#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 -0.66 1.20 -0.00 -2.02 -2.96 115.31 110.87 3knz h LEU -4 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 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 0.37 -0.43 0.22 -0.00 0.00 0.00 178.44 178.60 3knz h TYR -3 N 0.00 0.00 -0.20 0.17 5.03 -2.01 -3.20 116.97 116.76 3knz h TYR -3 Ca -0.00 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.15 3knz h TYR -3 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.02 3knz h TYR -3 CO 0.00 0.43 -0.49 0.74 -1.32 0.00 0.00 178.16 177.52 3knz h PHE -2 N 0.00 0.88 -0.62 -3.82 0.04 -1.92 -3.14 116.94 108.35 3knz h PHE -2 Ca -0.00 -0.34 0.07 0.00 2.80 0.00 0.00 57.97 60.50 3knz h PHE -2 Cb 1.06 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.01 3knz h PHE -2 CO 0.00 1.12 0.41 1.96 -0.60 0.00 0.00 178.31 181.20 3knz h GLN -1 N 0.39 0.57 -0.54 1.51 7.50 -1.60 0.12 115.11 123.06 3knz h GLN -1 Ca -0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3knz h GLN -1 Cb 1.10 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.50 3knz h GLN -1 CO 0.11 0.38 0.00 0.41 -1.50 0.00 0.00 178.83 178.23 3knz n GLY 0 N -1.48 0.80 0.83 3.46 0.00 -1.19 -2.99 105.19 104.61 3knz n GLY 0 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.19 0.00 0.09 1.61 3.02 0.42 -2.77 115.26 117.82 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 0.14 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.41 3knz n ASN 2 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3knz h GLU 3 N 0.00 0.00 -0.31 3.52 5.08 -1.77 -3.39 114.58 117.71 3knz h GLU 3 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3knz h GLU 3 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3knz h GLU 3 CO 0.00 0.00 -0.08 1.15 -1.00 0.00 0.00 179.01 179.08 3knz h THR 4 N 0.00 0.69 -0.64 1.13 2.02 -1.82 -1.25 112.91 113.05 3knz h THR 4 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3knz h THR 4 Cb 0.87 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3knz h THR 4 CO 0.00 0.00 0.25 -0.65 0.37 0.00 0.00 175.52 175.49 3knz h PRO 5 N -0.00 0.42 -0.35 6.66 0.11 -1.88 0.32 132.00 137.28 3knz h PRO 5 Ca 0.15 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 3knz h PRO 5 Cb 0.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3knz h PRO 5 CO -0.32 0.28 -0.29 1.25 -0.21 0.00 0.00 178.00 178.71 3knz h LEU 6 N 0.44 0.76 -0.95 2.35 5.85 -1.73 -0.84 115.31 121.19 3knz h LEU 6 Ca 0.33 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3knz h LEU 6 Cb 0.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3knz h LEU 6 CO -0.31 1.00 0.26 0.03 -0.34 0.00 0.00 178.44 179.07 3knz h ARG 7 N 0.62 1.02 -0.50 1.25 2.47 -0.43 -1.03 114.38 117.79 3knz h ARG 7 Ca 0.08 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 3knz h ARG 7 Cb 0.81 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3knz h ARG 7 CO 0.07 0.84 -0.10 -0.07 0.56 0.00 0.00 179.97 181.27 3knz h LEU 8 N 1.00 0.95 -0.61 3.04 3.38 -0.64 -3.09 115.31 119.35 3knz h LEU 8 Ca 0.23 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3knz h LEU 8 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3knz h LEU 8 CO -0.02 1.09 0.33 -0.07 0.09 0.00 0.00 178.44 179.86 3knz h LEU 9 N 0.81 0.77 -3.65 1.67 3.38 -0.71 -3.07 115.31 114.51 3knz h LEU 9 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3knz h LEU 9 Cb 0.66 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3knz h LEU 9 CO 0.05 0.64 0.00 -0.62 0.09 0.00 0.00 178.44 178.60 3knz n GLU 10 N -4.56 0.00 0.00 1.13 1.02 -0.43 -3.40 120.64 114.40 3knz n GLU 10 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3knz n GLU 10 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.81 0.00 -1.39 -4.62 4.77 -1.16 -3.37 117.00 113.04 3knz n LEU 12 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3knz n LEU 12 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 3knz n LEU 12 CO 0.00 0.00 0.70 0.35 -1.33 0.00 0.00 177.39 177.11 3knz n THR 13 N 0.00 2.66 -4.77 -5.08 -2.24 -1.22 -4.97 114.28 98.66 3knz n THR 13 Ca 0.00 -2.94 -0.33 0.00 -2.27 0.00 0.00 64.05 58.51 3knz n THR 13 Cb 0.00 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.34 2.87 -0.04 -0.78 -0.21 -1.22 -5.09 119.66 111.85 3knz s GLN 14 Ca 0.47 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 3knz s GLN 14 Cb 0.42 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 3knz s GLN 14 CO 0.00 0.50 0.97 0.95 -2.12 0.00 0.00 175.29 175.60 3knz s THR 15 N -0.40 4.85 -0.93 -0.19 -4.23 -1.26 -4.97 115.64 108.52 3knz s THR 15 Ca 0.05 2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 62.55 3knz s THR 15 Cb -0.12 -4.30 0.23 0.00 1.34 0.00 0.00 72.50 69.64 3knz s THR 15 CO 0.02 0.12 0.84 -0.13 -0.54 0.00 0.00 174.62 174.93 3knz s ARG 16 N 1.31 3.45 0.33 3.99 1.81 -1.26 -4.85 118.95 123.72 3knz s ARG 16 Ca 0.50 -3.23 0.02 0.00 -1.72 0.00 0.00 55.73 51.30 3knz s ARG 16 Cb -0.20 -4.08 0.57 0.00 -0.45 0.00 0.00 34.95 30.79 3knz s ARG 16 CO 0.24 -1.26 1.93 0.93 -0.68 0.00 0.00 175.30 176.47 3knz h GLU 17 N 6.20 0.77 -0.51 3.54 3.07 -2.00 -2.65 114.58 123.01 3knz h GLU 17 Ca 0.16 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3knz h GLU 17 Cb 0.83 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 3knz h GLU 17 CO 0.88 0.60 0.29 0.38 -1.40 0.00 0.00 179.01 179.77 3knz h ASP 18 N 0.77 0.62 -0.50 1.42 2.03 -1.90 -1.67 116.42 117.18 3knz h ASP 18 Ca 0.19 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.29 3knz h ASP 18 Cb 0.09 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 3knz h ASP 18 CO -0.02 0.51 -0.18 -0.07 -1.03 0.00 0.00 179.24 178.44 3knz h LEU 19 N 0.67 1.03 -0.87 0.15 3.38 -1.84 -2.52 115.31 115.31 3knz h LEU 19 Ca 0.18 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3knz h LEU 19 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3knz h LEU 19 CO -0.03 1.17 -0.02 -0.50 0.09 0.00 0.00 178.44 179.15 3knz h TRP 20 N 0.88 0.88 -0.59 1.13 4.06 -1.29 0.95 115.95 121.97 3knz h TRP 20 Ca 0.12 -0.13 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3knz h TRP 20 Cb 0.75 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.65 3knz h TRP 20 CO 0.05 0.81 0.18 0.00 -3.56 0.00 0.00 178.44 175.93 3knz h ARG 21 N 0.76 0.88 0.01 0.49 3.08 -1.20 0.24 114.38 118.64 3knz h ARG 21 Ca 0.14 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3knz h ARG 21 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3knz h ARG 21 CO 0.02 0.76 -0.00 0.00 -1.07 0.00 0.00 179.97 179.68 3knz h ALA 22 N 1.34 -0.01 -0.76 0.04 0.00 -0.95 -1.96 119.26 116.96 3knz h ALA 22 Ca 0.19 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3knz h ALA 22 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3knz h ALA 22 CO -0.01 -0.30 0.50 0.00 0.00 0.00 0.00 179.25 179.44 3knz h ALA 23 N 0.57 1.67 -0.22 0.00 0.00 -0.63 0.43 119.26 121.07 3knz h ALA 23 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3knz h ALA 23 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3knz h ALA 23 CO 0.00 0.21 -0.01 0.37 0.00 0.00 0.00 179.25 179.82 3knz h GLN 24 N 0.80 0.40 -0.62 0.00 4.15 -0.87 -2.16 115.11 116.82 3knz h GLN 24 Ca 0.33 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 3knz h GLN 24 Cb 0.25 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3knz h GLN 24 CO -0.11 0.60 0.14 0.00 -1.93 0.00 0.00 178.83 177.52 3knz h ALA 25 N 0.79 0.81 -0.13 3.38 0.00 -0.77 -1.74 119.26 121.61 3knz h ALA 25 Ca 0.06 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3knz h ALA 25 Cb 0.42 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3knz h ALA 25 CO 0.01 0.54 -0.15 1.25 0.00 0.00 0.00 179.25 180.90 3knz h LEU 26 N 0.91 -0.48 -0.13 0.00 6.46 -0.84 0.25 115.31 121.48 3knz h LEU 26 Ca 0.19 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 3knz h LEU 26 Cb 0.38 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 3knz h LEU 26 CO 0.00 -0.20 0.01 0.74 -0.62 0.00 0.00 178.44 178.37 3knz h THR 27 N -0.19 1.24 -0.01 1.05 2.02 -1.29 -2.25 112.91 113.48 3knz h THR 27 Ca 0.09 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.34 3knz h THR 27 Cb 0.33 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3knz h THR 27 CO -0.24 0.23 -0.73 -0.33 0.37 0.00 0.00 175.52 174.81 3knz h GLU 28 N -0.03 0.09 -0.73 6.66 5.08 -1.17 -3.25 114.58 121.22 3knz h GLU 28 Ca 0.04 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3knz h GLU 28 Cb 0.34 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3knz h GLU 28 CO 0.01 0.78 0.08 0.54 -1.00 0.00 0.00 179.01 179.41 3knz n ARG 29 N -3.72 3.66 -3.54 2.33 1.74 0.88 -4.95 116.66 113.07 3knz n ARG 29 Ca -0.02 -2.38 -0.20 0.00 -0.77 0.00 0.00 57.85 54.48 3knz n ARG 29 Cb 0.71 -2.06 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.28 -0.39 3.73 -0.13 0.00 -1.22 -4.98 105.19 102.49 3knz n GLY 30 Ca 0.25 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.41 4.06 -0.35 1.61 1.01 -0.85 -4.71 120.40 117.77 3knz s VAL 31 Ca 0.16 1.73 0.11 0.00 0.00 0.00 0.00 61.98 63.98 3knz s VAL 31 Cb -0.07 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 3knz s VAL 31 CO 0.75 0.28 0.40 0.35 0.00 0.00 0.00 175.10 176.88 3knz n THR 32 N 2.61 0.00 -3.49 3.92 -2.24 0.11 -4.91 114.28 110.28 3knz n THR 32 Ca 0.03 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 3knz n THR 32 Cb 0.47 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.34 1.12 -0.15 -0.78 1.70 -1.20 -4.32 118.95 112.97 3knz s ARG 33 Ca 0.01 0.03 -0.05 0.00 -0.47 0.00 0.00 55.73 55.25 3knz s ARG 33 Cb 0.08 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 3knz s ARG 33 CO 0.47 -0.40 0.03 0.42 -1.08 0.00 0.00 175.30 174.75 3knz s ILE 34 N -1.98 4.55 -0.20 4.99 1.09 0.42 -1.92 121.20 128.13 3knz s ILE 34 Ca -0.07 -0.13 0.01 0.00 -1.10 0.00 0.00 60.65 59.36 3knz s ILE 34 Cb -0.00 -3.01 0.03 0.00 -1.06 0.00 0.00 42.46 38.42 3knz s ILE 34 CO 0.03 0.51 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.58 3knz s ILE 35 N 0.03 2.16 -0.23 2.92 1.01 -0.55 0.34 121.20 126.88 3knz s ILE 35 Ca 0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 3knz s ILE 35 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3knz s ILE 35 CO 0.01 0.38 0.11 -0.76 0.00 0.00 0.00 174.94 174.68 3knz s LEU 36 N 1.25 3.88 0.02 2.97 1.43 0.58 -0.59 118.68 128.23 3knz s LEU 36 Ca 0.01 