#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 -0.64 3.41 -0.00 -2.02 -3.23 115.31 112.83 3knz h LEU -4 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.88 57.72 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 0.01 -0.35 0.22 -0.00 0.00 0.00 178.44 178.33 3knz h TYR -3 N 0.00 0.80 -0.29 0.17 5.03 -2.00 -3.21 116.97 117.47 3knz h TYR -3 Ca 0.00 -0.22 -0.03 0.00 2.58 0.00 0.00 58.73 61.06 3knz h TYR -3 Cb 0.86 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 3knz h TYR -3 CO 0.00 0.94 0.05 0.74 -1.32 0.00 0.00 178.16 178.57 3knz h PHE -2 N 0.57 0.50 -0.44 -3.82 0.04 -1.97 -2.53 116.94 109.29 3knz h PHE -2 Ca 0.06 -0.07 0.09 0.00 2.80 0.00 0.00 57.97 60.85 3knz h PHE -2 Cb 0.87 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 3knz h PHE -2 CO 0.04 0.57 0.31 1.96 -0.60 0.00 0.00 178.31 180.58 3knz h GLN -1 N 0.29 0.19 -0.61 1.51 7.50 -1.70 -1.07 115.11 121.22 3knz h GLN -1 Ca 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.23 3knz h GLN -1 Cb 0.33 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3knz h GLN -1 CO 0.01 0.13 0.00 0.41 -1.50 0.00 0.00 178.83 177.87 3knz n GLY 0 N -1.56 0.90 1.87 3.46 0.00 -0.95 -3.05 105.19 105.85 3knz n GLY 0 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.17 0.00 0.06 1.61 3.02 -0.41 -2.91 115.26 116.80 3knz n ASN 2 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3knz n ASN 2 Cb 0.15 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.26 -0.15 3.52 1.02 -1.17 -4.31 120.64 119.81 3knz n GLU 3 Ca 0.00 0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 3knz n GLU 3 Cb 0.00 -1.68 0.05 0.00 -0.02 0.00 0.00 31.44 29.79 3knz n GLU 3 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3knz h THR 4 N 0.00 0.66 -0.39 2.62 2.02 -1.83 -1.36 112.91 114.62 3knz h THR 4 Ca 0.00 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3knz h THR 4 Cb 0.72 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3knz h THR 4 CO 0.00 0.03 0.07 -0.65 0.37 0.00 0.00 175.52 175.34 3knz h PRO 5 N 0.14 0.20 -0.58 6.66 0.11 -1.88 -0.59 132.00 136.05 3knz h PRO 5 Ca 0.23 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.34 3knz h PRO 5 Cb 0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 3knz h PRO 5 CO -0.37 0.13 0.38 1.25 -0.21 0.00 0.00 178.00 179.19 3knz h LEU 6 N 0.20 0.66 -0.69 2.35 5.85 -1.65 -0.08 115.31 121.94 3knz h LEU 6 Ca 0.19 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3knz h LEU 6 Cb 0.23 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3knz h LEU 6 CO -0.25 0.48 0.43 0.03 -0.34 0.00 0.00 178.44 178.79 3knz h ARG 7 N 0.78 0.82 -0.71 1.25 2.47 -0.68 -1.13 114.38 117.18 3knz h ARG 7 Ca 0.21 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.84 3knz h ARG 7 Cb -0.08 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.02 3knz h ARG 7 CO -0.05 0.55 0.26 -0.07 0.56 0.00 0.00 179.97 181.21 3knz h LEU 8 N 0.85 1.01 -0.94 3.04 3.38 -0.51 -2.74 115.31 119.39 3knz h LEU 8 Ca 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3knz h LEU 8 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3knz h LEU 8 CO -0.11 0.93 0.22 -0.07 0.09 0.00 0.00 178.44 179.50 3knz h LEU 9 N 1.03 0.92 -3.14 1.67 3.38 -0.40 -3.14 115.31 115.63 3knz h LEU 9 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3knz h LEU 9 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3knz h LEU 9 CO -0.01 0.85 