#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knz n LEU -4 N 0.00 0.63 0.08 1.20 -0.00 -1.26 -2.02 117.00 115.64 3knz n LEU -4 Ca 0.00 0.72 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 3knz n LEU -4 Cb 0.00 -0.70 0.32 0.00 -0.00 0.00 0.00 43.42 43.04 3knz n LEU -4 CO 0.00 -0.76 0.82 0.22 -0.00 0.00 0.00 177.39 177.68 3knz h TYR -3 N 0.00 0.33 0.54 1.47 5.03 -2.00 -3.15 116.97 119.19 3knz h TYR -3 Ca 0.00 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 3knz h TYR -3 Cb 0.20 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 38.39 3knz h TYR -3 CO 0.00 0.48 -0.26 0.74 -1.32 0.00 0.00 178.16 177.80 3knz h PHE -2 N 0.28 -0.68 -1.17 -3.82 0.04 -1.82 -2.97 116.94 106.81 3knz h PHE -2 Ca 0.05 -0.02 0.37 0.00 2.80 0.00 0.00 57.97 61.18 3knz h PHE -2 Cb 0.50 0.22 -0.13 0.00 2.20 0.00 0.00 35.95 38.74 3knz h PHE -2 CO 0.01 -0.35 0.73 1.96 -0.60 0.00 0.00 178.31 180.06 3knz h GLN -1 N -1.02 0.19 -0.06 1.51 7.50 -1.70 0.53 115.11 122.05 3knz h GLN -1 Ca -0.07 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.06 3knz h GLN -1 Cb 0.63 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.12 3knz h GLN -1 CO 0.12 0.13 0.00 0.41 -1.50 0.00 0.00 178.83 177.99 3knz n GLY 0 N -1.45 -0.12 1.54 3.46 0.00 -1.12 -2.81 105.19 104.69 3knz n GLY 0 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.30 0.00 0.05 1.61 3.02 0.18 -2.35 115.26 117.47 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 0.02 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.27 -0.17 3.52 1.02 -1.12 -4.36 120.64 119.79 3knz n GLU 3 Ca 0.00 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.18 3knz n GLU 3 Cb 0.00 -1.67 0.07 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.91 -0.97 2.62 2.02 -1.75 -0.87 112.91 114.86 3knz h THR 4 Ca 0.00 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3knz h THR 4 Cb 0.72 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3knz h THR 4 CO 0.00 0.09 0.64 -0.65 0.37 0.00 0.00 175.52 175.97 3knz h PRO 5 N 0.47 1.25 -0.44 6.66 0.11 -1.88 -0.59 132.00 137.58 3knz h PRO 5 Ca 0.24 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 3knz h PRO 5 Cb 0.20 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3knz h PRO 5 CO -0.20 0.83 -0.23 1.25 -0.21 0.00 0.00 178.00 179.44 3knz h LEU 6 N 1.29 0.92 -0.85 2.35 5.85 -1.68 -1.77 115.31 121.41 3knz h LEU 6 Ca 0.37 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3knz h LEU 6 Cb -0.09 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3knz h LEU 6 CO -0.09 1.11 0.45 0.03 -0.34 0.00 0.00 178.44 179.60 3knz h ARG 7 N 0.78 1.20 -0.51 1.25 2.47 -0.52 -2.17 114.38 116.87 3knz h ARG 7 Ca 0.10 -0.15 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 3knz h ARG 7 Cb 0.78 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3knz h ARG 7 CO 0.06 0.89 -0.17 -0.07 0.56 0.00 0.00 179.97 181.24 3knz h LEU 8 N 1.19 1.03 -0.55 3.04 3.38 -0.92 -3.01 115.31 119.47 3knz h LEU 8 Ca 0.30 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3knz h LEU 8 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3knz h LEU 8 CO -0.05 1.17 0.30 -0.07 0.09 0.00 0.00 178.44 179.89 3knz h LEU 9 N 0.88 0.69 -2.84 1.67 3.38 -1.11 -3.11 115.31 114.88 3knz h LEU 9 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3knz h LEU 9 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3knz h LEU 9 CO 0.06 0.58 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 3knz n GLU 10 N -4.61 0.00 0.00 1.13 1.02 -0.83 -3.56 120.64 113.79 3knz n GLU 10 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3knz n GLU 10 Cb 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.18 0.00 -0.83 -4.62 4.77 -1.18 -2.89 117.00 113.43 3knz n LEU 12 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3knz n LEU 12 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3knz n LEU 12 CO 0.00 0.00 0.61 0.35 -1.33 0.00 0.00 177.39 177.02 3knz n THR 13 N 0.00 0.00 -2.76 -5.08 -2.24 -1.23 -4.94 114.28 98.02 3knz n THR 13 Ca 0.00 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 3knz n THR 13 Cb 0.00 1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.08 4.78 -0.16 -0.78 -0.21 -1.14 -5.02 119.66 115.06 3knz s GLN 14 Ca 0.28 1.45 -0.27 0.00 0.02 0.00 0.00 55.36 56.84 3knz s GLN 14 Cb 0.20 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.88 3knz s GLN 14 CO 0.35 0.42 0.89 0.95 -2.12 0.00 0.00 175.29 175.77 3knz s THR 15 N -0.76 4.85 -0.86 -0.19 -4.23 -1.26 -4.98 115.64 108.20 3knz s THR 15 Ca 0.43 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.69 3knz s THR 15 Cb -0.25 -4.19 0.22 0.00 1.34 0.00 0.00 72.50 69.62 3knz s THR 15 CO 0.31 0.01 0.79 0.54 -0.54 0.00 0.00 174.62 175.73 3knz n ARG 16 N 5.23 2.65 0.05 3.99 5.12 -1.26 -4.86 116.66 127.58 3knz n ARG 16 Ca 0.06 -4.51 0.06 0.00 -1.93 0.00 0.00 57.85 51.53 3knz n ARG 16 Cb 0.49 -2.38 0.49 0.00 -1.16 0.00 0.00 32.46 29.89 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 5.64 0.38 -0.36 5.56 4.39 -1.99 -1.70 114.58 126.51 3knz h GLU 17 Ca 0.17 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3knz h GLU 17 Cb 0.77 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3knz h GLU 17 CO 0.87 0.25 0.22 0.38 -1.16 0.00 0.00 179.01 179.58 3knz h ASP 18 N 0.40 0.43 -0.68 1.42 2.03 -1.91 0.26 116.42 118.37 3knz h ASP 18 Ca 0.13 -0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 56.37 3knz h ASP 18 Cb 0.05 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.41 3knz h ASP 18 CO -0.03 0.34 0.34 -0.07 -1.03 0.00 0.00 179.24 178.79 3knz h LEU 19 N 0.47 0.87 -0.49 0.15 3.38 -1.69 -2.33 115.31 115.67 3knz h LEU 19 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3knz h LEU 19 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3knz h LEU 19 CO -0.03 0.75 0.18 -0.50 0.09 0.00 0.00 178.44 178.93 3knz h TRP 20 N 0.93 0.76 -0.66 1.13 4.06 -0.77 0.21 115.95 121.61 3knz h TRP 20 Ca 0.23 -0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.17 3knz h TRP 20 Cb 0.10 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 27.98 3knz h TRP 20 CO 0.00 0.65 0.39 0.00 -3.56 0.00 0.00 178.44 175.92 3knz h ARG 21 N 0.65 0.71 -0.73 0.49 3.08 -0.31 0.29 114.38 118.56 3knz h ARG 21 Ca 0.16 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3knz h ARG 21 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3knz h ARG 21 CO -0.01 0.47 0.22 0.00 -1.07 0.00 0.00 179.97 179.58 3knz h ALA 22 N 1.32 1.02 -0.57 0.04 0.00 -1.16 0.67 119.26 120.59 3knz h ALA 22 Ca 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3knz h ALA 22 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3knz h ALA 22 CO -0.15 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.80 3knz h ALA 23 N 1.16 0.76 -0.13 0.00 0.00 0.04 -1.21 119.26 119.88 3knz h ALA 23 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3knz h ALA 23 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3knz h ALA 23 CO -0.01 0.55 0.02 0.37 0.00 0.00 0.00 179.25 180.19 3knz h GLN 24 N 0.86 0.22 -0.70 0.00 4.15 -0.13 -2.61 115.11 116.90 3knz h GLN 24 Ca 0.17 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3knz h GLN 24 Cb 0.49 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3knz h GLN 24 CO 0.02 0.40 0.42 0.00 -1.93 0.00 0.00 178.83 177.74 3knz h ALA 25 N 0.81 1.42 -0.04 3.38 0.00 -0.79 -1.53 119.26 122.51 3knz h ALA 25 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3knz h ALA 25 Cb 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3knz h ALA 25 CO 0.00 0.50 0.02 1.25 0.00 0.00 0.00 179.25 181.02 3knz h LEU 26 N 0.96 0.06 -0.86 0.00 6.46 -1.14 -1.01 115.31 119.78 3knz h LEU 26 Ca 0.25 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 3knz h LEU 26 Cb -0.04 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3knz h LEU 26 CO -0.05 0.18 -0.20 0.74 -0.62 0.00 0.00 178.44 178.49 3knz h THR 27 N -0.07 1.26 0.08 1.05 2.02 -1.12 -3.12 112.91 113.01 3knz h THR 27 Ca 0.01 -1.23 -0.26 0.00 0.77 0.00 0.00 66.41 65.70 3knz h THR 27 Cb 0.13 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3knz h THR 27 CO -0.00 0.40 -1.25 -0.33 0.37 0.00 0.00 175.52 174.71 3knz h GLU 28 N 0.56 0.17 -1.02 6.66 5.08 -1.24 -3.37 114.58 121.42 3knz h GLU 28 Ca 0.09 -0.29 -0.47 0.00 -1.00 0.00 0.00 59.36 57.68 3knz h GLU 28 Cb 0.64 0.11 -0.26 0.00 0.50 0.00 0.00 28.75 29.74 3knz h GLU 28 CO 0.05 1.10 0.60 0.54 -1.00 0.00 0.00 179.01 180.29 3knz n ARG 29 N -3.44 2.13 -3.99 2.33 1.74 -0.39 -4.95 116.66 110.10 3knz n ARG 29 Ca -0.08 -2.62 -0.26 0.00 -0.77 0.00 0.00 57.85 54.12 3knz n ARG 29 Cb 1.00 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.86 -0.21 3.71 -0.13 0.00 -1.24 -4.94 105.19 101.51 3knz n GLY 30 Ca 0.52 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.00 4.70 -0.75 1.61 1.01 -1.18 -4.69 120.40 117.10 3knz s VAL 31 Ca 0.01 1.94 0.18 0.00 0.00 0.00 0.00 61.98 64.10 3knz s VAL 31 Cb -0.00 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 3knz s VAL 31 CO 0.90 0.14 0.72 0.35 0.00 0.00 0.00 175.10 177.21 3knz n THR 32 N 3.97 0.00 -3.47 3.92 -2.24 0.17 -4.97 114.28 111.67 3knz n THR 32 Ca 0.07 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 3knz n THR 32 Cb 0.50 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.76 1.04 -0.10 -0.78 1.70 -1.16 -4.31 118.95 112.57 3knz s ARG 33 Ca 0.05 -0.33 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 3knz s ARG 33 Cb 0.13 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 3knz s ARG 33 CO 0.74 -0.44 -0.03 0.42 -1.08 0.00 0.00 175.30 174.91 3knz s ILE 34 N -3.22 4.01 -0.24 4.99 1.09 -0.25 -1.03 121.20 126.56 3knz s ILE 34 Ca 0.02 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.24 3knz s ILE 34 Cb -0.01 -2.70 0.06 0.00 -1.06 0.00 0.00 42.46 38.75 3knz s ILE 34 CO -0.09 0.57 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.59 3knz s ILE 35 N -0.48 1.91 -0.24 2.92 1.01 -0.28 -0.32 121.20 125.72 3knz s ILE 35 Ca 0.08 -1.39 -0.14 0.00 0.00 0.00 0.00 60.65 59.20 3knz s ILE 35 Cb -0.12 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3knz s ILE 35 CO 0.02 0.01 0.32 -0.76 0.00 0.00 0.00 174.94 174.53 3knz s LEU 36 N 1.23 4.10 0.03 2.97 1.43 0.35 -0.67 118.68 128.12 3knz s LEU 36 Ca -0.06 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3knz