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3knz s LEU 36 Cb -0.15 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3knz s LEU 36 CO -0.10 0.07 -0.10 0.28 0.23 0.00 0.00 176.35 176.73 3knz s THR 37 N 0.99 0.79 -2.54 5.49 -1.32 -0.28 -2.08 115.64 116.69 3knz s THR 37 Ca 0.06 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 3knz s THR 37 Cb -0.14 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3knz s THR 37 CO 0.03 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3knz n GLY 38 N 2.18 -1.20 3.25 6.08 0.00 -1.17 -0.34 105.19 113.99 3knz n GLY 38 Ca -0.17 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.00 1.47 0.58 1.61 0.01 -1.26 -4.22 113.70 107.89 3knz s SER 39 Ca 0.00 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.14 3knz s SER 39 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3knz s SER 39 CO 0.00 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.77 3knz n GLY 40 N -0.24 2.86 0.29 3.44 0.00 -1.26 -1.68 105.19 108.60 3knz n GLY 40 Ca -0.08 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.51 -0.35 2.61 2.02 -1.97 0.23 112.91 115.96 3knz h THR 41 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3knz h THR 41 Cb 0.00 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3knz h THR 41 CO 0.00 0.06 0.22 0.28 0.37 0.00 0.00 175.52 176.45 3knz h SER 42 N 0.35 0.42 -0.79 4.18 0.02 -1.67 0.22 113.55 116.28 3knz h SER 42 Ca 0.48 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 3knz h SER 42 Cb 0.84 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 3knz h SER 42 CO -0.51 0.34 0.40 0.22 -1.14 0.00 0.00 176.83 176.14 3knz h TYR 43 N 0.46 1.12 -0.35 3.45 3.20 -0.76 -1.91 116.97 122.18 3knz h TYR 43 Ca 0.13 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3knz h TYR 43 Cb -0.01 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 3knz h TYR 43 CO -0.04 0.80 -0.20 0.45 -1.64 0.00 0.00 178.16 177.53 3knz h HIS 44 N 1.11 0.74 -0.37 -3.82 3.86 0.15 -0.96 115.15 115.87 3knz h HIS 44 Ca 0.27 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3knz h HIS 44 Cb 0.09 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3knz h HIS 44 CO 0.01 0.81 0.21 0.78 0.86 0.00 0.00 177.93 180.60 3knz h GLY 45 N 0.99 0.54 0.84 2.45 0.00 -0.28 -0.03 103.07 107.58 3knz h GLY 45 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3knz h GLY 45 CO 0.05 0.23 0.26 0.00 0.00 0.00 0.00 176.54 177.08 3knz h ALA 46 N 1.08 0.59 -0.46 3.60 0.00 -1.03 0.02 119.26 123.07 3knz h ALA 46 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 46 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3knz h ALA 46 CO -0.02 -0.07 0.28 -0.07 0.00 0.00 0.00 179.25 179.37 3knz h LEU 47 N 0.52 0.47 -1.31 0.00 3.38 -0.79 -0.40 115.31 117.18 3knz h LEU 47 Ca 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3knz h LEU 47 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3knz h LEU 47 CO -0.11 0.34 -0.18 0.74 0.09 0.00 0.00 178.44 179.32 3knz h THR 48 N 0.57 1.20 -0.00 0.22 2.02 -0.53 -2.96 112.91 113.43 3knz h THR 48 Ca 0.18 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3knz h THR 48 Cb -0.02 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3knz h THR 48 CO -0.06 0.28 -0.56 0.00 0.37 0.00 0.00 175.52 175.55 3knz n ALA 49 N -2.49 3.75 -0.03 6.16 0.00 -0.05 -4.64 120.51 123.21 3knz n ALA 49 Ca -0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 3knz n ALA 49 Cb 0.31 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 0.75 -0.49 -0.50 0.00 2.43 -0.90 -2.80 114.38 112.87 3knz h ARG 50 Ca 0.00 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3knz h ARG 50 Cb 0.55 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 3knz h ARG 50 CO 0.00 -0.33 0.14 1.15 -1.51 0.00 0.00 179.97 179.42 3knz h THR 51 N -0.51 0.77 0.00 0.20 2.02 -1.82 -0.12 112.91 113.45 3knz h THR 51 Ca 0.04 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3knz h THR 51 Cb 0.62 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3knz h THR 51 CO -0.44 0.05 0.00 0.33 0.37 0.00 0.00 175.52 175.84 3knz n PHE 52 N -5.06 0.00 0.00 3.16 7.35 -1.06 -2.02 117.46 119.83 3knz n PHE 52 Ca 0.05 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3knz n PHE 52 Cb 0.23 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.00 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 0.72 0.00 0.34 -4.13 6.02 -0.06 -2.24 117.38 118.04 3knz n GLN 54 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 3knz n GLN 54 Cb 0.02 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.19 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 -1.01 0.00 -1.09 2.43 -1.67 0.05 114.38 113.09 3knz h ARG 55 Ca 0.00 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 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 -0.30 -1.49 -1.51 0.00 0.00 179.97 176.00 3knz h TRP 56 N -1.04 0.00 0.00 2.20 4.06 -1.72 -2.91 115.95 116.54 3knz h TRP 56 Ca -0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.87 3knz h TRP 56 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 3knz h TRP 56 CO -0.16 0.30 -0.60 0.00 -3.56 0.00 0.00 178.44 174.41 3knz n ALA 58 N -2.13 -1.66 -2.99 0.00 0.00 -0.01 -4.93 120.51 108.81 3knz n ALA 58 Ca 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3knz n ALA 58 Cb 0.53 -3.63 -0.07 0.00 0.00 0.00 0.00 19.45 16.28 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 -6.91 0.85 0.47 0.00 1.43 -1.16 -5.08 118.68 108.28 3knz s LEU 59 Ca 0.32 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 3knz s LEU 59 Cb -0.15 1.39 -0.07 0.00 0.03 0.00 0.00 46.19 47.39 3knz s LEU 59 CO 0.77 -0.64 1.27 -2.84 0.23 0.00 0.00 176.35 175.15 3knz s PRO 60 N -2.72 3.61 -0.20 1.29 0.02 -1.26 -4.41 135.00 131.33 3knz s PRO 60 Ca -0.04 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 3knz s PRO 60 Cb -0.00 -2.46 0.05 0.00 0.02 0.00 0.00 34.50 32.11 3knz s PRO 60 CO -0.04 -0.76 -0.03 0.08 -0.33 0.00 0.00 177.00 175.92 3knz s VAL 61 N -1.38 1.16 0.17 3.83 1.01 -1.26 -0.44 120.40 123.49 3knz s VAL 61 Ca 0.64 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 3knz s VAL 61 Cb -0.36 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 3knz s VAL 61 CO 0.44 -0.04 0.44 -1.81 0.00 0.00 0.00 175.10 174.12 3knz s ASP 62 N 1.58 6.55 -0.07 3.32 1.01 0.15 -4.98 116.67 124.24 3knz s ASP 62 Ca -0.02 0.72 -0.01 0.00 0.71 0.00 0.00 52.55 53.95 3knz s ASP 62 Cb -0.17 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.64 3knz s ASP 62 CO -0.07 0.02 -0.00 -0.69 0.21 0.00 0.00 175.17 174.64 3knz s VAL 63 N -1.69 0.37 0.29 -1.27 1.01 -1.26 -0.30 120.40 117.55 3knz s VAL 63 Ca 0.42 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 3knz s VAL 63 Cb -0.12 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3knz s VAL 63 CO 0.23 0.25 0.60 0.00 0.00 0.00 0.00 175.10 176.18 3knz s TRP 65 N -3.55 3.36 0.36 0.00 0.51 -1.26 -3.05 118.94 115.32 3knz s TRP 65 Ca 0.19 1.43 0.11 0.00 -2.12 0.00 0.00 56.10 55.71 3knz s TRP 65 Cb -0.03 -2.70 0.88 0.00 -0.81 0.00 0.00 33.47 30.81 3knz s TRP 65 CO 0.10 0.01 1.84 -1.35 -0.51 0.00 0.00 176.95 177.04 3knz h PRO 66 N 2.16 0.60 -2.57 4.98 0.11 -1.89 -3.33 132.00 132.06 3knz h PRO 66 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3knz h PRO 66 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3knz h PRO 66 CO 0.63 0.40 0.14 1.97 -0.21 0.00 0.00 178.00 180.94 3knz n PHE 67 N -4.59 0.00 -2.43 0.65 1.16 -1.26 -4.58 117.46 106.41 3knz n PHE 67 Ca 0.20 -0.57 0.00 0.00 -1.87 0.00 0.00 57.45 55.21 3knz n PHE 67 Cb 0.57 -0.83 0.00 0.00 -1.61 0.00 0.00 39.48 37.61 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 2.74 0.00 -4.94 5.98 4.77 -1.25 -5.04 117.00 119.26 3knz n LEU 69 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 3knz n LEU 69 Cb 0.35 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.54 3knz n LEU 69 CO 0.19 0.00 0.66 1.51 -1.33 0.00 0.00 177.39 178.42 3knz s ASP 70 N -1.95 4.36 0.22 -1.43 1.47 -1.26 -4.85 116.67 113.23 3knz s ASP 70 Ca 0.00 0.26 -0.08 0.00 1.18 0.00 0.00 52.55 53.90 3knz s ASP 70 Cb 0.00 -0.72 0.31 0.00 -0.34 0.00 0.00 42.92 42.17 3knz s ASP 70 CO 0.00 -1.89 1.76 0.44 0.68 0.00 0.00 175.17 176.16 3knz h ASP 71 N -0.81 0.33 -0.41 2.11 3.32 -1.96 -1.41 116.42 117.59 3knz h ASP 71 Ca -0.43 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 3knz h ASP 71 Cb 1.29 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 3knz h ASP 71 CO 0.52 0.19 0.14 -0.33 -1.72 0.00 0.00 179.24 178.04 3knz h GLU 72 N 0.49 0.63 -0.63 3.56 5.08 -1.99 -0.31 114.58 121.42 3knz h GLU 72 Ca 0.33 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3knz h GLU 72 Cb 0.38 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3knz h GLU 72 CO -0.29 0.61 0.32 1.15 -1.00 0.00 0.00 179.01 179.80 3knz h THR 73 N 0.52 1.21 0.00 1.13 2.02 -1.86 -1.30 112.91 114.63 3knz h THR 73 Ca 0.13 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 3knz h THR 73 Cb 0.23 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3knz h THR 73 CO -0.01 0.24 -0.39 -0.07 0.37 0.00 0.00 175.52 175.66 3knz h LEU 74 N 0.86 0.00 0.13 2.58 3.38 -1.05 -2.28 115.31 118.94 3knz h LEU 74 Ca 0.22 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.90 3knz h LEU 74 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3knz h LEU 74 CO -0.03 0.39 -1.27 0.00 0.09 0.00 0.00 178.44 177.62 3knz h ALA 75 N 1.61 0.05 -0.08 1.53 0.00 -0.66 -3.30 119.26 118.42 3knz h ALA 75 Ca -0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.89 3knz h ALA 75 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3knz h ALA 75 CO 0.05 0.88 -0.63 0.00 0.00 0.00 0.00 179.25 179.55 3knz h ARG 76 N 0.11 0.30 -7.08 0.00 2.47 -1.19 -3.46 114.38 105.53 3knz h ARG 76 Ca -0.16 -0.21 -0.52 0.00 -1.26 0.00 0.00 59.98 57.83 3knz h ARG 76 Cb 1.99 0.04 0.10 0.00 -1.65 0.00 0.00 29.97 30.44 3knz h ARG 76 CO 0.22 0.83 0.47 0.45 0.56 0.00 0.00 179.97 182.50 3knz s SER 77 N -6.91 5.46 0.82 7.04 0.15 -0.86 -5.03 113.70 114.37 3knz s SER 77 Ca -0.05 2.33 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 3knz s SER 77 Cb 0.12 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.92 3knz s SER 77 CO 0.81 -1.40 1.09 -0.83 1.20 0.00 0.00 173.24 174.11 3knz s GLY 78 N -1.60 1.64 0.15 9.45 0.00 -1.26 -4.92 107.32 110.77 3knz s GLY 78 Ca 0.74 -0.01 -0.34 0.00 0.00 0.00 0.00 