0.00 -0.62 0.09 0.00 0.00 178.44 178.74 3knz n GLU 10 N -4.28 0.15 0.00 1.13 1.02 -0.49 -3.62 120.64 114.56 3knz n GLU 10 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3knz n GLU 10 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.54 0.00 0.05 -4.62 4.77 -1.19 -2.86 117.00 114.69 3knz n LEU 12 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3knz n LEU 12 Cb 0.07 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3knz n LEU 12 CO 0.00 0.00 -0.34 0.35 -1.33 0.00 0.00 177.39 176.07 3knz n THR 13 N 0.00 0.34 -2.13 -5.08 -2.24 -1.24 -4.96 114.28 98.96 3knz n THR 13 Ca 0.00 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 3knz n THR 13 Cb 0.00 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.44 4.35 -0.19 -0.78 -0.21 -1.14 -4.97 119.66 113.29 3knz s GLN 14 Ca -0.04 2.18 -0.29 0.00 0.02 0.00 0.00 55.36 57.23 3knz s GLN 14 Cb 0.12 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 31.00 3knz s GLN 14 CO 0.85 -0.26 1.02 0.95 -2.12 0.00 0.00 175.29 175.72 3knz s THR 15 N -0.43 4.72 -0.92 -0.19 -4.23 -1.26 -4.97 115.64 108.37 3knz s THR 15 Ca 0.54 2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 63.05 3knz s THR 15 Cb -0.39 -4.30 0.27 0.00 1.34 0.00 0.00 72.50 69.42 3knz s THR 15 CO 0.45 -0.11 1.12 0.54 -0.54 0.00 0.00 174.62 176.08 3knz n ARG 16 N 5.83 3.51 -0.35 3.99 5.12 -1.26 -4.85 116.66 128.65 3knz n ARG 16 Ca 0.11 -4.57 0.23 0.00 -1.93 0.00 0.00 57.85 51.68 3knz n ARG 16 Cb 0.47 -2.42 0.48 0.00 -1.16 0.00 0.00 32.46 29.83 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 5.24 0.40 -0.53 5.56 4.39 -2.00 -0.80 114.58 126.84 3knz h GLU 17 Ca 0.19 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 3knz h GLU 17 Cb 0.68 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3knz h GLU 17 CO 1.08 0.26 0.07 0.38 -1.16 0.00 0.00 179.01 179.64 3knz h ASP 18 N 0.41 0.86 0.06 1.42 2.03 -1.91 -1.20 116.42 118.09 3knz h ASP 18 Ca 0.66 -0.27 -0.10 0.00 -0.73 0.00 0.00 57.03 56.59 3knz h ASP 18 Cb 1.57 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.82 3knz h ASP 18 CO -0.43 0.92 -0.34 -0.07 -1.03 0.00 0.00 179.24 178.29 3knz h LEU 19 N 0.77 0.41 -0.17 0.15 3.38 -1.51 -2.82 115.31 115.52 3knz h LEU 19 Ca 0.16 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3knz h LEU 19 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3knz h LEU 19 CO 0.01 0.72 -0.37 -0.50 0.09 0.00 0.00 178.44 178.40 3knz h TRP 20 N 0.34 0.69 -0.92 1.13 4.06 -1.26 -1.81 115.95 118.19 3knz h TRP 20 Ca 0.04 -0.26 0.08 0.00 2.06 0.00 0.00 58.89 60.82 3knz h TRP 20 Cb 0.76 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 28.72 3knz h TRP 20 CO 0.02 1.00 0.57 0.00 -3.56 0.00 0.00 178.44 176.47 3knz h ARG 21 N 0.19 0.96 0.07 0.49 3.08 -1.20 0.24 114.38 118.20 3knz h ARG 21 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3knz h ARG 21 Cb 0.97 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3knz h ARG 21 CO 0.08 0.64 -0.03 0.00 -1.07 0.00 0.00 179.97 179.58 3knz h ALA 22 N 1.46 -0.09 -0.71 0.04 0.00 -1.46 -1.07 119.26 117.43 3knz h ALA 22 Ca 0.42 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.31 3knz h ALA 22 Cb 0.29 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3knz h ALA 22 CO -0.21 -0.45 0.37 0.00 0.00 0.00 0.00 179.25 178.95 3knz h ALA 23 N 0.63 0.97 -0.81 0.00 0.00 -0.63 0.93 119.26 120.35 3knz h ALA 23 