s LEU 36 Cb -0.19 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 3knz s LEU 36 CO -0.06 -0.08 -0.13 0.28 0.23 0.00 0.00 176.35 176.59 3knz s THR 37 N 1.53 1.04 -3.19 5.49 -1.32 -0.66 -2.11 115.64 116.42 3knz s THR 37 Ca 0.14 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 3knz s THR 37 Cb -0.15 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 3knz s THR 37 CO 0.08 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 3knz n GLY 38 N 2.01 -1.51 3.24 6.08 0.00 -1.17 -1.46 105.19 112.39 3knz n GLY 38 Ca -0.18 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.28 1.57 0.83 1.61 0.01 -1.26 -4.32 113.70 108.87 3knz s SER 39 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 3knz s SER 39 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3knz s SER 39 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 3knz n GLY 40 N -0.20 2.87 0.37 3.44 0.00 -1.26 -1.97 105.19 108.44 3knz n GLY 40 Ca -0.09 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.81 -0.22 2.61 2.02 -1.98 -0.48 112.91 115.68 3knz h THR 41 Ca 0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3knz h THR 41 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3knz h THR 41 CO 0.00 0.14 0.11 0.28 0.37 0.00 0.00 175.52 176.42 3knz h SER 42 N 0.75 0.28 -0.70 4.18 0.02 -1.72 -0.05 113.55 116.31 3knz h SER 42 Ca 0.49 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3knz h SER 42 Cb 0.75 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 3knz h SER 42 CO -0.25 0.31 0.46 0.22 -1.14 0.00 0.00 176.83 176.43 3knz h TYR 43 N 0.23 0.86 -0.46 3.45 3.20 -0.94 -1.79 116.97 121.52 3knz h TYR 43 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3knz h TYR 43 Cb 0.10 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3knz h TYR 43 CO -0.03 0.53 0.10 0.45 -1.64 0.00 0.00 178.16 177.57 3knz h HIS 44 N 0.92 0.79 -0.91 -3.82 3.86 -0.91 -0.96 115.15 114.12 3knz h HIS 44 Ca 0.26 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.48 3knz h HIS 44 Cb -0.07 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.11 3knz h HIS 44 CO -0.03 0.73 0.59 0.78 0.86 0.00 0.00 177.93 180.85 3knz h GLY 45 N 0.62 1.33 0.84 2.45 0.00 -0.69 0.66 103.07 108.28 3knz h GLY 45 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3knz h GLY 45 CO 0.00 0.18 0.01 0.00 0.00 0.00 0.00 176.54 176.73 3knz h ALA 46 N 1.56 0.30 -0.45 3.60 0.00 -0.78 -2.29 119.26 121.20 3knz h ALA 46 Ca 0.43 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3knz h ALA 46 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3knz h ALA 46 CO -0.20 0.01 0.22 -0.07 0.00 0.00 0.00 179.25 179.21 3knz h LEU 47 N 0.17 0.31 -1.27 0.00 3.38 0.01 -1.62 115.31 116.29 3knz h LEU 47 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3knz h LEU 47 Cb 0.38 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3knz h LEU 47 CO 0.01 0.22 0.47 0.74 0.09 0.00 0.00 178.44 179.97 3knz h THR 48 N 0.44 1.19 -0.01 0.22 2.02 -0.81 -2.92 112.91 113.04 3knz h THR 48 Ca 0.20 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3knz h THR 48 Cb 0.12 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3knz h THR 48 CO -0.15 0.19 -0.40 0.00 0.37 0.00 0.00 175.52 175.53 3knz n ALA 49 N -2.43 3.39 -0.04 6.16 0.00 -0.87 -4.62 120.51 122.10 3knz n ALA 49 Ca 0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 3knz n ALA 49 Cb 0.04 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 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 1.34 -0.49 -0.36 0.00 2.43 -1.09 -2.64 114.38 113.56 3knz h ARG 50 Ca 0.00 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3knz h ARG 50 Cb 0.58 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 3knz h ARG 50 CO 0.00 -0.33 0.03 1.15 -1.51 0.00 0.00 179.97 179.31 3knz h THR 51 N -0.51 0.76 0.00 0.20 2.02 -1.82 -0.33 112.91 113.24 3knz h THR 51 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3knz h THR 51 Cb 0.65 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3knz h THR 51 CO -0.48 0.02 0.00 0.33 0.37 0.00 0.00 175.52 175.77 3knz n PHE 52 N -5.15 0.00 0.00 3.16 7.35 -1.00 -1.86 117.46 119.97 3knz n PHE 52 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3knz n PHE 52 Cb 0.18 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.98 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 0.66 0.00 0.18 -4.13 6.02 -0.13 -2.35 117.38 117.62 3knz n GLN 54 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3knz n GLN 54 Cb 0.00 0.00 -0.07 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 -0.50 0.00 -1.09 2.43 -1.63 0.83 114.38 114.42 3knz h ARG 55 Ca 0.00 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3knz h ARG 55 Cb 0.00 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3knz h ARG 55 CO 0.00 -0.33 -0.22 -1.49 -1.51 0.00 0.00 179.97 176.42 3knz h TRP 56 N -0.52 0.00 0.00 2.20 4.06 -1.74 -3.08 115.95 116.88 3knz h TRP 56 Ca -0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 3knz h TRP 56 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3knz h TRP 56 CO -0.14 0.00 -1.01 0.00 -3.56 0.00 0.00 178.44 173.72 3knz n ALA 58 N -2.28 -0.50 -2.29 0.00 0.00 0.28 -4.92 120.51 110.79 3knz n ALA 58 Ca -0.04 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3knz n ALA 58 Cb 0.71 -1.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 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 -4.77 2.46 0.54 0.00 1.43 -1.19 -5.06 118.68 112.08 3knz s LEU 59 Ca 0.02 -0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 3knz s LEU 59 Cb -0.01 -0.06 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 3knz s LEU 59 CO 0.02 -0.43 1.28 -2.84 0.23 0.00 0.00 176.35 174.61 3knz s PRO 60 N -3.42 3.24 -0.15 1.29 0.02 -1.26 -4.46 135.00 130.26 3knz s PRO 60 Ca 0.07 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.13 3knz s PRO 60 Cb 0.03 -2.22 0.04 0.00 0.02 0.00 0.00 34.50 32.36 3knz s PRO 60 CO -0.04 -1.05 -0.06 0.08 -0.33 0.00 0.00 177.00 175.60 3knz s VAL 61 N -1.41 1.05 0.09 3.83 1.01 -1.26 -1.08 120.40 122.63 3knz s VAL 61 Ca 0.71 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3knz s VAL 61 Cb -0.36 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3knz s VAL 61 CO 0.42 0.20 0.37 -1.81 0.00 0.00 0.00 175.10 174.27 3knz s ASP 62 N 1.67 6.55 -0.13 3.32 1.01 0.56 -4.99 116.67 124.67 3knz s ASP 62 Ca 0.02 0.67 -0.01 0.00 0.71 0.00 0.00 52.55 53.94 3knz s ASP 62 Cb -0.14 -2.13 0.03 0.00 1.01 0.00 0.00 42.92 41.69 3knz s ASP 62 CO -0.08 0.14 -0.05 -0.69 0.21 0.00 0.00 175.17 174.70 3knz s VAL 63 N -1.48 0.91 0.16 -1.27 1.01 -1.26 -0.50 120.40 117.97 3knz s VAL 63 Ca 0.35 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3knz s VAL 63 Cb -0.13 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3knz s VAL 63 CO 0.20 0.23 0.44 0.00 0.00 0.00 0.00 175.10 175.98 3knz s TRP 65 N -3.86 3.16 0.33 0.00 0.51 -1.26 -3.06 118.94 114.76 3knz s TRP 65 Ca 0.08 1.61 0.09 0.00 -2.12 0.00 0.00 56.10 55.77 3knz s TRP 65 Cb 0.01 -3.06 0.85 0.00 -0.81 0.00 0.00 33.47 30.46 3knz s TRP 65 CO -0.06 -0.63 1.78 -1.35 -0.51 0.00 0.00 176.95 176.19 3knz h PRO 66 N 2.02 0.63 -2.35 4.98 0.11 -1.89 -3.30 132.00 132.21 3knz h PRO 66 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3knz h PRO 66 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3knz h PRO 66 CO 0.61 0.42 0.12 1.97 -0.21 0.00 0.00 178.00 180.91 3knz n PHE 67 N -4.73 0.00 -2.45 0.65 1.16 -1.26 -4.53 117.46 106.30 3knz n PHE 67 Ca 0.24 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.48 3knz n PHE 67 Cb 0.65 -0.51 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 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 2.34 0.00 -4.93 5.98 4.77 -1.25 -5.03 117.00 118.89 3knz n LEU 69 Ca 0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.76 3knz n LEU 69 Cb 0.19 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 3knz n LEU 69 CO 0.10 0.00 0.74 1.51 -1.33 0.00 0.00 177.39 178.41 3knz s ASP 70 N -2.18 4.17 0.23 -1.43 3.84 -1.26 -4.85 116.67 115.19 3knz s ASP 70 Ca 0.00 0.41 -0.07 0.00 -0.00 0.00 0.00 52.55 52.88 3knz s ASP 70 Cb 0.00 -0.80 0.23 0.00 -1.38 0.00 0.00 42.92 40.97 3knz s ASP 70 CO 0.00 -2.06 1.90 0.44 -0.00 0.00 0.00 175.17 175.45 3knz h ASP 71 N -1.04 1.00 -0.12 2.11 3.32 -1.95 -1.18 116.42 118.55 3knz h ASP 71 Ca -0.44 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3knz h ASP 71 Cb 1.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3knz h ASP 71 CO 0.53 0.71 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.52 3knz h GLU 72 N 1.17 0.50 -0.17 3.56 4.57 -1.98 0.19 114.58 122.42 3knz h GLU 72 Ca 0.34 -0.15 -0.21 0.00 -1.18 0.00 0.00 59.36 58.15 3knz h GLU 72 Cb -0.09 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3knz h GLU 72 CO -0.09 0.64 -0.72 1.15 -1.18 0.00 0.00 179.01 178.82 3knz h THR 73 N 0.46 1.30 0.00 0.32 2.02 -1.82 -2.30 112.91 112.89 3knz h THR 73 Ca 0.08 -1.95 -0.07 0.00 0.77 0.00 0.00 66.41 65.24 3knz h THR 73 Cb 0.54 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3knz h THR 73 CO 0.03 0.62 -0.33 -0.07 0.37 0.00 0.00 175.52 176.14 3knz h LEU 74 N 0.51 0.00 -0.08 2.58 3.38 -0.82 -2.20 115.31 118.69 3knz h LEU 74 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 3knz h LEU 74 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.09 3knz h LEU 74 CO 0.15 0.33 -1.02 0.00 0.09 0.00 0.00 178.44 177.98 3knz h ALA 75 N 1.67 0.24 0.01 1.53 0.00 -0.54 -3.31 119.26 118.87 3knz h ALA 75 Ca -0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 54.91 53.97 3knz h ALA 75 Cb 0.86 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3knz h ALA 75 CO 0.04 0.77 -0.93 0.00 0.00 0.00 0.00 179.25 179.14 3knz h ARG 76 N 0.28 0.29 -7.08 0.00 2.47 -1.34 -3.47 114.38 105.53 3knz h ARG 76 Ca -0.11 -0.32 -0.53 0.00 -1.26 0.00 0.00 59.98 57.76 3knz h ARG 76 Cb 1.67 0.09 0.11 0.00 -1.65 0.00 0.00 29.97 30.19 3knz h ARG 76 CO 0.19 1.03 0.48 0.45 0.56 0.00 0.00 179.97 182.68 3knz s SER 77 N -7.00 5.37 0.68 7.04 0.15 -0.83 -5.02 113.70 114.09 3knz s SER 77 Ca -0.04 2.40 -0.13 0.00 0.70 0.00 0.00 55.95 58.88 3knz s SER 77 Cb 0.09 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3knz s SER 77 CO 0.85 -1.47 1.07 -0.83 1.20 0.00 0.00 173.24 174.06 3knz s GLY 78 N -1.51 1.84 0.08 9.45 0.00 -1.26 -4.89 107.32 111.03 3knz s GLY 78 Ca 0.75 0.24 -0.37 0.00 0.00 0.00 0.00 44.72 45.34 3knz s GLY 78 CO 0.34 0.56 1.32 1.17 0.00 0.00 0.00 173.10 176.50 3knz n LYS 79 N -2.82 1.10 -4.29 2.90 4.81 -1.26 -4.76 118.16 113.84 3knz n LYS 79 Ca 0.08 0.40 -0.16 0.00 -0.87 0.00 0.00 58.31 57.76 3knz n LYS 79 Cb 0.53 -2.03 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 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 1.62 -0.43 3.14 0.00 -1.26 0.46 121.76 125.74 3knz s ALA 80 Ca 0.84 -1.