44.72 45.11 3knz s GLY 78 CO 0.32 0.41 1.41 1.17 0.00 0.00 0.00 173.10 176.40 3knz n LYS 79 N -3.61 1.63 -4.20 2.90 4.81 -1.26 -4.83 118.16 113.60 3knz n LYS 79 Ca 0.08 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 57.98 3knz n LYS 79 Cb 0.55 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.24 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 0.45 1.16 -0.46 3.14 0.00 -1.26 0.09 121.76 124.88 3knz s ALA 80 Ca 0.78 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 3knz s ALA 80 Cb -0.80 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.01 3knz s ALA 80 CO 0.45 -0.37 0.37 -1.17 0.00 0.00 0.00 175.76 175.03 3knz s LEU 81 N -3.12 5.49 -0.21 0.00 2.96 -0.81 -1.43 118.68 121.56 3knz s LEU 81 Ca 0.23 -1.28 -0.19 0.00 -0.22 0.00 0.00 54.13 52.67 3knz s LEU 81 Cb 0.07 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3knz s LEU 81 CO 0.02 -0.60 0.56 -0.69 -1.32 0.00 0.00 176.35 174.32 3knz s VAL 82 N 1.63 5.06 -0.26 1.68 1.01 0.13 -1.48 120.40 128.17 3knz s VAL 82 Ca 0.04 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3knz s VAL 82 Cb -0.23 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3knz s VAL 82 CO 0.07 0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.54 3knz s VAL 83 N 1.90 2.76 -0.17 2.92 1.01 0.24 -0.86 120.40 128.20 3knz s VAL 83 Ca 0.25 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3knz s VAL 83 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3knz s VAL 83 CO 0.10 0.13 0.64 -0.83 0.00 0.00 0.00 175.10 175.14 3knz s GLY 84 N 1.28 2.17 0.01 4.51 0.00 -0.55 -1.13 107.32 113.60 3knz s GLY 84 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.57 3knz s GLY 84 CO -0.04 1.27 -0.10 -0.42 0.00 0.00 0.00 173.10 173.81 3knz s ILE 85 N 1.65 3.42 -0.21 0.90 1.01 0.54 -4.44 121.20 124.06 3knz s ILE 85 Ca 0.31 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 3knz s ILE 85 Cb -0.16 -2.47 0.06 0.00 0.01 0.00 0.00 42.46 39.90 3knz s ILE 85 CO 0.12 0.40 0.60 -0.55 0.00 0.00 0.00 174.94 175.51 3knz s SER 86 N -1.35 -0.62 0.38 3.58 0.15 -1.26 -4.52 113.70 110.05 3knz s SER 86 Ca 0.16 1.17 0.25 0.00 0.70 0.00 0.00 55.95 58.23 3knz s SER 86 Cb -0.11 1.18 0.67 0.00 -1.71 0.00 0.00 66.02 66.04 3knz s SER 86 CO 0.06 -0.24 1.72 1.56 1.20 0.00 0.00 173.24 177.54 3knz h GLN 87 N 5.01 0.00 0.00 5.44 1.08 -1.93 -1.95 115.11 122.77 3knz h GLN 87 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3knz h GLN 87 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 3knz h GLN 87 CO 0.14 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.43 3knz n GLY 88 N 0.91 3.32 0.85 3.46 0.00 -1.26 -3.71 105.19 108.77 3knz n GLY 88 Ca 0.04 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.99 0.00 -0.02 0.00 -1.26 -1.71 105.19 108.19 3knz n GLY 89 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.31 2.68 3.98 -0.02 0.00 -1.26 -0.23 105.19 111.65 3knz n GLY 90 Ca 0.17 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 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 6.07 0.19 1.61 1.04 -1.26 -4.85 113.70 116.50 3knz s SER 91 Ca 0.00 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 3knz s SER 91 Cb 0.00 -1.41 0.11 0.00 0.10 0.00 0.00 66.02 64.81 3knz s SER 91 CO 0.00 -0.33 1.76 -0.07 0.98 0.00 0.00 173.24 175.58 3knz h LEU 92 N 0.97 0.90 -0.12 2.42 3.38 -1.99 -0.48 115.31 120.40 3knz h LEU 92 Ca -0.48 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.35 3knz h LEU 92 Cb 1.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3knz h LEU 92 CO 0.55 0.80 0.06 0.28 0.09 0.00 0.00 178.44 180.22 3knz h SER 93 N 0.93 0.08 -0.55 -0.43 0.02 -1.99 0.42 113.55 112.04 3knz h SER 93 Ca 0.23 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 3knz h SER 93 Cb 0.17 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3knz h SER 93 CO -0.02 0.07 0.22 0.74 -1.14 0.00 0.00 176.83 176.69 3knz h THR 94 N 0.12 1.22 0.39 -2.27 2.02 -1.89 -0.46 112.91 112.04 3knz h THR 94 Ca 0.05 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3knz h THR 94 Cb 0.01 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3knz h THR 94 CO -0.04 0.27 -0.33 0.25 0.37 0.00 0.00 175.52 176.04 3knz h LEU 95 N 0.76 -0.87 -0.75 2.58 5.85 -0.79 -2.50 115.31 119.59 3knz h LEU 95 Ca 0.18 0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.10 3knz h LEU 95 Cb 0.20 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 3knz h LEU 95 CO -0.01 -0.48 0.33 0.00 -0.34 0.00 0.00 178.44 177.93 3knz h ALA 96 N -0.24 1.06 0.00 1.25 0.00 -0.78 -1.56 119.26 118.99 3knz h ALA 96 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3knz h ALA 96 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3knz h ALA 96 CO -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3knz n ALA 97 N -2.47 1.09 0.00 0.00 0.00 -0.20 -1.60 120.51 117.33 3knz n ALA 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3knz n ALA 97 Cb 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.60 0.00 -0.27 0.00 1.02 -0.59 -2.09 120.64 119.31 3knz n GLU 99 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3knz n GLU 99 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 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 1.15 -0.24 3.49 3.08 -1.57 -0.79 114.38 119.50 3knz h ARG 100 Ca 0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3knz h ARG 100 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3knz h ARG 100 CO 0.00 0.94 -0.13 0.00 -1.07 0.00 0.00 179.97 179.71 3knz h ALA 101 N 1.20 0.34 -0.62 0.04 0.00 -1.70 -2.78 119.26 115.75 3knz h ALA 101 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3knz h ALA 101 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3knz h ALA 101 CO -0.02 0.21 0.26 -0.09 0.00 0.00 0.00 179.25 179.61 3knz h ARG 102 N 0.23 0.89 -0.42 0.00 2.43 -1.66 -0.28 114.38 115.57 3knz h ARG 102 Ca 0.05 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 3knz h ARG 102 Cb 0.64 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3knz h ARG 102 CO 0.04 0.72 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.23 3knz h ASN 103 N 0.88 0.70 1.38 -3.80 2.35 -1.08 -2.65 115.58 113.35 3knz h ASN 103 Ca 0.21 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3knz h ASN 103 Cb 0.15 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3knz h ASN 103 CO -0.02 0.82 0.00 0.52 -1.65 0.00 0.00 177.43 177.10 3knz n VAL 104 N -4.19 0.54 0.00 2.81 0.31 -0.88 -4.93 118.33 111.99 3knz n VAL 104 Ca 0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3knz n VAL 104 Cb 0.33 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3knz n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knz n GLY 105 N 1.26 0.91 3.80 2.92 0.00 -0.67 -5.07 105.19 108.34 3knz n GLY 105 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 2.93 0.04 1.61 3.76 -0.20 -4.92 115.29 116.51 3knz s HIS 106 Ca 0.00 1.55 -0.25 0.00 -0.15 0.00 0.00 55.06 56.20 3knz s HIS 106 Cb 0.00 -3.08 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 3knz s HIS 106 CO 0.00 -1.08 0.77 0.42 -0.85 0.00 0.00 174.74 174.00 3knz s ILE 107 N -2.16 4.74 0.21 0.60 1.09 -0.52 -4.13 121.20 121.04 3knz s ILE 107 Ca 0.67 1.65 0.09 0.00 -1.10 0.00 0.00 60.65 61.96 3knz s ILE 107 Cb -0.17 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 3knz s ILE 107 CO 0.28 0.35 -0.09 0.42 -0.10 0.00 0.00 174.94 175.81 3knz s THR 108 N 0.00 3.15 0.01 2.92 -4.23 -1.26 0.22 115.64 116.46 3knz s THR 108 Ca 0.39 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 3knz s THR 108 Cb -0.20 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.05 3knz s THR 108 CO 0.23 -0.20 0.22 0.00 -0.54 0.00 0.00 174.62 174.33 3knz s ALA 109 N -1.93 -0.51 0.00 3.99 0.00 -0.04 -1.74 121.76 121.54 3knz s ALA 109 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3knz s ALA 109 Cb -0.08 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3knz s ALA 109 CO 0.16 -0.28 0.00 -1.13 0.00 0.00 0.00 175.76 174.51 3knz n SER 110 N 1.12 1.41 0.00 0.00 3.41 -0.58 -1.49 113.62 117.49 3knz n SER 110 Ca -0.21 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 3knz n SER 110 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 1.29 7.33 0.00 -1.26 -0.60 120.51 124.27 3knz n ALA 112 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3knz n ALA 112 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.73 -0.71 3.10 0.00 0.00 -0.69 -0.90 105.19 105.26 3knz n GLY 113 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.50 0.18 -0.03 1.61 -7.23 -1.25 -4.53 120.40 106.66 3knz s VAL 114 Ca 0.25 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 3knz s VAL 114 Cb 0.19 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.90 3knz s VAL 114 CO 0.51 -0.84 -0.02 0.00 -0.31 0.00 0.00 175.10 174.44 3knz s ALA 115 N -3.44 0.46 0.49 1.32 0.00 -1.26 -3.49 121.76 115.85 3knz s ALA 115 Ca 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 3knz s ALA 115 Cb 0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 3knz s ALA 115 CO -0.08 -0.03 0.99 -1.25 0.00 0.00 0.00 175.76 175.38 3knz s PRO 116 N 0.93 3.96 0.22 0.00 0.04 -1.26 -5.10 135.00 133.79 3knz s PRO 116 Ca -0.11 1.09 0.09 0.00 0.04 0.00 0.00 61.00 62.11 3knz s PRO 116 Cb -0.14 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3knz s PRO 116 CO -0.01 -0.26 -0.03 0.00 0.04 0.00 0.00 177.00 176.73 3knz s ALA 117 N -2.37 3.10 0.17 8.56 0.00 -1.23 -4.95 121.76 125.04 3knz s ALA 117 Ca 0.61 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 3knz s ALA 117 Cb -0.11 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.27 3knz s ALA 117 CO 0.24 0.37 1.65 1.15 0.00 0.00 0.00 175.76 179.18 3knz h THR 118 N 2.28 1.26 0.00 0.00 2.02 -0.95 -2.68 112.91 114.85 3knz h THR 118 Ca -0.46 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3knz h THR 118 Cb 1.23 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3knz h THR 118 CO 0.58 0.39 0.00 2.30 0.37 0.00 0.00 175.52 179.16 3knz n ILE 119 N -4.26 1.17 0.25 3.11 -5.35 -0.86 -2.06 119.36 111.36 3knz n ILE 119 Ca 0.03 0.42 0.11 0.00 -0.27 0.00 0.00 62.75 63.03 3knz n ILE 119 Cb 0.30 -1.34 0.65 0.00 -1.74 0.00 0.00 39.64 37.52 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 0.07 7.28 3.32 -1.76 -2.20 116.42 123.13 3knz h ASP 120 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3knz h ASP 120 