 289 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3knz n ASN 290 N 1.73 7.10 -2.91 4.31 2.85 -1.26 -4.63 115.26 122.44 3knz n ASN 290 Ca 0.13 -3.01 -0.14 0.00 -0.11 0.00 0.00 54.58 51.44 3knz n ASN 290 Cb 0.28 -1.34 0.10 0.00 1.24 0.00 0.00 39.78 40.06 3knz n ASN 290 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3knz n ASN 291 N 1.70 -0.09 0.10 1.20 0.23 -1.26 -4.97 115.26 112.16 3knz n ASN 291 Ca 0.56 -1.19 -0.03 0.00 -0.53 0.00 0.00 54.58 53.38 3knz n ASN 291 Cb 0.46 -0.49 0.01 0.00 -2.08 0.00 0.00 39.78 37.69 3knz n ASN 291 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3knz h GLY 292 N -0.90 0.00 0.99 4.83 0.00 -2.02 -3.32 103.07 102.65 3knz h GLY 292 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3knz h GLY 292 CO 0.14 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 178.01 3knz h LEU 293 N 0.00 0.79-10.34 3.11 3.38 -1.93 -3.45 115.31 106.87 3knz h LEU 293 Ca -0.01 -0.35 -0.50 0.00 0.09 0.00 0.00 57.88 57.11 3knz h LEU 293 Cb 1.47 -0.22 0.05 0.00 0.09 0.00 0.00 40.66 42.06 3knz h LEU 293 CO 0.10 0.96 0.34 0.20 0.09 0.00 0.00 178.44 180.13 3knz s ASN 294 N -6.38 6.25 -0.63 -0.43 0.01 -1.25 -4.46 114.94 108.04 3knz s ASN 294 Ca -0.12 1.29 -0.06 0.00 -0.71 0.00 0.00 52.86 53.26 3knz s ASN 294 Cb 0.10 -2.41 0.16 0.00 0.41 0.00 0.00 41.25 39.52 3knz s ASN 294 CO 0.82 -0.79 0.48 -0.22 -1.51 0.00 0.00 177.10 175.88 3knz s LEU 295 N -5.04 5.64 -0.24 0.60 2.96 0.08 -4.78 118.68 117.89 3knz s LEU 295 Ca 0.53 -2.63 -0.22 0.00 -0.22 0.00 0.00 54.13 51.59 3knz s LEU 295 Cb -0.11 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3knz s LEU 295 CO 0.51 -0.47 0.73 0.21 -1.32 0.00 0.00 176.35 176.01 3knz s ASN 296 N 1.37 6.72 -0.13 3.68 3.84 -1.26 -2.34 114.94 126.83 3knz s ASN 296 Ca 0.15 0.89 -0.13 0.00 0.21 0.00 0.00 52.86 53.98 3knz s ASN 296 Cb -0.19 -2.39 0.04 0.00 -0.55 0.00 0.00 41.25 38.16 3knz s ASN 296 CO -0.04 -0.42 0.37 0.12 -2.79 0.00 0.00 177.10 174.33 3knz s PHE 297 N 2.56 -0.39 -1.26 0.43 5.36 -0.97 -5.01 117.98 118.70 3knz s PHE 297 Ca 0.31 0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 57.02 3knz s PHE 297 Cb -0.15 0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 3knz s PHE 297 CO 0.08 -0.23 1.90 -0.35 -1.46 0.00 0.00 175.22 175.17 3knz n PRO 298 N 2.67 2.65 -2.00 10.12 -0.04 -1.26 -3.20 135.00 143.94 3knz n PRO 298 Ca -0.14 -2.84 -0.38 0.00 -0.04 0.00 0.00 63.50 60.10 3knz n PRO 298 Cb 0.57 -3.44 0.01 0.00 -0.04 0.00 0.00 33.50 30.60 3knz n PRO 298 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3knz s PHE 299 N 5.39 2.63 0.47 0.54 0.08 -1.26 -4.90 117.98 120.93 3knz s PHE 299 Ca 0.56 1.42 0.15 0.00 0.12 0.00 0.00 56.93 59.18 3knz s PHE 299 Cb 0.06 -3.65 1.09 0.00 -0.57 0.00 0.00 43.02 39.95 3knz s PHE 299 CO 0.06 -2.27 2.04 0.28 -0.10 0.00 0.00 175.22 175.23 3knz h VAL 300 N 1.94 1.09 -5.62 -0.44 2.07 -1.96 -3.47 116.25 109.87 3knz h VAL 300 Ca -0.50 -0.43 -0.42 0.00 0.82 0.00 0.00 66.70 66.18 3knz h VAL 300 Cb 1.27 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 3knz h VAL 300 CO 0.60 0.12 -0.63 0.59 0.02 0.00 0.00 177.57 178.27 3knz n ASN 301 N -4.39 -4.20 -4.75 0.57 3.02 -1.26 -4.92 115.26 99.33 3knz n ASN 301 Ca -0.03 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.60 3knz n ASN 301 Cb 0.20 -3.43 -0.01 0.00 -0.61 0.00 0.00 39.78 35.92 3knz n ASN 301 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3knz s ASP 302 N -2.88 6.36 0.60 6.41 -1.08 -1.26 -4.85 116.67 119.98 3knz s ASP 302 Ca 0.47 2.96 0.33 0.00 -0.52 0.00 0.00 52.55 55.79 3knz s ASP 302 Cb -0.24 -2.64 1.94 0.00 -1.46 0.00 0.00 42.92 40.52 3knz s ASP 302 CO 0.58 -0.92 2.27 1.05 0.52 0.00 0.00 175.17 178.68 3knz h GLU 303 N 4.80 0.00 0.00 4.34 9.09 -2.02 -1.95 114.58 128.84 3knz h GLU 303 Ca -0.47 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 58.63 3knz h GLU 303 Cb 1.22 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.27 3knz h GLU 303 CO 0.79 0.01 -2.15 -0.25 0.05 0.00 0.00 179.01 177.46 3knz n ASP 304 N -3.67 1.91 -0.76 3.06 8.00 -1.26 -4.75 116.55 119.08 3knz n ASP 304 Ca -0.03 -0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.49 3knz n ASP 304 Cb 0.09 0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.41 3knz n ASP 304 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3knz n