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 3knz s ALA 80 Cb -0.96 0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3knz s ALA 80 CO 0.47 -0.24 0.30 -1.17 0.00 0.00 0.00 175.76 175.13 3knz s LEU 81 N -3.25 5.24 -0.32 0.00 2.96 -0.20 -1.95 118.68 121.16 3knz s LEU 81 Ca 0.25 -1.25 -0.19 0.00 -0.22 0.00 0.00 54.13 52.72 3knz s LEU 81 Cb 0.05 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3knz s LEU 81 CO 0.06 -0.54 0.58 -0.69 -1.32 0.00 0.00 176.35 174.44 3knz s VAL 82 N 1.57 4.98 -0.32 1.68 1.01 0.06 -1.13 120.40 128.25 3knz s VAL 82 Ca 0.03 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 3knz s VAL 82 Cb -0.22 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3knz s VAL 82 CO 0.06 -0.15 0.14 -0.69 0.00 0.00 0.00 175.10 174.46 3knz s VAL 83 N 2.51 4.47 -0.11 2.92 1.01 0.16 -1.06 120.40 130.29 3knz s VAL 83 Ca 0.22 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3knz s VAL 83 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3knz s VAL 83 CO 0.12 0.03 0.62 -0.83 0.00 0.00 0.00 175.10 175.04 3knz s GLY 84 N 1.58 2.42 -0.08 4.51 0.00 0.21 -1.66 107.32 114.31 3knz s GLY 84 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.75 3knz s GLY 84 CO 0.06 1.10 -0.23 -0.42 0.00 0.00 0.00 173.10 173.60 3knz s ILE 85 N 1.01 1.95 -0.18 0.90 1.01 -0.53 -4.30 121.20 121.05 3knz s ILE 85 Ca 0.32 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 3knz s ILE 85 Cb -0.16 -1.68 0.08 0.00 0.01 0.00 0.00 42.46 40.71 3knz s ILE 85 CO 0.14 0.54 0.41 -0.55 0.00 0.00 0.00 174.94 175.48 3knz s SER 86 N 0.17 -0.33 0.22 3.58 0.15 -1.26 -4.42 113.70 111.81 3knz s SER 86 Ca -0.12 0.94 -0.08 0.00 0.70 0.00 0.00 55.95 57.39 3knz s SER 86 Cb -0.16 1.09 0.32 0.00 -1.71 0.00 0.00 66.02 65.56 3knz s SER 86 CO 0.06 -0.22 1.77 1.56 1.20 0.00 0.00 173.24 177.61 3knz h GLN 87 N 7.76 0.52 0.00 5.44 1.08 -1.93 -2.90 115.11 125.08 3knz h GLN 87 Ca -0.24 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 3knz h GLN 87 Cb 1.14 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 3knz h GLN 87 CO 0.19 0.35 0.00 0.41 -0.95 0.00 0.00 178.83 178.83 3knz n GLY 88 N -1.30 1.01 0.11 3.46 0.00 -1.26 -1.02 105.19 106.19 3knz n GLY 88 Ca 0.10 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.20 0.00 -0.02 0.00 -1.26 -3.43 105.19 104.28 3knz n GLY 89 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.07 3.87 3.91 -0.02 0.00 -1.26 0.23 105.19 111.85 3knz n GLY 90 Ca 0.02 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 6.44 0.39 1.61 1.04 -1.26 -4.87 113.70 117.05 3knz s SER 91 Ca 0.00 0.58 0.15 0.00 0.48 0.00 0.00 55.95 57.16 3knz s SER 91 Cb 0.00 -2.09 0.82 0.00 0.10 0.00 0.00 66.02 64.85 3knz s SER 91 CO 0.00 -0.09 1.86 -0.07 0.98 0.00 0.00 173.24 175.92 3knz h LEU 92 N 2.02 0.00 -0.02 2.42 3.38 -1.98 -1.49 115.31 119.64 3knz h LEU 92 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3knz h LEU 92 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3knz h LEU 92 CO 0.68 0.33 0.01 0.28 0.09 0.00 0.00 178.44 179.83 3knz h SER 93 N 0.00 0.03 -0.46 -0.43 0.02 -1.98 0.13 113.55 110.86 3knz h SER 93 Ca -0.00 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3knz h SER 93 Cb 0.61 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3knz h SER 93 CO 0.04 0.20 0.12 0.74 -1.14 0.00 0.00 176.83 176.79 3knz h THR 94 N -0.14 1.24 -0.10 -2.27 2.02 -1.91 -0.98 112.91 110.75 3knz h THR 94 Ca 0.01 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.40 3knz h THR 94 Cb 0.18 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3knz h THR 94 CO -0.00 0.29 -0.11 0.25 0.37 0.00 0.00 175.52 176.32 3knz h LEU 95 N 0.62 -0.34 -1.10 2.58 5.85 -1.17 -2.31 115.31 119.44 3knz h LEU 95 Ca 0.15 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3knz h LEU 95 Cb 0.32 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3knz h LEU 95 CO 0.00 -0.15 0.61 0.00 -0.34 0.00 0.00 178.44 178.56 3knz h ALA 96 N 0.93 1.38 0.00 1.25 0.00 -0.58 -0.45 119.26 121.79 3knz h ALA 96 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 96 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3knz h ALA 96 CO -0.19 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3knz n ALA 97 N -2.39 1.30 0.00 0.00 0.00 -0.39 -0.98 120.51 118.05 3knz n ALA 97 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3knz n ALA 97 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.56 0.00 -0.12 0.00 1.02 -0.18 -1.08 120.64 120.84 3knz n GLU 99 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3knz n GLU 99 Cb 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.92 -0.49 3.49 3.08 -1.31 -1.81 114.38 118.25 3knz h ARG 100 Ca 0.00 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.47 3knz h ARG 100 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3knz h ARG 100 CO 0.00 1.12 -0.14 0.00 -1.07 0.00 0.00 179.97 179.87 3knz h ALA 101 N 0.83 0.81 -0.53 0.04 0.00 -1.36 -3.08 119.26 115.97 3knz h ALA 101 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3knz h ALA 101 Cb 0.93 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3knz h ALA 101 CO 0.09 0.66 -0.12 -0.09 0.00 0.00 0.00 179.25 179.78 3knz h ARG 102 N 0.84 1.01 0.00 0.00 2.43 -1.70 -1.55 114.38 115.41 3knz h ARG 102 Ca 0.13 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3knz h ARG 102 Cb 0.69 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3knz h ARG 102 CO 0.05 1.06 0.00 -0.91 -1.51 0.00 0.00 179.97 178.66 3knz h ASN 103 N 0.89 0.00 -0.01 -3.80 2.35 -1.24 -2.22 115.58 111.55 3knz h ASN 103 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3knz h ASN 103 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3knz h ASN 103 CO 0.05 0.00 -0.26 0.52 -1.65 0.00 0.00 177.43 176.09 3knz n VAL 104 N -2.63 0.00 0.00 2.81 0.31 -1.08 -4.99 118.33 112.74 3knz n VAL 104 Ca -0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3knz n VAL 104 Cb 0.16 1.24 0.00 0.00 -0.91 0.00 0.00 33.84 34.33 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 1.14 0.79 3.79 2.92 0.00 -0.83 -5.07 105.19 107.92 3knz n GLY 105 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 3.16 0.23 1.61 3.76 -0.60 -4.91 115.29 116.53 3knz s HIS 106 Ca 0.00 1.62 -0.29 0.00 -0.15 0.00 0.00 55.06 56.24 3knz s HIS 106 Cb 0.00 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.52 3knz s HIS 106 CO 0.00 -0.67 0.91 0.42 -0.85 0.00 0.00 174.74 174.55 3knz s ILE 107 N -1.83 4.13 0.17 0.60 1.09 -0.82 -4.19 121.20 120.36 3knz s ILE 107 Ca 0.62 2.01 0.10 0.00 -1.10 0.00 0.00 60.65 62.28 3knz s ILE 107 Cb -0.19 -4.29 -0.04 0.00 -1.06 0.00 0.00 42.46 36.88 3knz s ILE 107 CO 0.23 0.50 -0.16 0.42 -0.10 0.00 0.00 174.94 175.83 3knz s THR 108 N -1.18 2.85 0.03 2.92 -4.23 -1.26 -0.76 115.64 114.01 3knz s THR 108 Ca 0.40 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 3knz s THR 108 Cb -0.25 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 3knz s THR 108 CO 0.31 -0.07 0.09 0.00 -0.54 0.00 0.00 174.62 174.41 3knz s ALA 109 N -1.59 -0.07 0.00 3.99 0.00 -0.23 -1.47 121.76 122.39 3knz s ALA 109 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3knz s ALA 109 Cb -0.09 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3knz s ALA 109 CO 0.12 -0.31 0.00 -1.13 0.00 0.00 0.00 175.76 174.45 3knz n SER 110 N 0.84 1.66 0.00 0.00 3.41 -0.75 -0.61 113.62 118.17 3knz n SER 110 Ca -0.19 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3knz n SER 110 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.14 7.33 0.00 -1.25 -0.51 120.51 124.22 3knz n ALA 112 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3knz n ALA 112 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.07 -0.58 3.33 0.00 0.00 -0.19 -0.55 105.19 106.12 3knz n GLY 113 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.59 1.10 -0.13 1.61 -7.23 -1.26 -4.46 120.40 107.43 3knz s VAL 114 Ca 0.20 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 3knz s VAL 114 Cb 0.19 -2.30 0.06 0.00 0.56 0.00 0.00 36.38 34.88 3knz s VAL 114 CO 0.58 -0.37 0.28 0.00 -0.31 0.00 0.00 175.10 175.28 3knz s ALA 115 N -3.38 -0.66 0.60 1.32 0.00 -1.26 -3.82 121.76 114.56 3knz s ALA 115 Ca 0.27 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 3knz s ALA 115 Cb 0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3knz s ALA 115 CO 0.08 -0.36 1.06 -1.25 0.00 0.00 0.00 175.76 175.29 3knz s PRO 116 N 1.68 3.29 0.12 0.00 0.04 -1.26 -5.14 135.00 133.74 3knz s PRO 116 Ca -0.06 1.20 0.11 0.00 0.04 0.00 0.00 61.00 62.28 3knz s PRO 116 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3knz s PRO 116 CO -0.09 -0.83 -0.26 0.00 0.04 0.00 0.00 177.00 175.86 3knz s ALA 117 N -2.48 2.29 0.38 8.56 0.00 -1.25 -4.94 121.76 124.32 3knz s ALA 117 Ca 0.63 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 51.26 3knz s ALA 117 Cb -0.16 -0.36 0.84 0.00 0.00 0.00 0.00 23.12 23.44 3knz s ALA 117 CO 0.38 0.51 1.92 1.15 0.00 0.00 0.00 175.76 179.72 3knz h THR 118 N 3.92 0.91 0.00 0.00 2.02 -0.56 -1.09 112.91 118.10 3knz h THR 118 Ca -0.50 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3knz h THR 118 Cb 1.17 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3knz h THR 118 CO 0.39 0.12 0.00 2.30 0.37 0.00 0.00 175.52 178.70 3knz n ILE 119 N -4.51 0.72 0.28 3.11 -5.35 -0.27 -2.79 119.36 110.55 3knz n ILE 119 Ca 0.14 0.06 0.14 0.00 -0.27 0.00 0.00 62.75 62.82 3knz n ILE 119 Cb 0.38 -0.93 0.84 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.33 7.28 3.32 -1.46 -2.66 116.42 122.57 3knz h ASP 120 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3knz h ASP 120 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3knz h ASP 120 CO 0.00 0.05 0.25 0.03 -1.72 0.00 0.00 179.24 177.85 3knz h ARG 121 N 0.00 0.00 -0.15 3.56 3.08 -1.68 -2.14 114.38 117.05 3knz h ARG 121 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3knz h ARG 121 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3knz h ARG 121 CO 0.01 0.00 -0.19 0.00 -1.07 0.00 0.00 179.97 178.72 3knz n ALA 122 N -2.56 3.50 -3.22 0.04 0.00 -1.00 -5.00 120.51 112.26 3knz n ALA 122 Ca 0.05 -2.97 -0.34 0.00 0.00 0.00 0.00 53.44 50.17 3knz n ALA 122 Cb 0.42 -0.54 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.11 2.88 0.18 0.00 0.00 -0.81 -4.71 121.76 116.19 3knz s ALA 123 Ca 0.40 -1.01 0.17 0.00 0.00 0.00 0.00 51.96 51.52 3knz s ALA 123 Cb 0.36 -1.62 0.62 0.00 0.00 0.00 0.00 23.12 22.48 3knz s ALA 123 CO -0.00 -0.13 1.71 -0.44 0.00 0.00 0.00 175.76 176.89 3knz h ASP 124 N 7.47 0.00 -3.05 0.00 3.32 -1.57 -3.42 116.42 119.16 3knz h ASP 124 Ca -0.35 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.24 3knz h ASP 124 Cb 1.18 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.32 3knz h ASP 124 CO 0.60 0.41 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.48 3knz s TYR 125 N -3.60 0.17 -0.51 4.55 2.02 -1.00 -5.02 117.35 113.97 3knz s TYR 125 Ca -0.00 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 3knz s TYR 125 Cb 0.11 -0.67 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3knz s TYR 125 CO 0.70 -0.50 1.16 0.42 -1.57 0.00 0.00 175.55 175.76 3knz s ILE 126 N 2.14 4.14 -0.59 2.71 1.09 -1.26 -1.80 121.20 127.63 3knz s ILE 126 Ca 0.02 1.