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3knz h ASP 120 CO 0.00 0.15 -0.03 0.03 -1.72 0.00 0.00 179.24 177.67 3knz h ARG 121 N 0.00 0.00 -0.35 3.56 3.08 -1.59 -2.18 114.38 116.89 3knz h ARG 121 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knz h ARG 121 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3knz h ARG 121 CO 0.02 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.95 3knz n ALA 122 N -2.37 2.27 -2.72 0.04 0.00 -0.84 -4.99 120.51 111.91 3knz n ALA 122 Ca -0.03 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.00 3knz n ALA 122 Cb 0.12 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.03 3.67 0.05 0.00 0.00 -0.82 -4.73 121.76 118.89 3knz s ALA 123 Ca 0.26 -0.69 0.16 0.00 0.00 0.00 0.00 51.96 51.69 3knz s ALA 123 Cb 0.14 -2.21 0.34 0.00 0.00 0.00 0.00 23.12 21.39 3knz s ALA 123 CO 0.19 0.11 1.57 -0.44 0.00 0.00 0.00 175.76 177.19 3knz h ASP 124 N 6.78 0.00 -3.29 0.00 3.32 -1.64 -3.43 116.42 118.16 3knz h ASP 124 Ca -0.41 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.25 3knz h ASP 124 Cb 1.15 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.31 3knz h ASP 124 CO 0.75 0.51 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.72 3knz s TYR 125 N -3.26 0.21 -0.48 4.55 2.02 -1.11 -5.03 117.35 114.25 3knz s TYR 125 Ca 0.02 0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 56.60 3knz s TYR 125 Cb 0.10 -0.57 0.03 0.00 -0.40 0.00 0.00 41.96 41.12 3knz s TYR 125 CO 0.73 -0.24 0.89 0.42 -1.57 0.00 0.00 175.55 175.77 3knz s ILE 126 N 2.12 4.51 -0.62 2.71 1.09 -1.26 -1.53 121.20 128.22 3knz s ILE 126 Ca 0.05 0.54 0.02 0.00 -1.10 0.00 0.00 60.65 60.16 3knz s ILE 126 Cb -0.12 -4.42 0.40 0.00 -1.06 0.00 0.00 42.46 37.25 3knz s ILE 126 CO -0.04 -0.86 1.58 0.18 -0.10 0.00 0.00 174.94 175.71 3knz n LEU 127 N 7.09 6.18 -4.58 2.97 4.77 0.23 -4.89 117.00 128.77 3knz n LEU 127 Ca 0.04 -4.93 -0.50 0.00 -0.03 0.00 0.00 56.01 50.58 3knz n LEU 127 Cb 0.48 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3knz n LEU 127 CO 0.62 1.96 0.78 0.41 -1.33 0.00 0.00 177.39 179.83 3knz n THR 128 N -0.57 0.51 -2.21 -5.08 -1.04 -1.25 -4.64 114.28 100.01 3knz n THR 128 Ca 0.48 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.94 3knz n THR 128 Cb 0.51 -0.79 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 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 0.08 3.90 -0.81 12.58 1.01 -0.07 -4.93 120.40 132.16 3knz s VAL 129 Ca 0.78 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 63.62 3knz s VAL 129 Cb -0.91 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 3knz s VAL 129 CO 0.50 -0.09 1.81 -2.16 0.00 0.00 0.00 175.10 175.16 3knz s PRO 130 N 3.64 2.75 -0.04 2.72 0.04 -1.26 -4.61 135.00 138.24 3knz s PRO 130 Ca 0.64 -0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.64 3knz s PRO 130 Cb -0.28 -4.81 0.08 0.00 0.04 0.00 0.00 34.50 29.53 3knz s PRO 130 CO 0.23 -2.94 1.04 0.00 0.04 0.00 0.00 177.00 175.37 3knz n GLY 132 N -0.76 0.00 4.95 0.00 0.00 -1.26 -5.12 105.19 103.00 3knz n GLY 132 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3knz n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knz n GLU 133 N 0.67 0.00 0.00 1.61 4.71 -1.26 -5.20 120.64 121.18 3knz n GLU 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3knz n GLU 133 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3knz n GLU 133 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3knz n THR 140 N 0.00 0.00 0.26 2.62 -1.04 -1.26 -5.11 114.28 109.75 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 0.68 0.00 -1.82 0.00 0.00 70.33 69.19 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 -0.10 -2.82 2.10 -1.99 -3.37 116.57 110.39 3knz h LYS 141 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3knz h LYS 141 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3knz h LYS 141 CO 0.00 0.10 -0.06 0.41 -2.00 0.00 0.00 179.45 177.90 3knz n GLY 142 N -1.02 -0.86 0.23 0.07 0.00 -1.26 -0.46 105.19 101.88 3knz n GLY 142 Ca -0.02 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.47 -0.24 1.61 3.20 -1.94 0.44 116.97 119.57 3knz h TYR 143 Ca 0.02 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3knz h TYR 143 Cb 0.04 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3knz h TYR 143 CO -0.28 -0.26 -0.04 0.45 -1.64 0.00 0.00 178.16 176.39 3knz h HIS 144 N -0.21 -0.09 -0.61 -3.82 3.86 -1.04 -0.94 115.15 112.31 3knz h HIS 144 Ca 0.11 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3knz h HIS 144 Cb 0.38 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3knz h HIS 144 CO -0.31 -0.08 0.24 0.00 0.86 0.00 0.00 177.93 178.63 3knz h THR 146 N 0.84 1.06 -0.13 0.00 2.02 -0.56 0.22 112.91 116.36 3knz h THR 146 Ca 0.20 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3knz h THR 146 Cb 0.21 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3knz h THR 146 CO -0.02 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.62 3knz h VAL 147 N 0.71 1.19 -0.71 3.16 2.07 -0.79 -2.33 116.25 119.54 3knz h VAL 147 Ca 0.24 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3knz h VAL 147 Cb 0.03 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3knz h VAL 147 CO -0.11 0.17 0.28 0.25 0.02 0.00 0.00 177.57 178.19 3knz h LEU 148 N 0.03 0.97 -0.41 2.57 5.85 -0.99 -2.79 115.31 120.53 3knz h LEU 148 Ca 0.04 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3knz h LEU 148 Cb 0.24 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3knz h LEU 148 CO -0.00 0.87 0.22 -1.13 -0.34 0.00 0.00 178.44 178.05 3knz h ASN 149 N 1.03 0.33 0.00 1.25 -1.24 -0.40 0.68 115.58 117.23 3knz h ASN 149 Ca 0.24 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3knz h ASN 149 Cb 0.20 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3knz h ASN 149 CO -0.02 0.24 0.00 0.18 -1.29 0.00 0.00 177.43 176.54 3knz n LEU 150 N -4.90 0.30 0.00 0.34 4.77 -0.89 -1.67 117.00 114.96 3knz n LEU 150 Ca 0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3knz n LEU 150 Cb 0.09 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3knz n LEU 150 CO 0.31 0.05 0.00 0.18 -1.33 0.00 0.00 177.39 176.60 3knz n LEU 152 N 0.77 0.00 -0.10 2.23 4.77 0.23 -1.91 117.00 122.99 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 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3knz n LEU 152 CO 0.00 0.00 0.89 0.25 -1.33 0.00 0.00 177.39 177.20 3knz h LEU 153 N 0.00 0.42 -0.57 2.23 5.85 -1.57 0.02 115.31 121.69 3knz h LEU 153 Ca 0.00 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3knz h LEU 153 Cb 0.00 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3knz h LEU 153 CO 0.00 0.48 0.18 0.00 -0.34 0.00 0.00 178.44 178.76 3knz h ALA 154 N 0.96 0.70 -0.28 1.25 0.00 -1.66 -0.77 119.26 119.46 3knz h ALA 154 Ca 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3knz h ALA 154 Cb 0.19 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3knz h ALA 154 CO -0.01 -0.24 -0.17 -0.07 0.00 0.00 0.00 179.25 178.77 3knz h LEU 155 N 0.34 0.48 -0.44 0.00 4.07 -1.79 -1.10 115.31 116.87 3knz h LEU 155 Ca 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 3knz h LEU 155 Cb 0.37 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3knz h LEU 155 CO -0.32 0.67 0.14 0.00 -1.08 0.00 0.00 178.44 177.85 3knz h ALA 156 N 1.38 0.58 -0.53 1.53 0.00 0.07 -1.60 119.26 120.69 3knz h ALA 156 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3knz h ALA 156 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3knz h ALA 156 CO 0.04 0.22 0.20 0.28 0.00 0.00 0.00 179.25 179.99 3knz h VAL 157 N 0.57 1.22 -0.32 0.00 2.07 -0.91 -1.37 116.25 117.51 3knz h VAL 157 Ca 0.14 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3knz h VAL 157 Cb 0.25 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3knz h VAL 157 CO -0.01 0.26 0.11 0.00 0.02 0.00 0.00 177.57 177.96 3knz h ALA 158 N 1.05 0.37 -0.55 1.67 0.00 -0.97 -1.88 119.26 118.96 3knz h ALA 158 Ca 0.18 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3knz h ALA 158 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3knz h ALA 158 CO -0.01 -0.29 -0.04 0.78 0.00 0.00 0.00 179.25 179.70 3knz h GLY 159 N 0.25 1.07 1.89 0.00 0.00 -1.13 0.20 103.07 105.35 3knz h GLY 159 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 3knz h GLY 159 CO -0.15 0.75 -0.15 -1.61 0.00 0.00 0.00 176.54 175.38 3knz h GLN 160 N 0.87 0.14 -0.64 4.80 5.75 -1.03 -0.70 115.11 124.29 3knz h GLN 160 Ca 0.15 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3knz h GLN 160 Cb 0.59 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3knz h GLN 160 CO 0.04 0.29 0.00 1.04 -2.65 0.00 0.00 178.83 177.54 3knz n GLN 161 N -4.30 3.09 -3.94 1.69 6.02 -0.72 -4.93 117.38 114.28 3knz n GLN 161 Ca -0.01 -1.98 -0.26 0.00 -0.01 0.00 0.00 57.00 54.74 3knz n GLN 161 Cb 0.25 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.71 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 0.60 -3.57 -0.17 -1.09 6.02 -0.27 -4.88 117.38 114.02 3knz n GLN 162 Ca 0.18 0.44 0.08 0.00 -0.01 0.00 0.00 57.00 57.68 3knz n GLN 162 Cb 0.72 -4.68 0.11 0.00 1.02 0.00 0.00 30.24 27.41 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 -4.39 1.00 -3.45 -1.09 1.74 0.68 -4.93 116.66 106.23 3knz n ARG 163 Ca -0.28 -2.24 -0.22 0.00 -0.77 0.00 0.00 57.85 54.35 3knz n ARG 163 Cb 0.67 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.26 0.08 0.00 0.55 2.96 -1.23 -4.81 118.68 113.97 3knz s LEU 164 Ca 0.25 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 3knz s LEU 164 Cb 0.22 0.19 0.15 0.00 0.50 0.00 0.00 46.19 47.25 3knz s LEU 164 CO 0.02 -0.39 0.99 -0.90 -1.32 0.00 0.00 176.35 174.75 3knz n ASP 165 N 5.16 1.09 -0.28 3.68 5.68 -1.26 -4.71 116.55 125.91 3knz n ASP 165 Ca -0.02 -1.98 -0.02 0.00 -0.50 0.00 0.00 54.79 52.28 3knz n ASP 165 Cb 0.44 -0.67 0.10 0.00 -1.14 0.00 0.00 41.12 39.86 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 -0.73 1.13 1.06 6.12 0.00 -2.01 0.18 103.07 108.82 3knz h GLY 166 Ca -0.33 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 3knz h GLY 166 CO 0.33 0.29 -0.01 -2.09 0.00 0.00 0.00 176.54 175.05 3knz h GLU 167 N 0.92 1.01 -0.09 4.80 4.57 -1.99 -0.60 114.58 123.21 3knz h GLU 167 Ca 0.32 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3knz h GLU 167 Cb 0.06 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3knz