PHE 305 N -2.92 0.17 0.32 1.24 3.72 -1.18 -4.32 117.46 114.49 3knz n PHE 305 Ca -0.33 -0.12 0.21 0.00 -0.05 0.00 0.00 57.45 57.16 3knz n PHE 305 Cb 0.94 -0.00 1.05 0.00 -0.94 0.00 0.00 39.48 40.53 3knz n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knz h ALA 306 N 3.35 1.00 -0.58 4.37 0.00 -1.65 -2.10 119.26 123.65 3knz h ALA 306 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 306 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3knz h ALA 306 CO 0.00 0.00 0.40 -0.39 0.00 0.00 0.00 179.25 179.26 3knz h VAL 307 N 0.00 0.77 0.00 0.00 -1.51 -1.84 0.44 116.25 114.10 3knz h VAL 307 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3knz h VAL 307 Cb 0.13 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 3knz h VAL 307 CO 0.00 0.02 0.00 -0.26 -1.23 0.00 0.00 177.57 176.10 3knz h PHE 308 N 0.13 0.00 0.00 5.19 0.04 -1.72 -3.29 116.94 117.29 3knz h PHE 308 Ca 0.28 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.94 3knz h PHE 308 Cb 0.92 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 3knz h PHE 308 CO -0.00 0.00 -0.91 0.39 -0.60 0.00 0.00 178.31 177.19 3knz n GLU 309 N -2.53 0.50 0.24 1.51 1.02 0.14 -4.44 120.64 117.08 3knz n GLU 309 Ca 0.03 0.51 0.16 0.00 -0.02 0.00 0.00 57.16 57.84 3knz n GLU 309 Cb 0.35 -1.68 0.85 0.00 -0.02 0.00 0.00 31.44 30.94 3knz n GLU 309 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3knz h TYR 310 N -1.00 0.00 0.00 -0.32 0.05 -1.37 -0.55 116.97 113.78 3knz h TYR 310 Ca -0.16 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.46 3knz h TYR 310 Cb 0.87 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 3knz h TYR 310 CO -0.12 0.00 -0.79 0.97 -1.05 0.00 0.00 178.16 177.17 3knz h ILE 311 N 0.00 1.26 -0.15 -2.88 6.09 -1.78 -3.38 117.51 116.67 3knz h ILE 311 Ca 0.00 -2.80 0.04 0.00 -1.37 0.00 0.00 64.86 60.74 3knz h ILE 311 Cb 0.04 2.62 -0.05 0.00 0.47 0.00 0.00 36.82 39.89 3knz h ILE 311 CO 0.00 0.72 -0.17 0.40 -3.07 0.00 0.00 178.15 176.03 3knz h ILE 312 N 0.00 0.56 -0.41 2.19 2.04 -1.31 -0.73 117.51 119.85 3knz h ILE 312 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3knz h ILE 312 Cb 1.59 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3knz h ILE 312 CO 0.10 0.00 0.20 -0.65 0.00 0.00 0.00 178.15 177.80 3knz h PRO 313 N -0.20 0.56 -0.47 2.37 0.11 -1.73 -2.09 132.00 130.54 3knz h PRO 313 Ca 0.10 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 3knz h PRO 313 Cb 0.35 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3knz h PRO 313 CO -0.27 0.43 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.78 3knz h LEU 314 N 0.56 0.91 -2.59 2.35 3.38 -1.56 -2.12 115.31 116.25 3knz h LEU 314 Ca 0.14 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3knz h LEU 314 Cb 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3knz h LEU 314 CO -0.02 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.57 3knz n GLN 315 N -4.24 0.25 0.00 1.13 6.02 -0.35 -3.15 117.38 117.04 3knz n GLN 315 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3knz n GLN 315 Cb 0.38 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.27 3knz n GLN 315 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3knz n LEU 317 N 1.21 0.00 -0.24 1.08 4.77 -0.80 -2.39 117.00 120.64 3knz n LEU 317 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3knz n LEU 317 Cb 0.12 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.45 3knz n LEU 317 CO 0.00 0.00 1.25 0.00 -1.33 0.00 0.00 177.39 177.31 3knz h ALA 319 N 1.51 0.97 0.00 0.00 0.00 -1.80 -3.40 119.26 116.54 3knz h ALA 319 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3knz h ALA 319 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3knz h ALA 319 CO -0.07 0.06 -0.98 0.44 0.00 0.00 0.00 179.25 178.71 3knz n ILE 320 N -3.11 0.00 -0.17 0.00 -6.64 -1.09 -4.80 119.36 103.55 3knz n ILE 320 Ca 0.04 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.91 3knz n ILE 320 Cb 0.54 0.48 0.02 0.00 -1.44 0.00 0.00 39.64 39.23 3knz n ILE 320 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 3knz h LEU 321 N 0.00 1.03 0.00 7.28 3.38 -1.55 -3.49 115.31 121.95 3knz h LEU 321 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3knz h LEU 321 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3knz h LEU 321 CO 0.00 1.15 0.00 -0.81 0.09 0.00 0.00 178.44 178.87