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.69 3knz s ILE 126 Cb -0.16 -4.65 0.43 0.00 -1.06 0.00 0.00 42.46 37.02 3knz s ILE 126 CO -0.09 -1.13 1.73 0.18 -0.10 0.00 0.00 174.94 175.53 3knz n LEU 127 N 8.05 6.68 -4.40 2.97 4.77 0.33 -4.91 117.00 130.49 3knz n LEU 127 Ca 0.11 -4.62 -0.51 0.00 -0.03 0.00 0.00 56.01 50.96 3knz n LEU 127 Cb 0.49 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3knz n LEU 127 CO 0.72 1.77 0.14 0.41 -1.33 0.00 0.00 177.39 179.10 3knz n THR 128 N -0.74 1.47 -2.52 -5.08 -1.04 -1.24 -4.66 114.28 100.47 3knz n THR 128 Ca 0.54 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.05 61.75 3knz n THR 128 Cb 0.64 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.13 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 -0.74 4.45 -1.05 12.58 1.01 0.28 -4.91 120.40 132.02 3knz s VAL 129 Ca 0.71 1.75 -0.23 0.00 0.00 0.00 0.00 61.98 64.21 3knz s VAL 129 Cb -1.01 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.20 3knz s VAL 129 CO 0.56 -0.14 1.87 -2.16 0.00 0.00 0.00 175.10 175.23 3knz s PRO 130 N 3.27 2.76 -0.01 2.72 0.04 -1.26 -4.61 135.00 137.91 3knz s PRO 130 Ca 0.50 -0.84 0.16 0.00 0.04 0.00 0.00 61.00 60.86 3knz s PRO 130 Cb -0.19 -5.20 -0.20 0.00 0.04 0.00 0.00 34.50 28.95 3knz s PRO 130 CO 0.12 -3.40 0.58 0.00 0.04 0.00 0.00 177.00 174.34 3knz n GLY 132 N 1.43 2.63 2.01 0.00 0.00 -1.26 -5.15 105.19 104.86 3knz n GLY 132 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.00 0.00 1.61 1.02 -1.26 -5.11 120.64 116.89 3knz n GLU 133 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knz n GLU 133 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3knz n GLU 133 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3knz n THR 140 N -2.72 0.00 0.30 2.62 -1.04 -1.26 -5.03 114.28 107.14 3knz n THR 140 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 3knz n THR 140 Cb 0.00 0.00 0.88 0.00 -1.82 0.00 0.00 70.33 69.39 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 -0.61 -2.82 2.10 -1.98 -3.37 116.57 109.89 3knz h LYS 141 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 3knz h LYS 141 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 3knz h LYS 141 CO 0.00 0.02 -0.36 0.41 -2.00 0.00 0.00 179.45 177.51 3knz n GLY 142 N -0.44 -2.07 0.14 0.07 0.00 -1.26 -0.06 105.19 101.57 3knz n GLY 142 Ca -0.01 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 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 0.27 0.18 1.61 3.20 -1.93 -0.39 116.97 119.91 3knz h TYR 143 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3knz h TYR 143 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3knz h TYR 143 CO -0.77 0.14 -0.14 0.45 -1.64 0.00 0.00 178.16 176.20 3knz h HIS 144 N 0.30 -0.37 -0.72 -3.82 3.86 -1.32 -1.63 115.15 111.45 3knz h HIS 144 Ca 0.12 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3knz h HIS 144 Cb 0.05 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3knz h HIS 144 CO -0.10 -0.22 0.47 0.00 0.86 0.00 0.00 177.93 178.94 3knz h THR 146 N 0.98 1.30 -0.75 0.00 2.02 -0.83 0.17 112.91 115.80 3knz h THR 146 Ca 0.26 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3knz h THR 146 Cb -0.11 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3knz h THR 146 CO -0.06 0.39 0.36 0.58 0.37 0.00 0.00 175.52 177.17 3knz h VAL 147 N 0.29 1.24 -0.43 3.16 2.07 -1.02 -1.23 116.25 120.33 3knz h VAL 147 Ca 0.06 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3knz h VAL 147 Cb 0.67 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3knz h VAL 147 CO 0.04 0.29 -0.08 0.25 0.02 0.00 0.00 177.57 178.09 3knz h LEU 148 N 1.06 0.82 -0.15 2.57 5.85 -1.00 -3.10 115.31 121.35 3knz h LEU 148 Ca 0.26 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3knz h LEU 148 Cb 0.12 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3knz h LEU 148 CO -0.03 0.98 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.77 3knz h ASN 149 N 0.65 -0.45 0.00 1.25 -1.24 -0.32 -0.07 115.58 115.40 3knz h ASN 149 Ca 0.11 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3knz h ASN 149 Cb 0.60 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.87 3knz h ASN 149 CO 0.04 -0.19 0.00 0.18 -1.29 0.00 0.00 177.43 176.17 3knz n LEU 150 N -5.29 0.00 0.00 0.34 4.77 -0.50 -1.90 117.00 114.43 3knz n LEU 150 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3knz n LEU 150 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3knz n LEU 150 CO 0.22 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.46 3knz n LEU 152 N 0.66 0.00 -0.13 2.23 4.77 -0.04 -2.53 117.00 121.96 3knz n LEU 152 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3knz n LEU 152 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3knz n LEU 152 CO 0.00 0.00 0.98 0.25 -1.33 0.00 0.00 177.39 177.29 3knz h LEU 153 N 0.00 0.51 -0.99 2.23 5.85 -1.64 -0.91 115.31 120.36 3knz h LEU 153 Ca 0.00 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3knz h LEU 153 Cb 0.00 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3knz h LEU 153 CO 0.00 0.46 0.64 0.00 -0.34 0.00 0.00 178.44 179.20 3knz h ALA 154 N 1.07 1.35 -0.14 1.25 0.00 -1.78 -0.09 119.26 120.91 3knz h ALA 154 Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 154 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3knz h ALA 154 CO -0.02 0.48 -0.34 -0.07 0.00 0.00 0.00 179.25 179.29 3knz h LEU 155 N 1.20 0.30 -0.38 0.00 4.07 -1.79 -1.20 115.31 117.51 3knz h LEU 155 Ca 0.41 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 58.16 3knz h LEU 155 Cb 0.09 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3knz h LEU 155 CO -0.15 0.63 -0.16 0.00 -1.08 0.00 0.00 178.44 177.68 3knz h ALA 156 N 1.39 0.53 -0.49 1.53 0.00 0.22 -0.98 119.26 121.47 3knz h ALA 156 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3knz h ALA 156 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3knz h ALA 156 CO 0.06 0.46 0.09 0.28 0.00 0.00 0.00 179.25 180.13 3knz h VAL 157 N 0.58 1.25 -0.49 0.00 2.07 -0.88 -1.45 116.25 117.33 3knz h VAL 157 Ca 0.09 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 3knz h VAL 157 Cb 0.71 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3knz h VAL 157 CO 0.05 0.33 0.12 0.00 0.02 0.00 0.00 177.57 178.09 3knz h ALA 158 N 0.97 1.29 0.33 1.67 0.00 -1.15 -2.20 119.26 120.18 3knz h ALA 158 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3knz h ALA 158 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3knz h ALA 158 CO 0.01 0.50 -0.16 0.78 0.00 0.00 0.00 179.25 180.38 3knz h GLY 159 N 0.91 -0.46 0.25 0.00 0.00 -0.84 0.14 103.07 103.07 3knz h GLY 159 Ca 0.16 0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.81 3knz h GLY 159 CO -0.00 -0.17 0.48 1.46 0.00 0.00 0.00 176.54 178.31 3knz h GLN 160 N -0.72 0.67 -0.54 4.80 1.08 -1.19 -0.35 115.11 118.85 3knz h GLN 160 Ca -0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3knz h GLN 160 Cb 0.49 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3knz h GLN 160 CO 0.07 0.44 0.00 1.04 -0.95 0.00 0.00 178.83 179.44 3knz n GLN 161 N -4.82 1.88 -4.02 1.46 6.02 -0.83 -4.90 117.38 112.16 3knz n GLN 161 Ca 0.18 -0.92 -0.31 0.00 -0.01 0.00 0.00 57.00 55.93 3knz n GLN 161 Cb 0.43 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 -4.37 -0.09 -1.09 6.02 -0.14 -4.87 117.38 113.04 3knz n GLN 162 Ca 0.08 0.49 0.03 0.00 -0.01 0.00 0.00 57.00 57.60 3knz n GLN 162 Cb 0.37 -5.22 0.08 0.00 1.02 0.00 0.00 30.24 26.49 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 -4.52 2.44 -3.58 -1.09 1.74 0.45 -4.87 116.66 107.24 3knz n ARG 163 Ca -0.00 -1.67 -0.29 0.00 -0.77 0.00 0.00 57.85 55.11 3knz n ARG 163 Cb 0.54 -1.15 -0.15 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.93 1.09 0.94 0.55 2.96 -1.11 -4.93 118.68 117.25 3knz s LEU 164 Ca 0.13 -1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 52.35 3knz s LEU 164 Cb 0.07 -0.51 0.19 0.00 0.50 0.00 0.00 46.19 46.44 3knz s LEU 164 CO 0.09 -0.41 1.30 1.51 -1.32 0.00 0.00 176.35 177.52 3knz s ASP 165 N 1.79 3.28 0.20 3.68 1.47 -1.26 -4.66 116.67 121.18 3knz s ASP 165 Ca 0.11 0.30 -0.10 0.00 1.18 0.00 0.00 52.55 54.03 3knz s ASP 165 Cb -0.17 -0.39 0.26 0.00 -0.34 0.00 0.00 42.92 42.27 3knz s ASP 165 CO -0.28 -2.63 1.75 1.23 0.68 0.00 0.00 175.17 175.91 3knz h GLY 166 N -1.56 0.82 0.97 2.12 0.00 -2.01 0.13 103.07 103.55 3knz h GLY 166 Ca -0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3knz h GLY 166 CO 0.41 -0.01 0.20 0.83 0.00 0.00 0.00 176.54 177.97 3knz h GLU 167 N 0.41 0.71 -0.24 4.80 5.08 -1.98 0.15 114.58 123.51 3knz h GLU 167 Ca 0.29 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3knz h GLU 167 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3knz h GLU 167 CO -0.29 0.63 0.08 1.96 -1.00 0.00 