h GLU 167 CO -0.13 1.01 -0.05 1.96 -1.18 0.00 0.00 179.01 180.62 3knz h GLN 168 N 0.90 0.19 -0.57 1.92 4.20 -1.86 -0.36 115.11 119.52 3knz h GLN 168 Ca 0.16 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.85 3knz h GLN 168 Cb 0.56 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 3knz h GLN 168 CO 0.03 0.56 0.26 -0.09 -0.67 0.00 0.00 178.83 178.92 3knz h ARG 169 N -0.19 0.46 -0.07 1.46 9.65 -0.56 -1.10 114.38 124.04 3knz h ARG 169 Ca 0.02 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 3knz h ARG 169 Cb 0.51 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3knz h ARG 169 CO 0.01 0.31 -0.13 -0.09 2.80 0.00 0.00 179.97 182.87 3knz h ARG 170 N 0.48 0.20 -0.59 0.20 2.43 -1.10 -1.79 114.38 114.21 3knz h ARG 170 Ca 0.27 -0.13 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 3knz h ARG 170 Cb 0.26 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.72 3knz h ARG 170 CO -0.23 0.71 -0.04 1.03 -1.51 0.00 0.00 179.97 179.93 3knz h SER 171 N -0.29 -0.35 0.12 -3.80 0.87 -0.77 0.30 113.55 109.64 3knz h SER 171 Ca 0.00 0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3knz h SER 171 Cb 0.70 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 3knz h SER 171 CO 0.03 -0.13 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.96 3knz h LEU 172 N 0.08 -0.45 -1.11 2.23 3.38 -1.18 -0.99 115.31 117.27 3knz h LEU 172 Ca 0.30 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3knz h LEU 172 Cb 0.48 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3knz h LEU 172 CO -0.54 -0.24 0.56 -0.07 0.09 0.00 0.00 178.44 178.24 3knz h LEU 173 N -0.33 1.02 -0.35 1.67 3.38 -0.34 -2.15 115.31 118.21 3knz h LEU 173 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3knz h LEU 173 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3knz h LEU 173 CO -0.08 0.75 0.20 -0.07 0.09 0.00 0.00 178.44 179.34 3knz h LEU 174 N 1.19 0.42 -1.32 1.67 3.38 -0.15 0.50 115.31 121.01 3knz h LEU 174 Ca 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3knz h LEU 174 Cb -0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3knz h LEU 174 CO -0.07 0.37 0.00 0.54 0.09 0.00 0.00 178.44 179.38 3knz n ARG 175 N -4.79 0.10 0.00 1.13 1.74 -0.40 -0.29 116.66 114.14 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 0.07 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.61 0.00 -0.22 5.56 2.13 0.17 -2.09 120.64 126.80 3knz n GLU 177 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3knz n GLU 177 Cb 0.03 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.82 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 0.71 -0.24 5.31 3.64 -0.89 -1.15 116.57 123.95 3knz h LYS 178 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3knz h LYS 178 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3knz h LYS 178 CO 0.00 0.47 0.02 1.15 -2.27 0.00 0.00 179.45 178.82 3knz h THR 179 N 0.73 1.24 -0.51 1.00 2.02 -1.67 -2.82 112.91 112.88 3knz h THR 179 Ca 0.27 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3knz h THR 179 Cb 0.08 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3knz h THR 179 CO -0.13 0.26 0.28 -0.26 0.37 0.00 0.00 175.52 176.04 3knz h PHE 180 N 0.19 0.53 0.00 3.16 0.04 -1.77 -1.78 116.94 117.32 3knz h PHE 180 Ca 0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3knz h PHE 180 Cb 0.36 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 3knz h PHE 180 CO 0.03 0.28 -0.03 -0.91 -0.60 0.00 0.00 178.31 177.08 3knz h ASN 181 N 0.56 0.00 0.45 2.17 2.35 -1.16 -2.01 115.58 117.94 3knz h ASN 181 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3knz h ASN 181 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3knz h ASN 181 CO -0.12 0.03 -0.32 1.41 -1.65 0.00 0.00 177.43 176.77 3knz n HIS 182 N -3.87 0.00 -0.11 1.19 8.25 -0.69 -4.27 115.22 115.71 3knz n HIS 182 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3knz n HIS 182 Cb 0.11 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 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 0.44 0.46 -0.84 2.41 3.38 -1.07 -2.93 115.31 117.16 3knz h LEU 183 Ca 0.00 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 57.96 3knz h LEU 183 Cb 0.48 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3knz h LEU 183 CO 0.00 0.50 0.42 -0.65 0.09 0.00 0.00 178.44 178.79 3knz h PRO 184 N 0.39 0.57 -0.76 1.13 0.11 -1.75 0.46 132.00 132.14 3knz h PRO 184 Ca 0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 3knz h PRO 184 Cb 0.18 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.12 3knz h PRO 184 CO -0.01 0.37 0.37 0.00 -0.21 0.00 0.00 178.00 178.53 3knz h ALA 185 N 1.57 1.22 -0.06 -0.75 0.00 -1.80 -1.90 119.26 117.53 3knz h ALA 185 Ca 0.47 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3knz h ALA 185 Cb 0.69 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3knz h ALA 185 CO -0.38 0.60 -0.58 1.25 0.00 0.00 0.00 179.25 180.14 3knz h LEU 186 N 1.08 0.22 -0.15 0.00 5.85 -0.69 -2.03 115.31 119.60 3knz h LEU 186 Ca 0.26 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3knz h LEU 186 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3knz h LEU 186 CO -0.03 0.75 0.04 0.58 -0.34 0.00 0.00 178.44 179.44 3knz h VAL 187 N 0.15 1.19 -0.44 1.05 2.07 0.30 -0.25 116.25 120.32 3knz h VAL 187 Ca -0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3knz h VAL 187 Cb 1.07 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3knz h VAL 187 CO 0.09 0.18 0.27 0.74 0.02 0.00 0.00 177.57 178.87 3knz h THR 188 N 0.06 1.13 -0.61 2.57 2.02 -1.27 -1.64 112.91 115.17 3knz h THR 188 Ca 0.05 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3knz h THR 188 Cb 0.24 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3knz h THR 188 CO -0.00 0.14 0.28 0.00 0.37 0.00 0.00 175.52 176.30 3knz h ALA 189 N 1.13 0.79 -0.82 6.16 0.00 -1.31 -2.49 119.26 122.73 3knz h ALA 189 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 189 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3knz h ALA 189 CO -0.03 0.37 0.49 0.77 0.00 0.00 0.00 179.25 180.85 3knz h SER 190 N 0.84 0.97 -0.44 0.00 0.02 -0.74 -1.52 113.55 112.68 3knz h SER 190 Ca 0.21 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3knz h SER 190 Cb 0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3knz h SER 190 CO -0.02 0.74 0.05 -0.61 -1.14 0.00 0.00 176.83 175.85 3knz h GLN 191 N 1.12 0.74 0.12 3.45 4.15 -0.90 0.24 115.11 124.03 3knz h GLN 191 Ca 0.29 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3knz h GLN 191 Cb -0.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3knz h GLN 191 CO -0.06 0.78 -0.12 0.00 -1.93 0.00 0.00 178.83 177.50 3knz h ALA 192 N 0.93 -0.24 -0.33 3.38 0.00 -1.04 -1.34 119.26 120.62 3knz h ALA 192 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3knz h ALA 192 Cb 0.41 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3knz h ALA 192 CO 0.01 -0.65 0.20 2.35 0.00 0.00 0.00 179.25 181.16 3knz h TRP 193 N -0.27 0.38 -0.94 0.00 7.01 -1.13 -1.29 115.95 119.71 3knz h TRP 193 Ca 0.01 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.04 3knz h TRP 193 Cb 0.26 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 3knz h TRP 193 CO -0.13 0.23 0.62 0.00 -2.79 0.00 0.00 178.44 176.38 3knz h ALA 194 N 1.14 1.36 -0.10 2.65 0.00 -0.38 -2.35 119.26 121.58 3knz h ALA 194 Ca 0.13 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 3knz h ALA 194 Cb -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.42 3knz h ALA 194 CO -0.05 0.56 -0.81 1.96 0.00 0.00 0.00 179.25 180.92 3knz h GLN 195 N 1.23 0.65 -0.61 0.00 4.20 -0.93 -2.58 115.11 117.05 3knz h GLN 195 Ca 0.36 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3knz h GLN 195 Cb -0.06 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3knz h GLN 195 CO -0.10 1.17 0.31 1.15 -0.67 0.00 0.00 178.83 180.70 3knz h THR 196 N 0.43 1.19 -0.42 -0.54 2.02 -0.90 -3.14 112.91 111.55 3knz h THR 196 Ca -0.06 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3knz h THR 196 Cb 1.42 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3knz h THR 196 CO 0.16 0.22 0.00 0.59 0.37 0.00 0.00 175.52 176.86 3knz n ASN 197 N -4.37 3.93 0.13 4.18 3.02 -0.92 -4.70 115.26 116.54 3knz n ASN 197 Ca 0.06 -2.51 -0.13 0.00 -0.03 0.00 0.00 54.58 51.97 3knz n ASN 197 Cb 0.12 -0.46 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 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 2.68 -0.31 -0.54 5.41 0.00 -1.41 -2.52 119.26 122.57 3knz h ALA 198 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3knz h ALA 198 Cb 1.24 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 3knz h ALA 198 CO 0.16 -0.69 0.12 -0.07 0.00 0.00 0.00 179.25 178.77 3knz h LEU 199 N -0.34 0.01 0.23 0.00 3.38 -1.84 -2.01 115.31 114.75 3knz h LEU 199 Ca -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3knz h LEU 199 Cb 0.30 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3knz h LEU 199 CO -0.01 0.03 -0.11 0.00 0.09 0.00 0.00 178.44 178.44 3knz h ALA 200 N 1.43 -0.31 -0.31 1.53 0.00 -1.88 -1.95 119.26 117.76 3knz h ALA 200 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 200 Cb 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3knz h ALA 200 CO -0.35 -0.59 0.18 -0.07 0.00 0.00 0.00 179.25 178.42 3knz h LEU 201 N -0.48 0.36 -0.30 0.00 3.38 -1.30 -1.32 115.31 115.66 3knz h LEU 201 Ca -0.03 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3knz h LEU 201 Cb 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3knz h LEU 201 CO 0.05 0.28 -0.48 0.03 0.09 0.00 0.00 178.44 178.42 3knz h ARG 202 N 0.42 0.86 0.00 1.13 3.08 -1.34 -3.08 114.38 115.45 3knz h ARG 202 Ca 0.11 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3knz h ARG 202 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3knz h ARG 202 CO -0.02 1.16 0.00 -0.25 -1.07 0.00 0.00 179.97 179.79 3knz n ASP 203 N -4.06 0.00 -4.90 7.04 8.00 -0.51 -4.70 116.55 117.42 3knz n ASP 203 Ca -0.04 -0.83 -0.33 0.00 0.71 0.00 0.00 54.79 54.30 3knz n ASP 203 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 3knz n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3knz s SER 204 N -1.66 6.42 0.04 -2.24 0.01 -1.13 -5.03 113.70 110.12 3knz s SER 204 Ca 0.07 0.42 -0.24 0.00 1.31 0.00 0.00 55.95 57.51 3knz s SER 204 Cb 0.03 -2.03 -0.16 0.00 0.21 0.00 0.00 66.02 64.07 3knz s SER 