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 23 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3knz h ALA 23 CO 0.02 -0.00 0.44 0.37 0.00 0.00 0.00 179.25 180.07 3knz h GLN 24 N 0.64 1.13 -0.04 0.00 4.15 -0.37 -2.62 115.11 118.01 3knz h GLN 24 Ca 0.34 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3knz h GLN 24 Cb 0.31 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3knz h GLN 24 CO -0.24 0.84 0.00 0.00 -1.93 0.00 0.00 178.83 177.50 3knz h ALA 25 N 1.23 0.05 -0.97 3.38 0.00 -0.15 -2.33 119.26 120.47 3knz h ALA 25 Ca 0.28 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3knz h ALA 25 Cb 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 3knz h ALA 25 CO -0.05 -0.29 0.55 1.25 0.00 0.00 0.00 179.25 180.71 3knz h LEU 26 N -0.23 0.63 0.12 0.00 6.46 -0.67 0.12 115.31 121.74 3knz h LEU 26 Ca 0.01 0.13 -0.27 0.00 -0.12 0.00 0.00 57.88 57.63 3knz h LEU 26 Cb 0.31 0.03 0.03 0.00 -0.73 0.00 0.00 40.66 40.30 3knz h LEU 26 CO 0.00 0.13 -1.13 0.74 -0.62 0.00 0.00 178.44 177.56 3knz h THR 27 N 0.59 1.32 0.00 1.05 2.02 -1.40 -2.66 112.91 113.84 3knz h THR 27 Ca 0.60 -2.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 3knz h THR 27 Cb 1.08 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 70.25 3knz h THR 27 CO -0.46 0.73 -0.01 -0.33 0.37 0.00 0.00 175.52 175.82 3knz h GLU 28 N 0.15 0.00 -0.50 6.66 5.08 -0.82 -3.29 114.58 121.86 3knz h GLU 28 Ca -0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3knz h GLU 28 Cb 1.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.02 3knz h GLU 28 CO 0.22 0.01 0.09 0.54 -1.00 0.00 0.00 179.01 178.87 3knz n ARG 29 N -3.10 3.53 -3.86 2.33 1.74 0.37 -4.98 116.66 112.68 3knz n ARG 29 Ca 0.04 -3.04 -0.27 0.00 -0.77 0.00 0.00 57.85 53.81 3knz n ARG 29 Cb 0.51 -2.06 0.02 0.00 -1.02 0.00 0.00 32.46 29.91 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 -0.21 -0.38 3.72 -0.13 0.00 -1.24 -4.94 105.19 102.01 3knz n GLY 30 Ca 0.31 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.52 3.55 -0.09 1.61 1.01 -1.00 -4.77 120.40 117.19 3knz s VAL 31 Ca 0.34 1.18 0.18 0.00 0.00 0.00 0.00 61.98 63.68 3knz s VAL 31 Cb -0.17 -3.75 -0.28 0.00 0.00 0.00 0.00 36.38 32.18 3knz s VAL 31 CO 0.84 0.13 0.43 0.35 0.00 0.00 0.00 175.10 176.84 3knz n THR 32 N 3.42 0.00 -3.70 3.92 -2.24 0.33 -4.95 114.28 111.06 3knz n THR 32 Ca 0.08 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 3knz n THR 32 Cb 0.44 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.23 1.43 -0.11 -0.78 1.70 -1.20 -4.39 118.95 112.38 3knz s ARG 33 Ca -0.06 -0.82 0.02 0.00 -0.47 0.00 0.00 55.73 54.40 3knz s ARG 33 Cb 0.12 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 35.03 3knz s ARG 33 CO 0.76 -0.62 -0.16 0.42 -1.08 0.00 0.00 175.30 174.62 3knz s ILE 34 N -3.86 2.82 -0.24 4.99 1.09 -0.28 -1.94 121.20 123.79 3knz s ILE 34 Ca 0.08 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 58.88 3knz s ILE 34 Cb -0.02 -2.15 0.04 0.00 -1.06 0.00 0.00 42.46 39.28 3knz s ILE 34 CO -0.03 0.54 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.61 3knz s ILE 35 N 0.16 2.37 -0.23 2.92 1.01 -0.34 0.03 121.20 127.11 3knz s ILE 35 Ca -0.09 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.16 3knz s ILE 35 Cb -0.15 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3knz s ILE 35 CO 0.05 0.18 0.25 -0.76 0.00 0.00 0.00 174.94 174.67 3knz s LEU 36 N 1.22 4.12 0.02 2.97 1.43 