0.00 179.01 180.39 3knz h GLN 168 N 0.63 0.37 0.21 2.33 4.20 -1.85 0.48 115.11 121.48 3knz h GLN 168 Ca 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3knz h GLN 168 Cb 0.17 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3knz h GLN 168 CO -0.02 0.44 -0.37 -0.09 -0.67 0.00 0.00 178.83 178.12 3knz h ARG 169 N 0.23 -0.63 -0.71 1.46 9.65 -0.79 -0.01 114.38 123.58 3knz h ARG 169 Ca 0.08 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3knz h ARG 169 Cb 0.21 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3knz h ARG 169 CO -0.00 -0.42 0.47 -0.09 2.80 0.00 0.00 179.97 182.72 3knz h ARG 170 N -0.66 0.81 -0.29 0.20 2.43 -0.57 -1.62 114.38 114.68 3knz h ARG 170 Ca 0.01 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3knz h ARG 170 Cb 0.65 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3knz h ARG 170 CO -0.16 0.54 -0.14 1.03 -1.51 0.00 0.00 179.97 179.73 3knz h SER 171 N 0.84 0.62 -0.54 -3.80 0.87 -0.45 -1.12 113.55 109.96 3knz h SER 171 Ca 0.28 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 3knz h SER 171 Cb 0.09 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3knz h SER 171 CO -0.08 0.89 0.16 -0.07 -0.53 0.00 0.00 176.83 177.20 3knz h LEU 172 N 0.35 0.83 -0.34 2.23 3.38 -0.46 -1.84 115.31 119.46 3knz h LEU 172 Ca 0.06 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3knz h LEU 172 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3knz h LEU 172 CO 0.04 0.80 -0.25 -0.07 0.09 0.00 0.00 178.44 179.04 3knz h LEU 173 N 0.86 0.80 -0.20 1.67 3.38 -1.19 -3.01 115.31 117.63 3knz h LEU 173 Ca 0.19 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3knz h LEU 173 Cb 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3knz h LEU 173 CO -0.00 1.08 -0.29 -0.07 0.09 0.00 0.00 178.44 179.24 3knz h LEU 174 N 0.54 -0.92 -1.07 1.67 3.38 -0.96 0.15 115.31 118.11 3knz h LEU 174 Ca 0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3knz h LEU 174 Cb 0.82 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3knz h LEU 174 CO 0.07 -0.32 0.00 0.54 0.09 0.00 0.00 178.44 178.81 3knz n ARG 175 N -5.40 0.00 0.00 1.13 1.74 -0.71 0.41 116.66 113.83 3knz n ARG 175 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3knz n ARG 175 Cb 0.31 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 0.44 0.00 -0.10 5.56 2.13 0.53 -1.43 120.64 127.77 3knz n GLU 177 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 3knz n GLU 177 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 0.53 -0.37 5.31 3.64 -0.28 -1.00 116.57 124.40 3knz h LYS 178 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3knz h LYS 178 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3knz h LYS 178 CO 0.00 0.64 0.24 1.15 -2.27 0.00 0.00 179.45 179.21 3knz h THR 179 N 0.34 1.11 -0.86 1.00 2.02 -1.49 -2.41 112.91 112.62 3knz h THR 179 Ca 0.09 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3knz h THR 179 Cb 0.38 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3knz h THR 179 CO 0.01 0.11 0.44 -0.26 0.37 0.00 0.00 175.52 176.18 3knz h PHE 180 N 0.49 1.21 0.00 3.16 0.04 -1.78 -1.92 116.94 118.13 3knz h PHE 180 Ca 0.13 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3knz h PHE 180 Cb -0.03 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 37.74 3knz h PHE 180 CO -0.04 0.85 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.55 3knz h ASN 181 N 1.21 0.00 0.44 2.17 2.35 -0.93 -2.75 115.58 118.07 3knz h ASN 181 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 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 -0.04 0.06 -0.41 1.41 -1.65 0.00 0.00 177.43 176.80 3knz n HIS 182 N -3.29 0.00 -0.21 1.19 8.25 -0.74 -4.32 115.22 116.09 3knz n HIS 182 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3knz n HIS 182 Cb 0.25 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 0.33 1.06 -1.07 2.41 3.38 -1.25 -2.98 115.31 117.19 3knz h LEU 183 Ca 0.00 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.77 3knz h LEU 183 Cb 0.50 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3knz h LEU 183 CO 0.00 1.10 0.62 -0.65 0.09 0.00 0.00 178.44 179.61 3knz h PRO 184 N 0.98 0.97 -0.41 1.13 0.11 -1.77 0.14 132.00 133.17 3knz h PRO 184 Ca 0.17 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 3knz h PRO 184 Cb 0.56 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3knz h PRO 184 CO 0.03 0.64 -0.18 0.00 -0.21 0.00 0.00 178.00 178.28 3knz h ALA 185 N 1.52 0.92 -0.28 -0.75 0.00 -1.82 -2.55 119.26 116.30 3knz h ALA 185 Ca 0.46 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 185 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3knz h ALA 185 CO -0.22 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.66 3knz h LEU 186 N 0.69 0.54 -0.57 0.00 5.85 -0.90 -1.69 115.31 119.23 3knz h LEU 186 Ca 0.10 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3knz h LEU 186 Cb 0.68 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3knz h LEU 186 CO 0.05 0.78 0.17 0.58 -0.34 0.00 0.00 178.44 179.68 3knz h VAL 187 N 0.48 1.24 -0.49 1.05 2.07 -0.56 0.15 116.25 120.19 3knz h VAL 187 Ca 0.07 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 3knz h VAL 187 Cb 0.68 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3knz h VAL 187 CO 0.05 0.31 -0.11 0.74 0.02 0.00 0.00 177.57 178.58 3knz h THR 188 N 0.80 1.26 -0.16 2.57 2.02 -1.25 -1.74 112.91 116.41 3knz h THR 188 Ca 0.18 -1.23 -0.20 0.00 0.77 0.00 0.00 66.41 65.94 3knz h THR 188 Cb 0.29 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3knz h THR 188 CO -0.00 0.43 -0.70 0.00 0.37 0.00 0.00 175.52 175.62 3knz h ALA 189 N 1.05 0.47 -0.63 6.16 0.00 -1.12 -2.79 119.26 122.41 3knz h ALA 189 Ca 0.13 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3knz h ALA 189 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3knz h ALA 189 CO 0.04 0.71 0.07 0.77 0.00 0.00 0.00 179.25 180.84 3knz h SER 190 N 0.47 1.03 -0.41 0.00 0.02 -0.59 -1.32 113.55 112.75 3knz h SER 190 Ca -0.03 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3knz h SER 190 Cb 1.30 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 3knz h SER 190 CO 0.14 1.05 0.16 -0.61 -1.14 0.00 0.00 176.83 176.43 3knz h GLN 191 N 0.98 0.62 -0.32 3.45 4.15 -1.30 0.25 115.11 122.93 3knz h GLN 191 Ca 0.19 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3knz h GLN 191 Cb 0.47 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3knz h GLN 191 CO 0.02 0.58 0.17 0.00 -1.93 0.00 0.00 178.83 177.67 3knz h ALA 192 N 1.01 0.41 -0.28 3.38 0.00 -1.37 -0.29 119.26 122.12 3knz h ALA 192 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3knz h ALA 192 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3knz h ALA 192 CO -0.01 -0.05 0.15 2.35 0.00 0.00 0.00 179.25 181.68 3knz h TRP 193 N 0.39 0.38 -0.96 0.00 7.01 -1.00 -0.56 115.95 121.23 3knz h TRP 193 Ca 0.11 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3knz h TRP 193 Cb 0.07 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 3knz h TRP 193 CO -0.03 0.33 0.61 0.00 -2.79 0.00 0.00 178.44 176.57 3knz h ALA 194 N 1.02 1.28 -0.19 2.65 0.00 -0.30 -0.87 119.26 122.85 3knz h ALA 194 Ca 0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3knz h ALA 194 Cb 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3knz h ALA 194 CO -0.01 0.65 -0.50 1.96 0.00 0.00 0.00 179.25 181.35 3knz h GLN 195 N 1.31 0.52 -0.20 0.00 4.20 -0.78 -1.15 115.11 119.01 3knz h GLN 195 Ca 0.35 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3knz h GLN 195 Cb -0.12 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3knz h GLN 195 CO -0.07 0.90 -0.32 1.15 -0.67 0.00 0.00 178.83 179.81 3knz h THR 196 N 0.41 1.28 -0.47 -0.54 2.02 -0.52 -3.10 112.91 112.00 3knz h THR 196 Ca 0.02 -1.38 -0.21 0.00 0.77 0.00 0.00 66.41 65.61 3knz h THR 196 Cb 1.01 1.48 -0.12 0.00 -1.74 0.00 0.00 68.15 68.78 3knz h THR 196 CO 0.09 0.43 0.08 0.59 0.37 0.00 0.00 175.52 177.08 3knz n ASN 197 N -4.08 3.08 0.00 4.18 3.02 -0.38 -4.78 115.26 116.30 3knz n ASN 197 Ca -0.01 -3.58 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 3knz n ASN 197 Cb 0.44 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3knz n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knz n ALA 198 N -0.96 -0.40 -0.22 5.41 0.00 -0.44 -3.23 120.51 120.66 3knz n ALA 198 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.83 3knz n ALA 198 Cb 1.14 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.72 3knz n ALA 198 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knz h LEU 199 N 0.00 -0.19 -0.43 0.00 3.38 -1.86 -2.12 115.31 114.09 3knz h LEU 199 Ca 0.00 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3knz h LEU 199 Cb 0.00 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3knz h LEU 199 CO 0.00 -0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.52 3knz h ALA 200 N 1.59 0.47 0.00 1.53 0.00 -1.91 -1.49 119.26 119.44 3knz h ALA 200 Ca 0.36 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 3knz h ALA 200 Cb 0.60 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3knz h ALA 200 CO -0.53 -0.32 -0.45 -0.07 0.00 0.00 0.00 179.25 177.87 3knz h LEU 201 N 0.21 0.00 -0.56 0.00 3.38 -1.38 -2.74 115.31 114.23 3knz h LEU 201 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3knz h LEU 201 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3knz h LEU 201 CO -0.28 0.45 0.09 0.03 0.09 0.00 0.00 178.44 178.83 3knz h ARG 202 N 0.00 0.93 0.00 1.13 3.08 -0.80 -3.08 114.38 115.64 3knz h ARG 202 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3knz h ARG 202 Cb 0.82 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3knz h ARG 202 CO 0.06 0.89 0.00 -0.25 -1.07 0.00 0.00 179.97 179.60 3knz n ASP 203 N -4.34 0.00 -4.81 7.04 10.43 -0.64 -4.82 116.55 119.41 3knz n ASP 203 Ca 0.02 -1.69 -0.36 0.00 2.57 0.00 0.00 54.79 55.33 3knz n ASP 203 Cb 0.27 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.16 3knz n ASP 203 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3knz s SER 204 N -1.22 6.37 0.20 -2.24 0.15 -1.17 -5.01 113.70 110.79 3knz s SER 204 Ca 0.06 0.43 -0.10 0.00 0.70 0.00 0.00 55.95 57.04 3knz s SER 204 Cb 0.03 -2.10 0.22 0.00 -1.71 0.00 0.00 66.02 62.45 3knz s SER 204 CO 0.04 0.30 1.81 0.00 1.20 0.00 0.00 173.24 