204 CO 0.05 0.22 1.48 0.00 0.41 0.00 0.00 173.24 175.40 3knz h ALA 205 N 3.60 0.06 -2.68 1.44 0.00 -1.69 -3.47 119.26 116.52 3knz h ALA 205 Ca -0.48 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 3knz h ALA 205 Cb 1.18 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 3knz h ALA 205 CO 0.70 -0.29 -0.40 0.16 0.00 0.00 0.00 179.25 179.43 3knz s ASP 206 N -5.55 0.05 -0.03 0.00 1.47 -1.26 -4.61 116.67 106.74 3knz s ASP 206 Ca -0.14 -1.14 0.03 0.00 1.18 0.00 0.00 52.55 52.47 3knz s ASP 206 Cb 0.04 0.46 -0.00 0.00 -0.34 0.00 0.00 42.92 43.08 3knz s ASP 206 CO 0.68 -0.96 -0.12 -0.63 0.68 0.00 0.00 175.17 174.83 3knz s ILE 207 N -4.08 1.00 -0.10 2.11 1.01 -0.75 -2.06 121.20 118.34 3knz s ILE 207 Ca 0.29 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3knz s ILE 207 Cb 0.04 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 3knz s ILE 207 CO 0.09 0.30 -0.22 -0.13 0.00 0.00 0.00 174.94 174.98 3knz s ARG 208 N 0.10 3.07 0.01 2.79 1.81 0.29 -1.84 118.95 125.18 3knz s ARG 208 Ca -0.03 -0.84 0.03 0.00 -1.72 0.00 0.00 55.73 53.18 3knz s ARG 208 Cb -0.09 -2.36 -0.04 0.00 -0.45 0.00 0.00 34.95 32.02 3knz s ARG 208 CO 0.01 0.21 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.28 3knz s LEU 209 N 0.28 3.27 0.22 2.53 1.43 0.10 -1.32 118.68 125.20 3knz s LEU 209 Ca -0.16 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3knz s LEU 209 Cb -0.17 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3knz s LEU 209 CO 0.08 0.27 0.47 0.28 0.23 0.00 0.00 176.35 177.68 3knz s THR 210 N -1.05 0.02 -0.95 5.49 -1.32 -0.73 -0.85 115.64 116.24 3knz s THR 210 Ca 0.19 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 3knz s THR 210 Cb -0.11 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 3knz s THR 210 CO 0.09 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3knz n GLY 211 N -0.35 -1.42 3.70 6.08 0.00 -1.16 -0.99 105.19 111.06 3knz n GLY 211 Ca -0.05 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 3knz n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knz s PRO 212 N -1.80 1.26 0.53 1.61 0.04 -1.26 -0.18 135.00 135.18 3knz s PRO 212 Ca 0.00 1.01 0.20 0.00 0.04 0.00 0.00 61.00 62.25 3knz s PRO 212 Cb 0.00 -1.79 1.32 0.00 0.04 0.00 0.00 34.50 34.07 3knz s PRO 212 CO 0.00 -2.30 2.10 0.00 0.04 0.00 0.00 177.00 176.84 3knz h ALA 213 N -1.60 2.17 0.00 8.56 0.00 -1.96 -0.55 119.26 125.88 3knz h ALA 213 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3knz h ALA 213 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3knz h ALA 213 CO 0.51 -0.23 0.00 1.79 0.00 0.00 0.00 179.25 181.32 3knz h THR 214 N 0.00 0.00 -0.10 0.00 1.35 -2.02 -2.62 112.91 109.52 3knz h THR 214 Ca 0.09 -0.14 -0.08 0.00 -0.55 0.00 0.00 66.41 65.73 3knz h THR 214 Cb 0.36 0.91 -0.08 0.00 -1.73 0.00 0.00 68.15 67.61 3knz h THR 214 CO -0.00 0.00 -0.58 0.18 -0.25 0.00 0.00 175.52 174.87 3knz n LEU 215 N -2.63 2.88 -0.01 3.87 4.77 -0.22 -4.82 117.00 120.84 3knz n LEU 215 Ca -0.01 -3.90 -0.12 0.00 -0.03 0.00 0.00 56.01 51.96 3knz n LEU 215 Cb 0.13 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 3knz n LEU 215 CO 0.18 1.44 0.80 0.15 -1.33 0.00 0.00 177.39 178.63 3knz h PHE 216 N 1.17 0.13 -0.46 -1.77 3.57 -1.47 -1.97 116.94 116.14 3knz h PHE 216 Ca 0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3knz h PHE 216 Cb 1.13 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 3knz h PHE 216 CO 0.73 0.28 0.31 0.78 -2.23 0.00 0.00 178.31 178.18 3knz h GLY 217 N -0.06 0.61 0.92 2.40 0.00 -1.85 -0.66 103.07 104.44 3knz h GLY 217 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3knz h GLY 217 CO -0.00 0.20 -0.16 -0.84 0.00 0.00 0.00 176.54 175.74 3knz h THR 218 N 0.56 0.70 -0.25 4.70 2.02 -1.76 -0.39 112.91 118.48 3knz h THR 218 Ca 0.18 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 3knz h THR 218 Cb 0.04 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3knz h THR 218 CO -0.04 0.03 -0.13 -0.37 0.37 0.00 0.00 175.52 175.38 3knz h VAL 219 N -0.52 1.22 -0.08 3.16 -1.51 -0.87 0.72 116.25 118.37 3knz h VAL 219 Ca -0.04 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 64.46 3knz h VAL 219 Cb 0.39 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3knz h VAL 219 CO 0.07 0.31 0.02 1.56 -1.23 0.00 0.00 177.57 178.30 3knz h GLN 220 N 0.39 0.12 -0.57 5.19 1.08 -1.02 0.07 115.11 120.38 3knz h GLN 220 Ca 0.07 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 3knz h GLN 220 Cb 0.46 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 3knz h GLN 220 CO 0.03 0.32 0.12 1.49 -0.95 0.00 0.00 178.83 179.84 3knz h GLU 221 N -0.09 0.92 -0.16 1.46 4.57 -0.78 -0.89 114.58 119.60 3knz h GLU 221 Ca 0.02 -0.23 0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3knz h GLU 221 Cb 0.25 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3knz h GLU 221 CO 0.00 0.86 -0.00 0.78 -1.18 0.00 0.00 179.01 179.47 3knz h GLY 222 N 0.82 0.15 1.01 1.92 0.00 -0.79 -1.05 103.07 105.12 3knz h GLY 222 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3knz h GLY 222 CO 0.00 -0.03 0.52 0.00 0.00 0.00 0.00 176.54 177.03 3knz h ALA 223 N 1.13 1.01 -0.26 3.60 0.00 -0.71 -2.97 119.26 121.07 3knz h ALA 223 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3knz h ALA 223 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3knz h ALA 223 CO -0.12 0.44 0.06 1.25 0.00 0.00 0.00 179.25 180.88 3knz h LEU 224 N 1.09 0.40 -2.03 0.00 5.85 -0.78 -1.44 115.31 118.39 3knz h LEU 224 Ca 0.29 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3knz h LEU 224 Cb -0.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3knz h LEU 224 CO -0.06 0.54 0.00 0.29 -0.34 0.00 0.00 178.44 178.87 3knz n LYS 225 N -4.70 0.46 0.00 1.25 4.76 -0.43 -0.65 118.16 118.85 3knz n LYS 225 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3knz n LYS 225 Cb 0.19 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 0.79 0.00 -0.08 -0.35 7.94 -0.54 -1.38 117.00 123.37 3knz n LEU 227 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3knz n LEU 227 Cb 0.23 0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.48 3knz n LEU 227 CO 0.00 0.00 1.09 -0.08 -1.11 0.00 0.00 177.39 177.29 3knz h GLU 228 N 0.00 0.70 0.02 1.96 4.81 -1.13 -0.71 114.58 120.23 3knz h GLU 228 Ca 0.00 -0.08 -0.36 0.00 -0.13 0.00 0.00 59.36 58.78 3knz h GLU 228 Cb 0.00 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3knz h GLU 228 CO 0.00 0.55 -2.05 2.41 -0.73 0.00 0.00 179.01 179.19 3knz n THR 229 N -4.38 1.57 0.16 0.32 -1.04 -0.48 -4.54 114.28 105.89 3knz n THR 229 Ca 0.04 -0.36 0.06 0.00 -2.04 0.00 0.00 64.05 61.75 3knz n THR 229 Cb 0.13 -1.82 0.06 0.00 -1.82 0.00 0.00 70.33 66.88 3knz n THR 229 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3knz h LEU 230 N -0.62 0.00 1.11 -4.42 3.38 -1.76 -3.48 115.31 109.51 3knz h LEU 230 Ca -0.52 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.25 3knz h LEU 230 Cb 1.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 3knz h LEU 230 CO -0.21 0.32 -0.23 0.54 0.09 0.00 0.00 178.44 178.95 3knz n ARG 231 N -3.14 -0.76 -4.21 1.13 5.12 -0.27 -5.03 116.66 109.51 3knz n ARG 231 Ca 0.02 0.60 -0.15 0.00 -1.93 0.00 0.00 57.85 56.39 3knz n ARG 231 Cb 0.67 -4.61 -0.11 0.00 -1.16 0.00 0.00 32.46 27.25 3knz n ARG 231 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knz n PRO 233 N 0.32 2.51 -3.71 0.00 -0.02 -1.26 -4.35 135.00 128.49 3knz n PRO 233 Ca -0.14 0.89 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3knz n PRO 233 Cb 0.59 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 3knz n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3knz s VAL 234 N 0.21 -0.10 0.05 -1.45 1.01 -1.26 -1.81 120.40 117.06 3knz s VAL 234 Ca 0.68 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.84 3knz s VAL 234 Cb -0.55 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3knz s VAL 234 CO 0.46 0.06 -0.13 -0.44 0.00 0.00 0.00 175.10 175.04 3knz s SER 235 N 1.48 1.56 -0.13 3.32 0.01 -0.77 -4.70 113.70 114.48 3knz s SER 235 Ca -0.08 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.67 3knz s SER 235 Cb -0.10 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.07 3knz s SER 235 CO -0.10 -0.04 -0.20 -0.83 0.41 0.00 0.00 173.24 172.48 3knz s GLY 236 N -1.43 1.40 0.10 3.44 0.00 -1.26 0.01 107.32 109.57 3knz s GLY 236 Ca -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.77 3knz s GLY 236 CO 0.02 -0.16 -0.19 -0.19 0.00 0.00 0.00 173.10 172.58 3knz s TYR 237 N 0.56 1.61 0.37 1.90 1.51 -0.03 -4.65 117.35 118.63 3knz s TYR 237 Ca -0.12 -0.44 -0.26 0.00 -1.01 0.00 0.00 57.07 55.24 3knz s TYR 237 Cb -0.17 -0.88 -0.09 0.00 -0.11 0.00 0.00 41.96 40.71 3knz s TYR 237 CO 0.04 0.17 1.13 -2.00 -1.11 0.00 0.00 175.55 173.77 3knz s GLU 238 N -1.93 4.22 0.15 -0.62 -6.30 -1.26 -2.97 118.70 109.98 3knz s GLU 238 Ca 0.05 1.76 -0.25 0.00 -2.50 0.00 0.00 54.97 54.02 3knz s GLU 238 Cb -0.10 -2.76 0.00 0.00 0.00 0.00 0.00 34.13 31.28 3knz s GLU 238 CO 0.04 -0.15 1.60 0.35 0.02 0.00 0.00 175.26 177.11 3knz h PHE 239 N 2.88 -0.99 -0.29 5.30 3.57 -0.86 -1.37 116.94 125.18 3knz h PHE 239 Ca -0.48 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3knz h PHE 239 Cb 1.22 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 3knz h PHE 239 CO 0.57 -0.41 -0.09 0.93 -2.23 0.00 0.00 178.31 177.07 3knz h GLU 240 N -0.35 0.48 -0.39 1.11 4.39 -1.92 -1.43 114.58 116.47 3knz h GLU 240 Ca 0.13 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3knz h GLU 240 Cb 0.56 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3knz h GLU 240 CO -0.45 0.58 -0.14 0.93 -1.16 0.00 0.00 179.01 178.76 3knz h GLU 241 N 0.45 0.70 -0.38 2.33 4.39 -1.85 0.04 114.58 120.26 3knz h GLU 241 Ca 0.09 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3knz h GLU 241 Cb 0.44 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3knz h GLU 241 CO 0.02 0.81 0.15 0.35 -1.16 0.00 0.00 179.01 179.18 3knz h PHE 242 N 0.63 0.57 -0.03 4.33 3.57 -0.62 -1.66 116.94 123.73 3knz h PHE 242 Ca 0.11 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3knz h PHE 242 Cb 0.60 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3knz h PHE 242 CO 0.03 0.52 0.01 0.82 -2.23 0.00 0.00 178.31 177.46 3knz h ILE 243 N 0.46 1.13 -0.88 1.41 1.08 -1.00 0.36 117.51 120.06 3knz h ILE 243 Ca 0.13 -0.38 0.09 0.00 -0.39 0.00 0.00 64.86 64.30 3knz h ILE 243 Cb 0.19 1.