0.13 0.18 118.68 128.75 3knz s LEU 36 Ca -0.03 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3knz s LEU 36 Cb -0.17 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 3knz s LEU 36 CO -0.07 0.00 -0.12 0.28 0.23 0.00 0.00 176.35 176.67 3knz s THR 37 N 1.23 0.97 -2.99 5.49 -1.32 0.01 -1.72 115.64 117.30 3knz s THR 37 Ca 0.12 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 3knz s THR 37 Cb -0.14 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3knz s THR 37 CO 0.06 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 3knz n GLY 38 N 2.21 -1.64 3.34 6.08 0.00 -1.13 -0.88 105.19 113.18 3knz n GLY 38 Ca -0.17 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 3knz n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3knz s SER 39 N -2.59 2.12 0.66 1.61 0.01 -1.26 -4.34 113.70 109.90 3knz s SER 39 Ca 0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 3knz s SER 39 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 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 -0.42 2.88 0.31 3.44 0.00 -1.26 -1.69 105.19 108.45 3knz n GLY 40 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 1.02 -0.74 2.61 2.02 -1.97 -0.36 112.91 115.47 3knz h THR 41 Ca 0.00 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3knz h THR 41 Cb 0.00 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3knz h THR 41 CO 0.00 0.17 0.35 0.28 0.37 0.00 0.00 175.52 176.69 3knz h SER 42 N 0.92 0.98 -0.34 4.18 0.02 -1.66 0.15 113.55 117.80 3knz h SER 42 Ca 0.37 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3knz h SER 42 Cb 0.20 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3knz h SER 42 CO -0.18 0.84 0.07 0.22 -1.14 0.00 0.00 176.83 176.64 3knz h TYR 43 N 1.05 0.57 -0.85 3.45 3.20 -1.00 -2.54 116.97 120.85 3knz h TYR 43 Ca 0.26 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3knz h TYR 43 Cb 0.13 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 3knz h TYR 43 CO 0.01 0.60 0.46 0.45 -1.64 0.00 0.00 178.16 178.03 3knz h HIS 44 N 0.39 1.17 -0.92 -3.82 3.86 -0.66 -1.04 115.15 114.13 3knz h HIS 44 Ca 0.10 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3knz h HIS 44 Cb 0.32 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 3knz h HIS 44 CO 0.02 0.82 0.59 0.78 0.86 0.00 0.00 177.93 181.00 3knz h GLY 45 N 1.19 1.34 0.79 2.45 0.00 -0.89 0.14 103.07 108.09 3knz h GLY 45 Ca 0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3knz h GLY 45 CO -0.05 0.38 0.02 0.00 0.00 0.00 0.00 176.54 176.89 3knz h ALA 46 N 1.38 0.14 -0.74 3.60 0.00 -0.98 -1.04 119.26 121.62 3knz h ALA 46 Ca 0.37 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3knz h ALA 46 Cb 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3knz h ALA 46 CO -0.13 -0.21 0.33 -0.07 0.00 0.00 0.00 179.25 179.18 3knz h LEU 47 N -0.06 0.38 -0.80 0.00 3.38 -0.83 -0.57 115.31 116.80 3knz h LEU 47 Ca 0.03 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3knz h LEU 47 Cb 0.29 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3knz h LEU 47 CO 0.00 0.19 -0.14 0.74 0.09 0.00 0.00 178.44 179.32 3knz h THR 48 N 0.53 1.26 -0.00 0.22 2.02 -0.70 -3.07 112.91 113.17 3knz h THR 48 Ca 0.38 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3knz h THR 48 Cb 0.50 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3knz h THR 48 CO -0.33 0.41 -0.36 0.00 0.37 0.00 0.00 175.52 175.60 3knz n ALA 49 N -2.49 3.25 -0.05 6.16 0.00 -0.42 -4.57 120.51 122.39 3knz n ALA 49 Ca 0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 3knz n ALA 49 Cb 0.38 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 0.33 -0.31 -0.45 0.00 2.43 -1.01 -2.71 114.38 112.65 3knz h ARG 50 Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3knz h ARG 50 Cb 0.49 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.01 3knz h ARG 50 CO 0.00 -0.21 -0.25 1.15 -1.51 0.00 0.00 179.97 179.15 3knz h THR 51 N -0.32 0.32 0.00 0.20 2.02 -1.81 -0.15 112.91 113.16 3knz h THR 51 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3knz h THR 51 Cb 0.42 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3knz h THR 51 CO -0.34 0.00 0.00 0.33 0.37 0.00 0.00 175.52 175.88 3knz n PHE 52 N -5.41 0.00 0.00 3.16 7.35 -1.02 -1.38 117.46 120.16 3knz n PHE 52 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3knz n PHE 52 Cb 0.32 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 0.47 0.00 0.31 -4.13 6.02 -0.07 -1.69 117.38 118.29 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 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.91 0.00 -1.09 2.43 -1.49 0.22 114.38 113.55 3knz h ARG 55 Ca 0.00 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3knz h ARG 55 Cb 0.00 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3knz h ARG 55 CO 0.00 -0.60 -0.17 -1.49 -1.51 0.00 0.00 179.97 176.19 3knz h TRP 56 N -0.94 0.00 0.00 2.20 4.06 -1.59 -2.86 115.95 116.82 3knz h TRP 56 Ca -0.06 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.78 3knz h TRP 56 Cb 0.80 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.94 3knz h TRP 56 CO -0.17 0.17 -0.87 0.00 -3.56 0.00 0.00 178.44 174.01 3knz n ALA 58 N -2.28 -1.67 -2.95 0.00 0.00 0.75 -4.95 120.51 109.41 3knz n ALA 58 Ca -0.03 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 3knz n ALA 58 Cb 0.74 -3.50 -0.07 0.00 0.00 0.00 0.00 19.45 16.62 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 -6.52 0.81 0.43 0.00 1.43 -1.14 -5.07 118.68 108.62 3knz s LEU 59 Ca 0.22 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 3knz s LEU 59 Cb -0.10 1.45 -0.08 0.00 0.03 0.00 0.00 46.19 47.49 3knz s LEU 59 CO 0.70 -0.69 1.36 -2.84 0.23 0.00 0.00 176.35 175.11 3knz s PRO 60 N -3.01 3.80 -0.13 1.29 0.02 -1.26 -4.42 135.00 131.28 3knz s PRO 60 Ca -0.02 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.27 3knz s PRO 60 Cb 0.01 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.87 3knz s PRO 60 CO -0.06 -0.67 -0.09 0.08 -0.33 0.00 0.00 177.00 175.93 3knz s VAL 61 N -1.25 1.16 -0.02 3.83 1.01 -1.26 -1.12 120.40 122.75 3knz s VAL 61 Ca 0.60 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3knz s VAL 61 Cb -0.40 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3knz s VAL 61 CO 0.52 0.36 0.08 -1.81 0.00 0.00 0.00 175.10 174.25 3knz s ASP 62 N 1.65 5.70 -0.09 3.32 1.01 0.10 -4.99 116.67 123.38 3knz s ASP 62 Ca 0.04 0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.51 3knz s ASP 62 Cb -0.13 -1.66 0.01 0.00 1.01 0.00 0.00 42.92 42.15 3knz s ASP 62 CO -0.09 0.30 -0.16 -0.69 0.21 0.00 0.00 175.17 174.74 3knz s VAL 63 N -1.14 1.50 0.27 -1.27 1.01 -1.26 0.21 120.40 119.72 3knz s VAL 63 Ca 0.21 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 3knz s VAL 63 Cb -0.12 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3knz s VAL 63 CO 0.12 0.44 