176.60 3knz h ALA 205 N 5.68 0.86 -2.42 5.45 0.00 -1.86 -3.45 119.26 123.53 3knz h ALA 205 Ca -0.49 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3knz h ALA 205 Cb 1.20 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 3knz h ALA 205 CO 0.66 0.06 0.02 0.16 0.00 0.00 0.00 179.25 180.15 3knz s ASP 206 N -5.61 -0.44 -0.06 0.00 -4.77 -1.26 -4.55 116.67 99.98 3knz s ASP 206 Ca -0.13 0.24 0.04 0.00 -3.30 0.00 0.00 52.55 49.40 3knz s ASP 206 Cb 0.16 0.47 -0.02 0.00 -1.09 0.00 0.00 42.92 42.44 3knz s ASP 206 CO 0.76 -0.66 -0.17 -0.63 0.70 0.00 0.00 175.17 175.16 3knz s ILE 207 N -2.10 2.80 -0.07 2.11 1.01 -0.51 -1.66 121.20 122.78 3knz s ILE 207 Ca -0.07 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3knz s ILE 207 Cb -0.01 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 3knz s ILE 207 CO 0.01 0.58 -0.21 -0.13 0.00 0.00 0.00 174.94 175.19 3knz s ARG 208 N -0.45 2.42 -0.07 2.79 1.81 0.55 -2.26 118.95 123.75 3knz s ARG 208 Ca 0.05 -0.75 0.02 0.00 -1.72 0.00 0.00 55.73 53.33 3knz s ARG 208 Cb -0.12 -1.96 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 3knz s ARG 208 CO 0.02 0.22 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.23 3knz s LEU 209 N 0.19 2.86 0.12 2.53 1.43 0.13 -1.02 118.68 124.92 3knz s LEU 209 Ca -0.11 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3knz s LEU 209 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3knz s LEU 209 CO 0.05 0.32 -0.01 0.28 0.23 0.00 0.00 176.35 177.23 3knz s THR 210 N -0.58 0.45 -0.04 5.49 -1.32 -0.39 -0.02 115.64 119.23 3knz s THR 210 Ca 0.08 -1.92 -0.31 0.00 -1.21 0.00 0.00 61.69 58.33 3knz s THR 210 Cb -0.11 -1.88 0.13 0.00 -1.51 0.00 0.00 72.50 69.13 3knz s THR 210 CO 0.01 -0.67 1.32 -0.83 -2.21 0.00 0.00 174.62 172.24 3knz s GLY 211 N -3.06 -0.43 0.87 6.08 0.00 -1.10 -1.69 107.32 107.98 3knz s GLY 211 Ca 0.18 0.80 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 3knz s GLY 211 CO -0.01 0.15 1.10 2.56 0.00 0.00 0.00 173.10 176.90 3knz s PRO 212 N -2.33 1.45 0.28 2.90 0.04 -1.26 -0.36 135.00 135.72 3knz s PRO 212 Ca 0.14 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.40 3knz s PRO 212 Cb 0.05 -1.80 0.69 0.00 0.04 0.00 0.00 34.50 33.48 3knz s PRO 212 CO -0.05 -2.22 1.66 0.00 0.04 0.00 0.00 177.00 176.43 3knz h ALA 213 N -1.55 1.27 0.00 8.56 0.00 -1.96 0.22 119.26 125.80 3knz h ALA 213 Ca -0.46 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3knz h ALA 213 Cb 1.26 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3knz h ALA 213 CO 0.49 -0.44 0.02 0.25 0.00 0.00 0.00 179.25 179.57 3knz n THR 214 N -5.19 1.86 -1.71 0.00 -2.24 -1.26 -1.47 114.28 104.27 3knz n THR 214 Ca 0.21 0.48 0.06 0.00 -2.27 0.00 0.00 64.05 62.53 3knz n THR 214 Cb 0.66 -1.48 0.12 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.47 1.86 -0.15 3.22 4.77 0.06 -4.83 117.00 120.46 3knz n LEU 215 Ca 0.00 -2.87 -0.09 0.00 -0.03 0.00 0.00 56.01 53.03 3knz n LEU 215 Cb 0.02 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3knz n LEU 215 CO 0.00 0.87 0.94 0.15 -1.33 0.00 0.00 177.39 178.01 3knz h PHE 216 N 0.60 0.67 -0.68 -1.77 3.57 -1.24 -2.01 116.94 116.08 3knz h PHE 216 Ca -0.05 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3knz h PHE 216 Cb 1.25 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 3knz h PHE 216 CO 0.34 0.58 0.45 0.78 -2.23 0.00 0.00 178.31 178.23 3knz h GLY 217 N 0.57 0.90 0.82 2.40 0.00 -1.85 -1.61 103.07 104.30 3knz h GLY 217 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3knz h GLY 217 CO -0.01 0.23 0.00 -0.84 0.00 0.00 0.00 176.54 175.92 3knz h THR 218 N 0.73 1.15 0.00 4.70 2.02 -1.71 -1.44 112.91 118.37 3knz h THR 218 Ca 0.29 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3knz h THR 218 Cb 0.21 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3knz h THR 218 CO -0.09 0.12 -0.44 -0.37 0.37 0.00 0.00 175.52 175.10 3knz h VAL 219 N -0.17 1.03 -0.10 3.16 -1.51 -1.19 -0.59 116.25 116.88 3knz h VAL 219 Ca 0.00 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.75 3knz h VAL 219 Cb 0.19 2.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3knz h VAL 219 CO -0.00 0.43 -0.05 1.56 -1.23 0.00 0.00 177.57 178.29 3knz h GLN 220 N 0.00 0.21 -0.43 5.19 1.08 -1.22 -0.84 115.11 119.10 3knz h GLN 220 Ca -0.00 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 56.98 3knz h GLN 220 Cb 0.96 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 3knz h GLN 220 CO 0.06 0.56 -0.22 1.49 -0.95 0.00 0.00 178.83 179.77 3knz h GLU 221 N -0.15 0.91 -0.68 1.46 4.57 -1.22 -1.73 114.58 117.73 3knz h GLU 221 Ca 0.02 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 3knz h GLU 221 Cb 0.50 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 3knz h GLU 221 CO 0.01 1.06 0.28 0.78 -1.18 0.00 0.00 179.01 179.96 3knz h GLY 222 N 0.74 1.07 0.82 1.92 0.00 -1.13 -1.70 103.07 104.79 3knz h GLY 222 Ca 0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3knz h GLY 222 CO 0.06 0.53 0.03 0.00 0.00 0.00 0.00 176.54 177.16 3knz h ALA 223 N 1.32 0.12 -0.73 3.60 0.00 -0.89 -3.12 119.26 119.57 3knz h ALA 223 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3knz h ALA 223 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3knz h ALA 223 CO -0.02 -0.26 0.42 1.25 0.00 0.00 0.00 179.25 180.64 3knz h LEU 224 N -0.05 0.89 -1.65 0.00 5.85 -1.13 -1.31 115.31 117.92 3knz h LEU 224 Ca 0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3knz h LEU 224 Cb 0.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3knz h LEU 224 CO -0.00 0.71 0.00 0.29 -0.34 0.00 0.00 178.44 179.10 3knz n LYS 225 N -4.50 0.43 0.00 1.25 4.76 -0.66 -1.32 118.16 118.12 3knz n LYS 225 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3knz n LYS 225 Cb 0.07 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.61 0.00 0.17 -0.35 7.94 -0.49 -0.89 117.00 123.98 3knz n LEU 227 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3knz n LEU 227 Cb 0.18 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.56 3knz n LEU 227 CO 0.00 0.00 0.87 -0.08 -1.11 0.00 0.00 177.39 177.07 3knz h GLU 228 N 0.00 0.11 0.00 1.96 4.81 -1.45 -0.51 114.58 119.50 3knz h GLU 228 Ca 0.00 -0.03 -0.39 0.00 -0.13 0.00 0.00 59.36 58.82 3knz h GLU 228 Cb 0.00 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3knz h GLU 228 CO 0.00 0.30 -2.17 2.41 -0.73 0.00 0.00 179.01 178.82 3knz n THR 229 N -4.27 1.53 0.26 0.32 -1.04 -0.07 -4.45 114.28 106.55 3knz n THR 229 Ca -0.02 -0.28 0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3knz n THR 229 Cb 0.28 -1.94 0.43 0.00 -1.82 0.00 0.00 70.33 67.27 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 -1.00 0.00 1.03 -4.42 3.38 -1.79 -3.47 115.31 109.04 3knz h LEU 230 Ca -0.59 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.01 3knz h LEU 230 Cb 1.51 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.31 3knz h LEU 230 CO -0.36 0.00 -0.54 0.54 0.09 0.00 0.00 178.44 178.17 3knz n ARG 231 N -3.08 -4.16 -4.09 1.13 5.12 -0.20 -5.01 116.66 106.38 3knz n ARG 231 Ca 0.02 0.84 -0.09 0.00 -1.93 0.00 0.00 57.85 56.69 3knz n ARG 231 Cb 0.42 -5.50 -0.09 0.00 -1.16 0.00 0.00 32.46 26.12 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 -3.98 4.13 -0.09 0.00 0.02 -1.26 -4.35 135.00 129.48 3knz s PRO 233 Ca 0.16 2.60 -0.04 0.00 0.02 0.00 0.00 61.00 63.74 3knz s PRO 233 Cb 0.07 -3.31 0.04 0.00 0.02 0.00 0.00 34.50 31.33 3knz s PRO 233 CO -0.04 -0.79 0.19 0.08 -0.33 0.00 0.00 177.00 176.11 3knz s VAL 234 N 1.87 -0.12 0.04 3.83 1.01 -1.26 -1.43 120.40 124.35 3knz s VAL 234 Ca 0.77 0.21 0.04 0.00 0.00 0.00 0.00 61.98 63.01 3knz s VAL 234 Cb -0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3knz s VAL 234 CO 0.34 0.09 -0.13 -0.44 0.00 0.00 0.00 175.10 174.96 3knz s SER 235 N 1.50 1.48 -0.15 3.32 0.01 -0.96 -4.67 113.70 114.24 3knz s SER 235 Ca -0.06 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3knz s SER 235 Cb -0.11 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 3knz s SER 235 CO -0.07 0.00 -0.15 -0.83 0.41 0.00 0.00 173.24 172.60 3knz s GLY 236 N -1.14 1.48 0.20 3.44 0.00 -1.26 0.18 107.32 110.22 3knz s GLY 236 Ca -0.00 -1.03 0.11 0.00 0.00 0.00 0.00 44.72 43.80 3knz s GLY 236 CO 0.01 0.01 -0.23 -0.19 0.00 0.00 0.00 173.10 172.70 3knz s TYR 237 N 0.79 2.26 0.36 1.90 1.51 0.97 -4.66 117.35 120.47 3knz s TYR 237 Ca -0.06 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 3knz s TYR 237 Cb -0.15 -1.10 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 3knz s TYR 237 CO 0.00 0.51 1.03 -2.00 -1.11 0.00 0.00 175.55 173.99 3knz s GLU 238 N -2.78 4.36 0.16 -0.62 -6.30 -1.26 -2.72 118.70 109.53 3knz s GLU 238 Ca 0.21 1.52 -0.25 0.00 -2.50 0.00 0.00 54.97 53.95 3knz s GLU 238 Cb -0.07 -2.72 0.03 0.00 0.00 0.00 0.00 34.13 31.36 3knz s GLU 238 CO 0.10 0.03 1.58 0.35 0.02 0.00 0.00 175.26 177.35 3knz h PHE 239 N 2.91 -1.08 -0.22 5.30 3.57 -1.00 -0.87 116.94 125.55 3knz h PHE 239 Ca -0.48 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 60.97 3knz h PHE 239 Cb 1.21 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 3knz h PHE 239 CO 0.59 -0.42 -0.38 0.93 -2.23 0.00 0.00 178.31 176.81 3knz h GLU 240 N -0.29 0.49 -0.95 1.11 4.39 -1.93 -0.95 114.58 116.45 3knz h GLU 240 Ca 0.16 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3knz h GLU 240 Cb 0.57 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 3knz h GLU 240 CO -0.56 0.80 0.57 0.93 -1.16 0.00 0.00 179.01 179.58 3knz h GLU 241 N 0.41 1.29 0.07 2.33 4.39 -1.87 0.14 114.58 121.34 3knz h GLU 241 Ca 0.04 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3knz h GLU 241 Cb 0.85 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3knz h GLU 241 CO 0.07 0.90 -0.03 0.35 -1.16 0.00 0.00 179.01 179.14 3knz h PHE 242 N 1.31 -0.08 -0.36 4.33 3.57 -0.52 -0.94 116.94 124.24 3knz h PHE 242 Ca 0.34 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.86 3knz h PHE 242 Cb -0.05 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3knz h PHE 242 CO 0.01 0.01 0.19 0.82 -2.23 0.00 0.00 178.31 177.11 3knz h ILE 243 N -0.16 1.01 -0.15 1.41 1.08 -0.92 -0.26 117.51 119.52 3knz h ILE 243 Ca -0.01 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3knz h ILE 243 Cb 0.13 