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 3knz h ILE 243 CO -0.01 0.10 0.57 -0.74 -0.69 0.00 0.00 178.15 177.38 3knz h HIS 244 N -0.10 0.96 -0.26 1.37 2.76 -0.92 -2.45 115.15 116.51 3knz h HIS 244 Ca 0.01 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 3knz h HIS 244 Cb 0.16 -0.31 -0.09 0.00 1.55 0.00 0.00 27.41 28.72 3knz h HIS 244 CO -0.02 0.46 -0.24 0.41 -1.30 0.00 0.00 177.93 177.24 3knz n GLY 245 N -1.41 5.05 0.31 5.26 0.00 -0.63 -4.86 105.19 108.92 3knz n GLY 245 Ca 0.14 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 1.04 0.40 0.00 -0.61 6.09 0.22 -1.59 117.51 123.06 3knz h ILE 246 Ca 0.16 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.54 3knz h ILE 246 Cb 1.44 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.78 3knz h ILE 246 CO 0.29 0.06 0.00 -1.22 -3.07 0.00 0.00 178.15 174.21 3knz n TYR 247 N -5.11 0.29 1.01 2.19 4.01 -1.26 -1.54 117.16 116.74 3knz n TYR 247 Ca 0.22 0.10 0.11 0.00 -0.16 0.00 0.00 57.90 58.17 3knz n TYR 247 Cb 0.69 -0.66 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 3knz n TYR 247 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3knz n ASN 248 N -1.75 1.59 -0.17 7.72 3.02 -0.62 -4.42 115.26 120.63 3knz n ASN 248 Ca 0.05 -1.28 0.02 0.00 -0.03 0.00 0.00 54.58 53.33 3knz n ASN 248 Cb 0.27 0.67 0.03 0.00 -0.61 0.00 0.00 39.78 40.14 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 -0.63 2.32 -3.63 5.41 0.00 -0.65 -5.06 120.51 118.27 3knz n ALA 249 Ca 0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 3knz n ALA 249 Cb 0.41 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.58 -0.36 0.34 0.00 2.19 -0.59 -4.91 117.98 114.07 3knz s PHE 250 Ca 0.05 0.83 0.04 0.00 0.33 0.00 0.00 56.93 58.18 3knz s PHE 250 Cb 0.03 0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 42.13 3knz s PHE 250 CO 0.05 -0.21 0.37 0.54 1.83 0.00 0.00 175.22 177.80 3knz s ASN 251 N -0.13 1.42 0.58 6.13 2.20 -1.26 -4.63 114.94 119.25 3knz s ASN 251 Ca 0.03 -1.67 0.28 0.00 -0.94 0.00 0.00 52.86 50.56 3knz s ASN 251 Cb -0.04 0.61 1.61 0.00 -2.00 0.00 0.00 41.25 41.44 3knz s ASN 251 CO -0.06 -1.18 2.08 0.00 -2.94 0.00 0.00 177.10 174.99 3knz h ALA 252 N 2.10 1.89 0.00 3.54 0.00 -2.02 -1.38 119.26 123.39 3knz h ALA 252 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3knz h ALA 252 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3knz h ALA 252 CO 0.37 -0.35 -0.07 1.04 0.00 0.00 0.00 179.25 180.24 3knz n GLN 253 N -3.85 0.02 -2.43 0.00 1.13 -1.26 -4.90 117.38 106.09 3knz n GLN 253 Ca 0.03 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.81 3knz n GLN 253 Cb 0.37 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 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 -3.13 6.33 0.02 1.08 0.01 -0.52 -2.07 113.70 115.42 3knz s SER 254 Ca 0.13 1.16 0.08 0.00 1.31 0.00 0.00 55.95 58.63 3knz s SER 254 Cb 0.18 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3knz s SER 254 CO 0.56 -0.63 -0.23 0.00 0.41 0.00 0.00 173.24 173.34 3knz s ALA 255 N -2.79 2.35 -0.11 1.44 0.00 -0.87 -4.83 121.76 116.95 3knz s ALA 255 Ca 0.51 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3knz s ALA 255 Cb -0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 3knz s ALA 255 CO 0.44 0.54 -0.19 -1.17 0.00 0.00 0.00 175.76 175.38 3knz s LEU 256 N -1.10 2.35 0.38 0.00 2.96 -0.30 -0.55 118.68 122.42 3knz s LEU 256 Ca 0.12 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3knz s LEU 256 Cb -0.10 -1.50 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 3knz s LEU 256 CO 0.02 0.16 0.09 -0.63 -1.32 0.00 0.00 176.35 174.67 3knz s ILE 257 N 0.37 2.42 -0.12 6.68 1.01 -0.43 0.10 121.20 131.23 3knz s ILE 257 Ca -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 60.65 58.61 3knz s ILE 257 Cb -0.17 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.44 3knz s ILE 257 CO 0.07 -0.09 0.22 -0.76 0.00 0.00 0.00 174.94 174.39 3knz s LEU 259 N -3.80 -0.20 -0.65 2.97 1.43 -0.16 -1.77 118.68 116.49 3knz s LEU 259 Ca 0.38 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 3knz s LEU 259 Cb 0.03 0.52 0.22 0.00 0.03 0.00 0.00 46.19 46.99 3knz s LEU 259 CO 0.21 -0.25 0.66 0.47 0.23 0.00 0.00 176.35 177.67 3knz n ASP 260 N 5.34 3.39 0.27 2.29 9.92 0.63 -4.35 116.55 134.04 3knz n ASP 260 Ca -0.05 -3.34 0.14 0.00 -0.53 0.00 0.00 54.79 51.01 3knz n ASP 260 Cb 0.50 -0.70 0.74 0.00 -0.64 0.00 0.00 41.12 41.02 3knz n ASP 260 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3knz h PRO 261 N 4.57 0.00 -3.47 -0.24 0.13 -1.97 -3.37 132.00 127.65 3knz h PRO 261 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 3knz h PRO 261 Cb 0.70 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.68 3knz h PRO 261 CO 0.78 0.10 -0.24 1.14 -0.23 0.00 0.00 178.00 179.56 3knz s GLN 262 N -4.01 0.89 0.32 0.86 -2.07 -1.26 -4.64 119.66 109.75 3knz s GLN 262 Ca -0.02 -0.69 -0.28 0.00 -1.82 0.00 0.00 55.36 52.55 3knz s GLN 262 Cb 0.12 0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 32.29 3knz s GLN 262 CO 0.56 -0.30 1.28 -2.30 -1.32 0.00 0.00 175.29 173.21 3knz n PRO 263 N 0.19 2.05 -3.57 9.60 -0.02 -1.26 -4.98 135.00 137.01 3knz n PRO 263 Ca -0.17 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3knz n PRO 263 Cb 0.61 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.26 0.02 0.17 2.55 -1.08 -1.26 -5.05 116.67 111.76 3knz s ASP 264 Ca 0.57 0.69 -0.15 0.00 -0.52 0.00 0.00 52.55 53.14 3knz s ASP 264 Cb -0.59 1.16 0.09 0.00 -1.46 0.00 0.00 42.92 42.11 3knz s ASP 264 CO 0.61 -0.25 1.79 0.00 0.52 0.00 0.00 175.17 177.83 3knz h ALA 265 N 8.20 0.57 -0.68 3.66 0.00 -1.99 -0.53 119.26 128.49 3knz h ALA 265 Ca -0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3knz h ALA 265 Cb 1.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3knz h ALA 265 CO 0.17 -0.10 0.28 0.00 0.00 0.00 0.00 179.25 179.59 3knz h ARG 266 N 0.48 1.01 -0.32 0.00 3.08 -1.99 0.26 114.38 116.90 3knz h ARG 266 Ca 0.19 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3knz h ARG 266 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3knz h ARG 266 CO -0.12 0.83 -0.20 1.96 -1.07 0.00 0.00 179.97 181.37 3knz h GLN 267 N 0.96 0.69 -0.79 0.04 4.20 -1.93 -2.12 115.11 116.16 3knz h GLN 267 Ca 0.23 -0.32 0.07 0.00 0.06 0.00 0.00 58.65 58.68 3knz h GLN 267 Cb 0.19 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3knz h GLN 267 CO -0.02 0.93 0.47 -0.44 -0.67 0.00 0.00 178.83 179.09 3knz h ASP 268 N 0.45 0.70 -0.43 1.46 3.32 -0.83 -1.25 116.42 119.85 3knz h ASP 268 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3knz h ASP 268 Cb 0.75 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3knz h ASP 268 CO 0.06 0.43 0.21 -0.09 -1.72 0.00 0.00 179.24 178.13 3knz h ARG 269 N 0.83 0.61 -0.39 3.56 9.65 -0.78 -0.01 114.38 127.85 3knz h ARG 269 Ca 0.36 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 3knz h ARG 269 Cb 0.24 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3knz h ARG 269 CO -0.20 0.53 0.24 1.25 2.80 0.00 0.00 179.97 184.59 3knz h LEU 270 N 0.55 0.47 -0.66 3.80 5.85 -0.98 -1.37 115.31 122.97 3knz h LEU 270 Ca 0.15 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3knz h LEU 270 Cb 0.11 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3knz h LEU 270 CO -0.02 0.37 0.39 0.00 -0.34 0.00 0.00 178.44 178.85 3knz h ALA 271 N 1.11 0.86 -0.89 1.25 0.00 -0.96 -0.74 119.26 119.90 3knz h ALA 271 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3knz h ALA 271 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3knz h ALA 271 CO -0.03 0.12 0.51 1.96 0.00 0.00 0.00 179.25 181.80 3knz h GLN 272 N 0.75 1.23 0.02 0.00 4.20 -0.58 -0.04 115.11 120.69 3knz h GLN 272 Ca 0.28 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3knz h GLN 272 Cb 0.08 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3knz h GLN 272 CO -0.13 0.89 -0.01 0.82 -0.67 0.00 0.00 178.83 179.73 3knz h ILE 273 N 1.24 1.46 -0.66 2.54 2.04 -0.80 -3.13 117.51 120.21 3knz h ILE 273 Ca 0.32 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3knz h ILE 273 Cb 0.00 2.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3knz h ILE 273 CO -0.05 0.39 0.38 -0.07 0.00 0.00 0.00 178.15 178.79 3knz h LEU 274 N -0.69 0.80 -1.38 1.44 3.38 -1.15 -2.38 115.31 115.33 3knz h LEU 274 Ca -0.00 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3knz h LEU 274 Cb 0.65 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3knz h LEU 274 CO 0.00 0.63 0.57 1.23 0.09 0.00 0.00 178.44 180.96 3knz h GLY 275 N 0.96 1.06 2.00 0.83 0.00 -1.00 0.22 103.07 107.14 3knz h GLY 275 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3knz h GLY 275 CO -0.04 0.06 -0.19 0.83 0.00 0.00 0.00 176.54 177.20 3knz h GLU 276 N 0.58 0.00 0.01 4.80 4.39 -1.37 -3.24 114.58 119.75 3knz h GLU 276 Ca 0.44 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.78 3knz h GLU 276 Cb 0.85 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 3knz h GLU 276 CO -0.19 0.19 -2.28 0.91 -1.16 0.00 0.00 179.01 176.48 3knz n TRP 277 N -3.73 0.25 -3.83 4.33 7.02 0.52 -5.00 117.44 117.00 3knz n TRP 277 Ca -0.02 0.08 -0.12 0.00 -1.02 0.00 0.00 57.50 56.42 3knz n TRP 277 Cb 0.30 -1.04 -0.11 0.00 -2.42 0.00 0.00 31.31 28.04 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 -2.52 0.03 -2.29 -0.99 -1.32 0.33 -5.02 115.64 103.86 3knz s THR 278 Ca -0.17 -0.27 0.29 0.00 -1.21 0.00 0.00 61.69 60.33 3knz s THR 278 Cb 0.07 -0.34 0.64 0.00 -1.51 0.00 0.00 72.50 71.37 3knz s THR 278 CO 0.76 -0.15 1.89 -0.81 -2.21 0.00 0.00 174.62 174.10 3knz n PRO 279 N 2.36 1.40 -1.76 7.08 -0.04 -1.26 -4.12 135.00 138.66 3knz n PRO 279 Ca -0.17 -0.64 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 3knz n PRO 279 Cb 0.57 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.24 7.83 -4.08 3.54 7.64 -1.26 -4.87 113.62 122.17 3knz n SER 280 Ca 0.20 -2.92 -0.28 0.00 1.01 0.00 0.00 58.87 56.89 3knz n SER 280 Cb 0.28 -1.46 -0.17 0.00 -1.01 0.00 0.00 64.21 61.85 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 0.42 1.51 -0.13 0.44 1.01 -1.26 -1.16 121.20 122.04 3knz s ILE 281 Ca 0.58 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3knz s ILE 281 Cb 0.17 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.32 3knz s ILE 281 CO -0.07 0.44 -0.05 -0.31 