0.73 0.00 0.00 0.00 0.00 175.10 176.39 3knz s TRP 65 N -3.89 3.47 0.32 0.00 0.51 -1.26 -2.84 118.94 115.25 3knz s TRP 65 Ca 0.11 1.41 0.03 0.00 -2.12 0.00 0.00 56.10 55.54 3knz s TRP 65 Cb -0.06 -2.67 0.63 0.00 -0.81 0.00 0.00 33.47 30.56 3knz s TRP 65 CO 0.07 0.13 1.89 -1.35 -0.51 0.00 0.00 176.95 177.18 3knz h PRO 66 N 2.61 0.88 -2.49 4.98 0.11 -1.90 -3.32 132.00 132.89 3knz h PRO 66 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3knz h PRO 66 Cb 1.18 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3knz h PRO 66 CO 0.64 0.58 0.23 1.97 -0.21 0.00 0.00 178.00 181.21 3knz n PHE 67 N -4.54 0.00 -2.60 0.65 1.16 -1.26 -4.48 117.46 106.40 3knz n PHE 67 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 3knz n PHE 67 Cb 0.31 -0.39 0.00 0.00 -1.61 0.00 0.00 39.48 37.79 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 2.49 0.00 -4.92 5.98 4.77 -1.25 -5.04 117.00 119.03 3knz n LEU 69 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3knz n LEU 69 Cb 0.06 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 3knz n LEU 69 CO 0.13 0.00 0.79 1.51 -1.33 0.00 0.00 177.39 178.49 3knz s ASP 70 N -2.72 4.10 0.37 -1.43 3.84 -1.26 -4.82 116.67 114.74 3knz s ASP 70 Ca 0.00 0.54 0.04 0.00 -0.00 0.00 0.00 52.55 53.14 3knz s ASP 70 Cb 0.00 -0.91 0.72 0.00 -1.38 0.00 0.00 42.92 41.36 3knz s ASP 70 CO 0.00 -2.13 2.02 0.44 -0.00 0.00 0.00 175.17 175.50 3knz h ASP 71 N -1.17 0.63 -0.32 2.11 3.32 -1.96 -1.37 116.42 117.67 3knz h ASP 71 Ca -0.45 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 3knz h ASP 71 Cb 1.30 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3knz h ASP 71 CO 0.56 0.45 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.94 3knz h GLU 72 N 0.75 0.90 -0.42 3.56 4.81 -1.99 -0.51 114.58 121.69 3knz h GLU 72 Ca 0.21 -0.55 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3knz h GLU 72 Cb -0.05 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3knz h GLU 72 CO -0.05 1.19 0.04 1.15 -0.73 0.00 0.00 179.01 180.61 3knz h THR 73 N 0.70 1.25 -0.13 0.32 2.02 -1.83 -2.01 112.91 113.24 3knz h THR 73 Ca 0.03 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 3knz h THR 73 Cb 1.12 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3knz h THR 73 CO 0.12 0.32 -0.24 -0.07 0.37 0.00 0.00 175.52 176.02 3knz h LEU 74 N 0.55 0.22 -0.30 2.58 3.38 -1.16 -2.20 115.31 118.39 3knz h LEU 74 Ca 0.12 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 3knz h LEU 74 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3knz h LEU 74 CO 0.01 0.47 -0.79 0.00 0.09 0.00 0.00 178.44 178.23 3knz h ALA 75 N 1.55 0.48 0.00 1.53 0.00 -0.86 -3.21 119.26 118.75 3knz h ALA 75 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3knz h ALA 75 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3knz h ALA 75 CO 0.04 0.76 -0.04 0.00 0.00 0.00 0.00 179.25 180.00 3knz h ARG 76 N 0.32 0.00 -7.04 0.00 2.47 -1.24 -3.46 114.38 105.43 3knz h ARG 76 Ca -0.05 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.20 3knz h ARG 76 Cb 1.39 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.73 3knz h ARG 76 CO 0.14 0.00 0.38 0.45 0.56 0.00 0.00 179.97 181.51 3knz s SER 77 N -6.10 6.57 0.71 7.04 0.15 -0.84 -5.03 113.70 116.20 3knz s SER 77 Ca 0.07 1.92 -0.13 0.00 0.70 0.00 0.00 55.95 58.51 3knz s SER 77 Cb 0.06 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3knz s SER 77 CO 