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3knz h ILE 243 CO 0.01 0.07 0.01 -0.74 -0.69 0.00 0.00 178.15 176.82 3knz h HIS 244 N 0.40 0.20 -0.29 1.37 2.76 -0.75 -2.87 115.15 115.97 3knz h HIS 244 Ca 0.14 -0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 58.10 3knz h HIS 244 Cb 0.03 -0.07 -0.15 0.00 1.55 0.00 0.00 27.41 28.77 3knz h HIS 244 CO -0.09 0.21 -0.54 0.41 -1.30 0.00 0.00 177.93 176.62 3knz n GLY 245 N -1.27 5.55 0.19 5.26 0.00 -0.38 -4.90 105.19 109.64 3knz n GLY 245 Ca -0.01 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 1.38 0.57 0.00 -0.61 6.09 -0.81 -2.09 117.51 122.04 3knz h ILE 246 Ca 0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 3knz h ILE 246 Cb 1.23 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3knz h ILE 246 CO 0.31 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 177.27 3knz h TYR 247 N -0.05 0.00 0.00 2.19 0.05 -1.87 0.20 116.97 117.48 3knz h TYR 247 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3knz h TYR 247 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3knz h TYR 247 CO -0.36 0.00 -1.35 0.09 -1.05 0.00 0.00 178.16 175.49 3knz n ASN 248 N -2.31 0.55 -0.45 3.88 3.02 -0.83 -4.44 115.26 114.69 3knz n ASN 248 Ca 0.00 -0.45 0.06 0.00 -0.03 0.00 0.00 54.58 54.16 3knz n ASN 248 Cb 0.14 1.29 0.04 0.00 -0.61 0.00 0.00 39.78 40.65 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 -1.85 2.54 -3.58 5.41 0.00 -0.12 -5.04 120.51 117.87 3knz n ALA 249 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.75 3knz n ALA 249 Cb 0.44 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.07 -0.51 0.37 0.00 2.19 -0.17 -4.92 117.98 113.87 3knz s PHE 250 Ca 0.13 1.02 -0.04 0.00 0.33 0.00 0.00 56.93 58.38 3knz s PHE 250 Cb 0.10 0.40 0.02 0.00 -1.31 0.00 0.00 43.02 42.22 3knz s PHE 250 CO 0.17 -0.39 0.55 0.54 1.83 0.00 0.00 175.22 177.92 3knz s ASN 251 N -0.66 0.89 0.53 6.13 2.20 -1.26 -4.55 114.94 118.22 3knz s ASN 251 Ca -0.03 -1.49 0.30 0.00 -0.94 0.00 0.00 52.86 50.70 3knz s ASN 251 Cb -0.02 0.72 1.44 0.00 -2.00 0.00 0.00 41.25 41.39 3knz s ASN 251 CO 0.02 -1.41 1.89 0.00 -2.94 0.00 0.00 177.10 174.66 3knz h ALA 252 N 2.05 2.77 -0.00 3.54 0.00 -2.01 0.39 119.26 126.00 3knz h ALA 252 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 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 0.39 -1.02 -0.13 1.04 0.00 0.00 0.00 179.25 179.53 3knz n GLN 253 N -4.30 0.54 -2.92 0.00 1.13 -1.26 -4.85 117.38 105.72 3knz n GLN 253 Ca 0.18 -0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 3knz n GLN 253 Cb 0.92 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.73 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 -2.58 6.60 -0.08 1.08 0.01 0.13 -3.12 113.70 115.74 3knz s SER 254 Ca 0.26 1.19 0.02 0.00 1.31 0.00 0.00 55.95 58.73 3knz s SER 254 Cb 0.20 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 3knz s SER 254 CO 0.50 -0.35 -0.11 0.00 0.41 0.00 0.00 173.24 173.69 3knz s ALA 255 N -2.27 2.76 -0.12 1.44 0.00 -0.66 -4.81 121.76 118.11 3knz s ALA 255 Ca 0.52 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 3knz s ALA 255 Cb -0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 3knz s ALA 255 CO 0.27 0.48 -0.11 -1.17 0.00 0.00 0.00 175.76 175.23 3knz s LEU 256 N -0.47 2.85 0.39 0.00 2.96 -0.46 -0.33 118.68 123.62 3knz s LEU 256 Ca 0.06 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3knz s LEU 256 Cb -0.12 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 3knz s LEU 256 CO 0.02 0.21 0.05 -0.63 -1.32 0.00 0.00 176.35 174.68 3knz s ILE 257 N 0.09 2.25 -0.17 6.68 1.01 -0.19 -0.74 121.20 130.13 3knz s ILE 257 Ca -0.05 -1.93 -0.06 0.00 0.00 0.00 0.00 60.65 58.61 3knz s ILE 257 Cb -0.14 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.49 3knz s ILE 257 CO 0.04 -0.06 0.35 -0.76 0.00 0.00 0.00 174.94 174.51 3knz s LEU 259 N -3.76 -0.47 -0.72 2.97 1.43 -0.68 -1.26 118.68 116.20 3knz s LEU 259 Ca 0.36 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 3knz s LEU 259 Cb 0.05 1.08 0.18 0.00 0.03 0.00 0.00 46.19 47.53 3knz s LEU 259 CO 0.19 -0.23 0.53 0.47 0.23 0.00 0.00 176.35 177.54 3knz n ASP 260 N 5.32 3.15 0.22 2.29 9.92 0.13 -4.41 116.55 133.15 3knz n ASP 260 Ca -0.08 -3.23 0.07 0.00 -0.53 0.00 0.00 54.79 51.02 3knz n ASP 260 Cb 0.50 -0.77 0.57 0.00 -0.64 0.00 0.00 41.12 40.78 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 5.35 0.07 -3.65 -0.24 0.13 -1.98 -3.36 132.00 128.31 3knz h PRO 261 Ca 0.15 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 3knz h PRO 261 Cb 0.75 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.74 3knz h PRO 261 CO 0.73 0.10 -0.21 1.14 -0.23 0.00 0.00 178.00 179.54 3knz s GLN 262 N -4.99 1.14 0.17 0.86 -2.07 -1.26 -4.56 119.66 108.96 3knz s GLN 262 Ca -0.05 -0.99 -0.34 0.00 -1.82 0.00 0.00 55.36 52.17 3knz s GLN 262 Cb 0.17 0.42 -0.14 0.00 -1.09 0.00 0.00 33.01 32.37 3knz s GLN 262 CO 0.69 -0.43 1.59 -2.30 -1.32 0.00 0.00 175.29 173.51 3knz n PRO 263 N -0.22 2.23 -3.67 9.60 -0.02 -1.26 -4.97 135.00 136.69 3knz n PRO 263 Ca -0.11 0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 61.99 3knz n PRO 263 Cb 0.63 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.91 0.93 0.12 2.55 -1.08 -1.26 -5.05 116.67 113.80 3knz s ASP 264 Ca 0.78 0.22 -0.20 0.00 -0.52 0.00 0.00 52.55 52.83 3knz s ASP 264 Cb -0.66 0.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.85 3knz s ASP 264 CO 0.38 -0.25 1.73 0.00 0.52 0.00 0.00 175.17 177.55 3knz h ALA 265 N 8.40 0.19 -0.75 3.66 0.00 -1.99 -1.97 119.26 126.79 3knz h ALA 265 Ca -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3knz h ALA 265 Cb 1.12 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3knz h ALA 265 CO 0.15 -0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.35 3knz h ARG 266 N 0.10 1.07 -0.45 0.00 3.08 -1.99 -1.04 114.38 115.15 3knz h ARG 266 Ca 0.09 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3knz h ARG 266 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3knz h ARG 266 CO -0.12 0.82 -0.22 1.96 -1.07 0.00 0.00 179.97 181.34 3knz h GLN 267 N 1.06 0.93 -0.63 0.04 4.20 -1.94 -1.56 115.11 117.22 3knz h GLN 267 Ca 0.26 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3knz h GLN 267 Cb 0.11 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3knz h GLN 267 CO -0.03 1.05 0.28 -0.44 -0.67 0.00 0.00 178.83 179.02 3knz h ASP 268 N 0.80 0.84 -0.31 1.46 3.32 -1.01 -1.09 116.42 120.42 3knz h ASP 268 Ca 0.11 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3knz h ASP 268 Cb 0.78 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3knz h ASP 268 CO 0.06 0.75 0.20 -0.09 -1.72 0.00 0.00 179.24 178.45 3knz h ARG 269 N 0.87 0.41 -0.62 3.56 9.65 -1.01 0.38 114.38 127.61 3knz h ARG 269 Ca 0.21 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3knz h ARG 269 Cb 0.15 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3knz h ARG 269 CO -0.02 0.28 0.38 1.25 2.80 0.00 0.00 179.97 184.66 3knz h LEU 270 N 0.41 0.74 -0.73 3.80 5.85 -0.97 0.22 115.31 124.63 3knz h LEU 270 Ca 0.11 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3knz h LEU 270 Cb -0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3knz h LEU 270 CO -0.02 0.58 0.25 0.00 -0.34 0.00 0.00 178.44 178.90 3knz h ALA 271 N 1.19 0.95 0.01 1.25 0.00 -0.86 0.10 119.26 121.91 3knz h ALA 271 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 271 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3knz h ALA 271 CO -0.04 0.62 -0.01 1.96 0.00 0.00 0.00 179.25 181.78 3knz h GLN 272 N 1.07 -0.02 -0.08 0.00 7.50 -0.52 0.70 115.11 123.75 3knz h GLN 272 Ca 0.24 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.41 3knz h GLN 272 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 3knz h GLN 272 CO -0.01 0.22 -0.04 0.82 -1.50 0.00 0.00 178.83 178.31 3knz h ILE 273 N -0.25 0.86 -0.03 2.54 2.04 -0.72 -2.26 117.51 119.70 3knz h ILE 273 Ca -0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3knz h ILE 273 Cb 0.24 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3knz h ILE 273 CO 0.00 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.73 3knz h LEU 274 N -0.04 0.05 -1.81 1.44 3.38 -0.81 -3.02 115.31 114.50 3knz h LEU 274 Ca 0.05 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3knz h LEU 274 Cb 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3knz h LEU 274 CO -0.11 0.40 0.22 1.23 0.09 0.00 0.00 178.44 180.28 3knz h GLY 275 N 1.09 0.29 2.00 0.83 0.00 -0.25 -0.22 103.07 106.81 3knz h GLY 275 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3knz h GLY 275 CO 0.05 0.08 -0.41 0.83 0.00 0.00 0.00 176.54 177.09 3knz h GLU 276 N 0.25 0.00 0.00 4.80 4.39 -1.38 -3.28 114.58 119.36 3knz h GLU 276 Ca 0.14 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.53 3knz h GLU 276 Cb 0.25 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3knz h GLU 276 CO -0.03 0.41 -1.90 0.91 -1.16 0.00 0.00 179.01 177.24 3knz n TRP 277 N -3.94 0.73 -3.73 4.33 7.02 -0.31 -4.96 117.44 116.57 3knz n TRP 277 Ca -0.02 0.26 -0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3knz n TRP 277 Cb 0.45 -1.13 -0.10 0.00 -2.42 0.00 0.00 31.31 28.11 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 -2.57 0.01 -0.79 -0.99 -1.32 -0.25 -4.92 115.64 104.81 3knz s THR 278 Ca -0.07 -0.11 0.27 0.00 -1.21 0.00 0.00 61.69 60.57 3knz s THR 278 Cb 0.07 -0.60 0.25 0.00 -1.51 0.00 0.00 72.50 70.71 3knz s THR 278 CO 0.82 -0.06 1.77 -0.81 -2.21 0.00 0.00 174.62 174.13 3knz n PRO 279 N 2.40 0.20 -0.92 7.08 -0.04 -1.26 -4.18 135.00 138.27 3knz n PRO 279 Ca -0.15 0.15 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3knz n PRO 279 Cb 0.57 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.06 5.95 -4.18 3.54 7.64 -1.26 -4.81 113.62 118.44 3knz n SER 280 Ca 0.06 -2.38 -0.33 0.00 1.01 0.00 0.00 58.87 57.23 3knz n SER 280 Cb 0.41 -1.23 -0.16 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.69 2.14 -0.17 0.44 1.01 -1.26 -1.36 121.20 124.69 3knz s ILE 281 Ca 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3knz s ILE 281 Cb 0.15 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3knz s ILE 281 CO -0.04 0.54 -0.08 -0.31 0.00 0.00 0.00 174.94 175.06 3knz s TYR 282 N 0.82 1.98 -0.10 3.97 1.51 0.08 -4.73 117.35 120.87 