0.00 0.00 0.00 174.94 174.94 3knz s TYR 282 N 0.72 1.45 -0.02 3.97 1.51 0.11 -4.71 117.35 120.39 3knz s TYR 282 Ca -0.12 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3knz s TYR 282 Cb -0.16 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 3knz s TYR 282 CO 0.03 -0.54 -0.07 1.03 -1.11 0.00 0.00 175.55 174.89 3knz s ARG 283 N 1.72 2.60 -0.16 -0.62 0.52 -1.26 -3.98 118.95 117.78 3knz s ARG 283 Ca 0.03 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3knz s ARG 283 Cb -0.14 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.83 3knz s ARG 283 CO -0.08 0.62 -0.17 0.42 0.02 0.00 0.00 175.30 176.11 3knz s ILE 284 N -0.92 1.80 0.00 1.52 1.01 -1.26 -0.15 121.20 123.19 3knz s ILE 284 Ca 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3knz s ILE 284 Cb -0.11 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3knz s ILE 284 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3knz n GLY 285 N 4.63 0.79 0.20 6.18 0.00 -0.81 -0.27 105.19 115.91 3knz n GLY 285 Ca -0.19 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.71 -2.80 132.00 129.24 3knz h PRO 286 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3knz h PRO 286 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3knz h PRO 286 CO 0.00 0.35 -0.30 1.04 -0.23 0.00 0.00 178.00 178.86 3knz n GLN 287 N -3.73 1.04 -1.55 0.86 6.02 -1.26 -4.62 117.38 114.14 3knz n GLN 287 Ca -0.01 -2.47 -0.31 0.00 -0.01 0.00 0.00 57.00 54.20 3knz n GLN 287 Cb 0.45 -1.24 0.06 0.00 1.02 0.00 0.00 30.24 30.52 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 -2.26 3.73 0.31 5.09 -7.23 -1.25 -4.97 120.40 113.82 3knz s VAL 288 Ca 0.29 0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 60.77 3knz s VAL 288 Cb 0.27 -3.23 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 3knz s VAL 288 CO -0.02 -0.69 1.39 -0.70 -0.31 0.00 0.00 175.10 174.78 3knz s GLU 289 N -4.81 4.28 -0.51 4.82 2.12 -1.26 -4.82 118.70 118.52 3knz s GLU 289 Ca 0.60 2.31 -0.05 0.00 0.36 0.00 0.00 54.97 58.20 3knz s GLU 289 Cb -0.16 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.17 3knz s GLU 289 CO 0.52 -0.34 2.89 -1.71 -0.54 0.00 0.00 175.26 176.07 3knz n ASN 290 N 1.35 6.50 -4.25 -1.70 5.15 -1.26 -4.59 115.26 116.46 3knz n ASN 290 Ca 0.03 -3.05 -0.30 0.00 -0.60 0.00 0.00 54.58 50.66 3knz n ASN 290 Cb 0.41 -1.29 0.17 0.00 -0.53 0.00 0.00 39.78 38.54 3knz n ASN 290 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3knz s ASN 291 N 0.70 3.29 0.46 1.20 2.20 -1.26 -4.96 114.94 116.57 3knz s ASN 291 Ca 0.60 0.36 0.19 0.00 -0.94 0.00 0.00 52.86 53.07 3knz s ASN 291 Cb 0.34 -0.49 1.13 0.00 -2.00 0.00 0.00 41.25 40.23 3knz s ASN 291 CO -0.16 -2.63 2.00 1.23 -2.94 0.00 0.00 177.10 174.59 3knz h GLY 292 N -1.57 0.00 0.76 0.45 0.00 -2.02 -3.25 103.07 97.44 3knz h GLY 292 Ca -0.45 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3knz h GLY 292 CO 0.43 0.00 -0.50 1.41 0.00 0.00 0.00 176.54 177.88 3knz h LEU 293 N 0.00 0.50-10.36 3.11 3.38 -1.93 -3.46 115.31 106.55 3knz h LEU 293 Ca -0.00 -0.72 -0.48 0.00 0.09 0.00 0.00 57.88 56.77 3knz h LEU 293 Cb 0.37 -0.15 0.14 0.00 0.09 0.00 0.00 40.66 41.11 3knz h LEU 293 CO 0.02 1.14 0.28 0.20 0.09 0.00 0.00 178.44 180.17 3knz s ASN 294 N -6.63 3.79 -0.50 -0.43 0.01 -1.23 -4.58 114.94 105.37 3knz s ASN 294 Ca -0.14 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.46 3knz s ASN 294 Cb 0.04 -2.14 0.13 0.00 0.41 0.00 0.00 41.25 39.69 3knz s ASN 294 CO 0.81 -2.43 0.28 -0.22 -1.51 0.00 0.00 177.10 174.02 3knz s LEU 295 N -6.09 4.93 -0.42 0.60 2.96 0.79 -4.85 118.68 116.60 3knz s LEU 295 Ca 0.63 -2.59 -0.20 0.00 -0.22 0.00 0.00 54.13 51.74 3knz s LEU 295 Cb -0.17 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.78 3knz s LEU 295 CO 0.56 -0.38 0.63 0.21 -1.32 0.00 0.00 176.35 176.05 3knz s ASN 296 N 0.74 6.33 -0.02 3.68 3.84 -1.26 -1.92 114.94 126.34 3knz s ASN 296 Ca 0.14 -0.26 -0.01 0.00 0.21 0.00 0.00 52.86 52.94 3knz s ASN 296 Cb -0.22 -2.31 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 3knz s ASN 296 CO -0.03 -0.73 0.04 0.12 -2.79 0.00 0.00 177.10 173.71 3knz s PHE 297 N 2.76 -0.03 -1.21 0.43 5.36 -1.05 -5.01 117.98 119.22 3knz s PHE 297 Ca 0.22 0.13 -0.21 0.00 -0.96 0.00 0.00 56.93 56.11 3knz s PHE 297 Cb -0.14 -0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.45 3knz s PHE 297 CO 0.18 -0.05 1.87 -1.25 -1.46 0.00 0.00 175.22 174.51 3knz s PRO 298 N 0.35 2.93 0.48 10.12 0.04 -1.26 -3.40 135.00 144.26 3knz s PRO 298 Ca -0.03 -1.38 -0.23 0.00 0.04 0.00 0.00 61.00 59.40 3knz s PRO 298 Cb -0.04 -5.32 -0.07 0.00 0.04 0.00 0.00 34.50 29.11 3knz s PRO 298 CO -0.01 -3.46 1.26 -0.06 0.04 0.00 0.00 177.00 174.77 3knz s PHE 299 N 8.99 2.68 0.38 0.56 0.08 -1.26 -4.90 117.98 124.51 3knz s PHE 299 Ca 0.64 1.46 0.06 0.00 0.12 0.00 0.00 56.93 59.20 3knz s PHE 299 Cb 0.00 -3.58 0.76 0.00 -0.57 0.00 0.00 43.02 39.64 3knz s PHE 299 CO 0.11 -2.07 2.00 0.28 -0.10 0.00 0.00 175.22 175.44 3knz h VAL 300 N 1.86 1.14 -6.11 -0.44 2.07 -1.96 -3.47 116.25 109.34 3knz h VAL 300 Ca -0.50 -0.38 -0.44 0.00 0.82 0.00 0.00 66.70 66.21 3knz h VAL 300 Cb 1.26 0.60 0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3knz h VAL 300 CO 0.60 0.16 -0.76 0.59 0.02 0.00 0.00 177.57 178.18 3knz n ASN 301 N -4.41 -4.14 -4.75 0.57 4.13 -1.26 -4.94 115.26 100.46 3knz n ASN 301 Ca 0.03 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.15 3knz n ASN 301 Cb 0.11 -4.27 -0.03 0.00 -1.54 0.00 0.00 39.78 34.05 3knz n ASN 301 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3knz s ASP 302 N -3.63 6.86 0.43 6.41 -1.08 -1.26 -4.87 116.67 119.53 3knz s ASP 302 Ca 0.45 2.48 0.13 0.00 -0.52 0.00 0.00 52.55 55.09 3knz s ASP 302 Cb -0.22 -2.62 1.02 0.00 -1.46 0.00 0.00 42.92 39.64 3knz s ASP 302 CO 0.80 -0.53 1.99 -0.33 0.52 0.00 0.00 175.17 177.62 3knz h GLU 303 N 4.89 0.40 0.01 4.34 5.08 -2.01 -1.32 114.58 125.98 3knz h GLU 303 Ca -0.46 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.51 3knz h GLU 303 Cb 1.22 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3knz h GLU 303 CO 0.75 0.27 -2.33 -0.25 -1.00 0.00 0.00 179.01 176.44 3knz n ASP 304 N -4.47 0.91 -0.79 1.42 8.00 -1.26 -4.66 116.55 115.69 3knz n ASP 304 Ca 0.09 0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.69 3knz n ASP 304 Cb 0.34 0.29 0.11 0.00 -0.02 0.00 0.00 41.12 41.84 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 -3.00 0.14 0.32 1.24 3.72 -1.17 -4.25 117.46 114.46 3knz n PHE 305 Ca -0.36 -0.09 0.21 0.00 -0.05 0.00 0.00 57.45 57.17 3knz n PHE 305 Cb 1.08 -0.00 1.08 0.00 -0.94 0.00 0.00 39.48 40.70 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 3.56 1.00 -0.35 4.37 0.00 -1.51 -1.76 119.26 124.58 3knz h ALA 306 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3knz h ALA 306 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3knz h ALA 306 CO 0.00 0.00 0.24 -0.39 0.00 0.00 0.00 179.25 179.10 3knz h VAL 307 N 0.00 0.90 0.00 0.00 -1.51 -1.83 0.27 116.25 114.07 3knz h VAL 307 Ca 0.00 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.40 3knz h VAL 307 Cb 0.12 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.03 3knz h VAL 307 CO 0.00 0.03 -0.10 -0.26 -1.23 0.00 0.00 177.57 176.00 3knz h PHE 308 N 0.14 0.00 0.00 5.19 0.04 -1.65 -3.33 116.94 117.34 3knz h PHE 308 Ca 0.16 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 3knz h PHE 308 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 3knz h PHE 308 CO -0.00 0.10 -0.64 0.93 -0.60 0.00 0.00 178.31 178.11 3knz h GLU 309 N 0.00 0.00 0.00 1.51 5.08 -0.65 -3.40 114.58 117.12 3knz h GLU 309 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3knz h GLU 309 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3knz h GLU 309 CO 0.01 0.55 0.00 1.88 -1.00 0.00 0.00 179.01 180.46 3knz h TYR 310 N -1.00 0.00 0.00 4.33 0.05 -1.39 -1.21 116.97 117.74 3knz h TYR 310 Ca -0.13 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.57 3knz h TYR 310 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3knz h TYR 310 CO 0.02 0.00 -0.61 0.97 -1.05 0.00 0.00 178.16 177.49 3knz h ILE 311 N 0.00 0.49 -0.53 -2.88 6.09 -1.78 -3.38 117.51 115.53 3knz h ILE 311 Ca 0.00 -1.75 0.01 0.00 -1.37 0.00 0.00 64.86 61.76 3knz h ILE 311 Cb 0.06 2.14 -0.03 0.00 0.47 0.00 0.00 36.82 39.47 3knz h ILE 311 CO 0.00 0.28 0.34 0.40 -3.07 0.00 0.00 178.15 176.10 3knz h ILE 312 N 0.00 1.10 -0.37 2.19 2.04 -1.43 -0.86 117.51 120.18 3knz h ILE 312 Ca -0.03 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3knz h ILE 312 Cb 1.28 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3knz h ILE 312 CO 0.04 0.12 0.06 -0.65 0.00 0.00 0.00 178.15 177.72 3knz h PRO 313 N 0.68 0.55 -0.32 2.37 0.11 -1.74 -2.44 132.00 131.20 3knz h PRO 313 Ca 0.20 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 3knz h PRO 313 Cb -0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3knz h PRO 313 CO -0.06 0.53 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.83 3knz h LEU 314 N 0.54 0.77 -2.63 2.35 3.38 -1.60 -2.46 115.31 115.65 3knz h LEU 314 Ca 0.12 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3knz h LEU 314 Cb 0.25 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3knz h LEU 314 CO 0.00 1.05 0.00 0.00 0.09 0.00 0.00 178.44 179.58 3knz n GLN 315 N -4.06 0.42 0.00 1.13 6.02 -0.39 -3.02 117.38 117.48 3knz n GLN 315 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3knz n GLN 315 Cb 0.51 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 1.19 0.00 -0.04 1.08 4.77 -0.93 -2.27 117.00 120.80 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 0.21 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.58 3knz n LEU 317 CO 0.00 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.05 3knz h ALA 319 N 1.50 0.38 0.00 0.00 0.00 -1.78 -3.40 119.26 115.96 3knz h ALA 319 Ca 0.14 -1.03 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 3knz h ALA 319 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3knz h ALA 319 CO -0.00 1.26 -1.93 0.44 0.00 0.00 0.00 179.25 179.02 3knz n ILE 320 N -3.33 0.40 1.93 0.00 -6.64 -1.18 -5.01 119.36 105.52 3knz n ILE 320 Ca -0.06 -0.51 0.16 0.00 -1.77 0.00 0.00 62.75 60.57 3knz n ILE 320 Cb 0.98 -0.14 0.89 0.00 -1.44 0.00 0.00 39.64 39.94 3knz n ILE 320 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96