3knz s TYR 282 Ca -0.07 -1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 54.72 3knz s TYR 282 Cb -0.15 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 3knz s TYR 282 CO -0.02 -0.66 -0.02 1.03 -1.11 0.00 0.00 175.55 174.77 3knz s ARG 283 N 1.54 3.08 -0.19 -0.62 0.52 -1.26 -4.12 118.95 117.91 3knz s ARG 283 Ca 0.01 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 3knz s ARG 283 Cb -0.15 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.57 3knz s ARG 283 CO -0.08 0.59 -0.18 0.42 0.02 0.00 0.00 175.30 176.06 3knz s ILE 284 N -0.58 2.08 0.00 1.52 1.01 -1.26 -0.90 121.20 123.07 3knz s ILE 284 Ca 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3knz s ILE 284 Cb -0.12 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.42 3knz s ILE 284 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3knz n GLY 285 N 4.59 -0.22 0.12 6.18 0.00 -1.03 0.20 105.19 115.02 3knz n GLY 285 Ca -0.20 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 0.05 -0.18 1.61 0.13 -1.70 -2.59 132.00 129.31 3knz h PRO 286 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3knz h PRO 286 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3knz h PRO 286 CO 0.00 0.78 0.00 1.04 -0.23 0.00 0.00 178.00 179.59 3knz n GLN 287 N -3.68 2.49 -2.29 0.86 6.02 -1.26 -4.51 117.38 115.01 3knz n GLN 287 Ca -0.01 -2.57 -0.37 0.00 -0.01 0.00 0.00 57.00 54.03 3knz n GLN 287 Cb 0.73 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 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 -2.47 3.17 0.37 5.09 -7.23 -1.25 -4.93 120.40 113.14 3knz s VAL 288 Ca 0.34 0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 61.14 3knz s VAL 288 Cb 0.27 -3.47 -0.11 0.00 0.56 0.00 0.00 36.38 33.63 3knz s VAL 288 CO 0.08 0.01 1.27 1.21 -0.31 0.00 0.00 175.10 177.36 3knz n GLU 289 N -0.32 2.04 -1.98 4.82 2.13 -1.26 -4.72 120.64 121.34 3knz n GLU 289 Ca 0.06 0.72 -0.39 0.00 0.66 0.00 0.00 57.16 58.21 3knz n GLU 289 Cb 0.48 -2.33 -0.01 0.00 0.27 0.00 0.00 31.44 29.85 3knz n GLU 289 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3knz n ASN 290 N 0.58 7.93 -3.88 4.31 2.85 -1.26 -4.65 115.26 121.14 3knz n ASN 290 Ca 0.05 -3.16 -0.23 0.00 -0.11 0.00 0.00 54.58 51.13 3knz n ASN 290 Cb 0.37 -1.35 0.14 0.00 1.24 0.00 0.00 39.78 40.19 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 1.61 0.56 0.12 1.20 0.23 -1.26 -4.99 115.26 112.73 3knz n ASN 291 Ca 0.61 -1.67 -0.01 0.00 -0.53 0.00 0.00 54.58 52.99 3knz n ASN 291 Cb 0.27 -0.74 0.25 0.00 -2.08 0.00 0.00 39.78 37.48 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 -1.07 0.17 0.79 4.83 0.00 -2.02 -3.30 103.07 102.47 3knz h GLY 292 Ca -0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3knz h GLY 292 CO 0.28 0.14 -0.03 1.41 0.00 0.00 0.00 176.54 178.35 3knz h LEU 293 N 0.13 0.33-10.37 3.11 3.38 -1.94 -3.46 115.31 106.50 3knz h LEU 293 Ca 0.01 -0.35 -0.50 0.00 0.09 0.00 0.00 57.88 57.13 3knz h LEU 293 Cb 0.81 -0.09 0.10 0.00 0.09 0.00 0.00 40.66 41.57 3knz h LEU 293 CO 0.06 0.60 0.35 0.20 0.09 0.00 0.00 178.44 179.75 3knz s ASN 294 N -5.90 4.92 -0.80 -0.43 0.01 -1.25 -4.62 114.94 106.88 3knz s ASN 294 Ca -0.14 1.48 -0.02 0.00 -0.71 0.00 0.00 52.86 53.46 3knz s ASN 294 Cb 0.06 -2.28 0.20 0.00 0.41 0.00 0.00 41.25 39.64 3knz s ASN 294 CO 0.73 -1.72 0.66 -0.22 -1.51 0.00 0.00 177.10 175.04 3knz s LEU 295 N -5.67 5.47 -0.32 0.60 2.96 -0.08 -4.84 118.68 116.81 3knz s LEU 295 Ca 0.59 -3.40 -0.27 0.00 -0.22 0.00 0.00 54.13 50.83 3knz s LEU 295 Cb -0.14 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3knz s LEU 295 CO 0.55 -0.26 0.99 0.21 -1.32 0.00 0.00 176.35 176.52 3knz s ASN 296 N 0.18 6.85 -0.09 3.68 3.84 -1.26 -2.48 114.94 125.67 3knz s ASN 296 Ca 0.24 0.93 -0.10 0.00 0.21 0.00 0.00 52.86 54.14 3knz s ASN 296 Cb -0.12 -2.50 0.02 0.00 -0.55 0.00 0.00 41.25 38.10 3knz s ASN 296 CO -0.09 -0.81 0.27 0.12 -2.79 0.00 0.00 177.10 173.80 3knz s PHE 297 N 3.45 -0.27 -1.06 0.43 5.36 -0.98 -5.01 117.98 119.91 3knz s PHE 297 Ca 0.42 0.64 -0.19 0.00 -0.96 0.00 0.00 56.93 56.84 3knz s PHE 297 Cb -0.13 0.09 -0.08 0.00 -0.34 0.00 0.00 43.02 42.57 3knz s PHE 297 CO 0.14 -0.18 2.02 -0.35 -1.46 0.00 0.00 175.22 175.40 3knz n PRO 298 N 2.69 2.05 -1.77 10.12 -0.04 -1.26 -3.48 135.00 143.32 3knz n PRO 298 Ca -0.14 -2.21 -0.37 0.00 -0.04 0.00 0.00 63.50 60.74 3knz n PRO 298 Cb 0.58 -3.13 0.06 0.00 -0.04 0.00 0.00 33.50 30.97 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 4.78 2.12 0.33 0.54 0.08 -1.26 -4.89 117.98 119.68 3knz s PHE 299 Ca 0.55 1.47 0.03 0.00 0.12 0.00 0.00 56.93 59.10 3knz s PHE 299 Cb 0.13 -3.70 0.59 0.00 -0.57 0.00 0.00 43.02 39.47 3knz s PHE 299 CO 0.05 -2.88 1.90 0.28 -0.10 0.00 0.00 175.22 174.46 3knz h VAL 300 N 0.66 1.19 -4.53 -0.44 2.07 -1.97 -3.47 116.25 109.76 3knz h VAL 300 Ca -0.51 -0.68 -0.39 0.00 0.82 0.00 0.00 66.70 65.94 3knz h VAL 300 Cb 1.33 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3knz h VAL 300 CO 0.54 0.25 -0.56 0.59 0.02 0.00 0.00 177.57 178.40 3knz n ASN 301 N -4.31 -5.28 -4.73 0.57 4.13 -1.26 -4.94 115.26 99.44 3knz n ASN 301 Ca 0.03 -0.24 -0.42 0.00 1.68 0.00 0.00 54.58 55.62 3knz n ASN 301 Cb 0.20 -4.31 -0.03 0.00 -1.54 0.00 0.00 39.78 34.11 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 -2.58 6.42 0.62 6.41 -1.08 -1.26 -4.85 116.67 120.35 3knz s ASP 302 Ca 0.27 2.85 0.37 0.00 -0.52 0.00 0.00 52.55 55.53 3knz s ASP 302 Cb -0.13 -2.61 2.07 0.00 -1.46 0.00 0.00 42.92 40.79 3knz s ASP 302 CO 0.34 -0.92 2.28 1.05 0.52 0.00 0.00 175.17 178.44 3knz h GLU 303 N 6.10 0.00 0.00 4.34 9.09 -2.01 -0.73 114.58 131.37 3knz h GLU 303 Ca -0.44 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 58.65 3knz h GLU 303 Cb 1.21 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.25 3knz h GLU 303 CO 0.89 0.01 -2.18 -0.25 0.05 0.00 0.00 179.01 177.53 3knz n ASP 304 N -3.39 2.08 -0.76 3.06 8.00 -1.26 -4.71 116.55 119.58 3knz n ASP 304 Ca -0.03 -0.09 0.10 0.00 0.71 0.00 0.00 54.79 55.48 3knz n ASP 304 Cb 0.11 -0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.19 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 -3.02 0.00 0.23 1.24 3.72 -1.16 -4.25 117.46 114.22 3knz n PHE 305 Ca -0.35 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.19 3knz n PHE 305 Cb 0.92 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 40.23 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 3.88 1.00 -0.01 4.37 0.00 -1.41 -1.71 119.26 125.38 3knz h ALA 306 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3knz h ALA 306 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3knz h ALA 306 CO 0.00 0.00 0.01 -0.39 0.00 0.00 0.00 179.25 178.87 3knz h VAL 307 N 0.00 0.92 0.00 0.00 -1.51 -1.83 -0.01 116.25 113.82 3knz h VAL 307 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3knz h VAL 307 Cb 0.03 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3knz h VAL 307 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 177.57 176.08 3knz h PHE 308 N 0.00 0.00 0.00 5.19 0.04 -1.65 -3.33 116.94 117.19 3knz h PHE 308 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 3knz h PHE 308 Cb 0.02 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 3knz h PHE 308 CO 0.00 0.00 -1.35 0.39 -0.60 0.00 0.00 178.31 176.75 3knz n GLU 309 N -2.75 0.55 0.19 1.51 1.02 -0.08 -4.50 120.64 116.58 3knz n GLU 309 Ca 0.03 0.49 0.14 0.00 -0.02 0.00 0.00 57.16 57.80 3knz n GLU 309 Cb 0.37 -1.68 0.66 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.53 -2.38 116.97 111.79 3knz h TYR 310 Ca -0.34 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 3knz h TYR 310 Cb 1.21 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.94 3knz h TYR 310 CO -0.02 0.00 -0.30 0.97 -1.05 0.00 0.00 178.16 177.76 3knz h ILE 311 N 0.00 0.15 -0.14 -2.88 6.09 -1.79 -3.37 117.51 115.56 3knz h ILE 311 Ca 0.00 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 3knz h ILE 311 Cb 0.20 1.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.46 3knz h ILE 311 CO 0.00 0.08 0.09 0.40 -3.07 0.00 0.00 178.15 175.66 3knz h ILE 312 N 0.00 1.04 -0.83 2.19 2.04 -1.65 -0.36 117.51 119.93 3knz h ILE 312 Ca -0.01 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3knz h ILE 312 Cb 1.08 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 3knz h ILE 312 CO 0.01 0.04 0.53 -0.65 0.00 0.00 0.00 178.15 178.08 3knz h PRO 313 N 0.19 1.00 -0.55 2.37 0.11 -1.74 -2.11 132.00 131.27 3knz h PRO 313 Ca 0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3knz h PRO 313 Cb -0.02 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 3knz h PRO 313 CO -0.01 0.66 0.05 -0.07 -0.21 0.00 0.00 178.00 178.42 3knz h LEU 314 N 1.03 0.87 -2.68 2.35 3.38 -1.69 -2.45 115.31 116.12 3knz h LEU 314 Ca 0.33 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3knz h LEU 314 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3knz h LEU 314 CO -0.12 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.31 3knz n GLN 315 N -4.22 0.43 0.00 1.13 6.02 -0.17 -3.22 117.38 117.36 3knz n GLN 315 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3knz n GLN 315 Cb 0.29 -1.28 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 1.22 0.00 -0.09 1.08 4.77 -0.93 -2.52 117.00 120.53 3knz n LEU 317 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3knz n LEU 317 Cb 0.22 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3knz n LEU 317 CO 0.00 0.00 0.70 0.00 -1.33 0.00 0.00 177.39 176.76 3knz h ALA 319 N 1.06 0.61 0.00 0.00 0.00 -1.82 -3.39 119.26 115.72 3knz h ALA 319 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3knz h ALA 319 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3knz h ALA 319 CO 0.06 0.95 -0.50 0.44 0.00 0.00 0.00 179.25 180.20 3knz n ILE 320 N -3.44 0.00 -0.04 0.00 -6.64 -1.22 -4.78 119.36 103.23 3knz n ILE 320 Ca 0.00 -0.31 -0.14 0.00 -1.77 0.00 0.00 62.75 60.53 3knz n ILE 320 Cb 0.79 0.86 -0.11 0.00 -1.44 0.00 0.00 39.64 39.74 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 0.04 -0.62 7.28 3.38 -1.57 -3.49 115.31 120.32 3knz h LEU 321 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3knz h LEU 321 Cb 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3knz h LEU 321 CO 0.00 0.73 0.00 -0.81 0.09 0.00 0.00 178.44 178.45