0.67 -0.62 1.11 -0.83 1.20 0.00 0.00 173.24 174.77 3knz s GLY 78 N -1.89 1.96 0.12 9.45 0.00 -1.26 -4.88 107.32 110.84 3knz s GLY 78 Ca 0.64 0.45 -0.35 0.00 0.00 0.00 0.00 44.72 45.46 3knz s GLY 78 CO 0.21 0.81 1.23 1.17 0.00 0.00 0.00 173.10 176.52 3knz n LYS 79 N -2.91 1.08 -4.09 2.90 4.81 -1.26 -4.78 118.16 113.91 3knz n LYS 79 Ca 0.10 0.39 -0.08 0.00 -0.87 0.00 0.00 58.31 57.84 3knz n LYS 79 Cb 0.52 -1.94 -0.10 0.00 0.02 0.00 0.00 35.03 33.53 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 0.11 0.58 -0.48 3.14 0.00 -1.26 -0.51 121.76 123.34 3knz s ALA 80 Ca 0.79 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 3knz s ALA 80 Cb -0.92 0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.46 3knz s ALA 80 CO 0.50 -0.29 0.63 -1.17 0.00 0.00 0.00 175.76 175.43 3knz s LEU 81 N -2.71 4.76 -0.14 0.00 2.96 -0.82 -1.47 118.68 121.27 3knz s LEU 81 Ca 0.05 -0.68 -0.20 0.00 -0.22 0.00 0.00 54.13 53.08 3knz s LEU 81 Cb 0.04 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3knz s LEU 81 CO -0.07 -0.85 0.57 -0.69 -1.32 0.00 0.00 176.35 173.99 3knz s VAL 82 N 2.72 5.10 -0.24 1.68 1.01 0.10 -1.20 120.40 129.58 3knz s VAL 82 Ca 0.18 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 3knz s VAL 82 Cb -0.17 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3knz s VAL 82 CO 0.15 0.23 -0.06 -0.69 0.00 0.00 0.00 175.10 174.72 3knz s VAL 83 N 1.17 2.97 -0.25 2.92 1.01 0.13 -1.21 120.40 127.14 3knz s VAL 83 Ca 0.29 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 3knz s VAL 83 Cb -0.16 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3knz s VAL 83 CO 0.12 0.28 0.61 -0.83 0.00 0.00 0.00 175.10 175.27 3knz s GLY 84 N 1.37 1.84 -0.08 4.51 0.00 -0.35 -0.81 107.32 113.80 3knz s GLY 84 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3knz s GLY 84 CO -0.05 1.39 -0.08 -0.42 0.00 0.00 0.00 173.10 173.94 3knz s ILE 85 N 2.40 3.58 -0.09 0.90 1.01 -0.05 -4.42 121.20 124.52 3knz s ILE 85 Ca 0.25 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 3knz s ILE 85 Cb -0.16 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3knz s ILE 85 CO 0.09 0.58 0.34 -0.55 0.00 0.00 0.00 174.94 175.40 3knz s SER 86 N -0.56 -0.31 0.38 3.58 0.15 -1.26 -4.51 113.70 111.16 3knz s SER 86 Ca 0.08 0.49 0.20 0.00 0.70 0.00 0.00 55.95 57.42 3knz s SER 86 Cb -0.12 0.57 0.23 0.00 -1.71 0.00 0.00 66.02 65.00 3knz s SER 86 CO 0.02 -0.25 1.54 1.56 1.20 0.00 0.00 173.24 177.31 3knz h GLN 87 N 4.91 0.00 0.00 5.44 1.08 -1.93 -1.74 115.11 122.87 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 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3knz h GLN 87 CO 0.33 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.80 3knz n GLY 88 N 1.15 4.23 0.07 3.46 0.00 -1.26 -3.80 105.19 109.03 3knz n GLY 88 Ca 0.03 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.58 0.00 -0.02 0.00 -1.26 -1.36 105.19 105.97 3knz n GLY 89 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.36 3.23 3.96 -0.02 0.00 -1.26 -1.35 105.19 111.11 3knz n GLY 90 Ca 0.05 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 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 5.93 0.16 1.61 1.04 -1.26 -4.85 113.70 116.34 3knz s SER 91 Ca 0.00 0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 3knz s SER 91 Cb 0.00 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.63 3knz s SER 91 CO 0.00 -0.57 1.60 -0.07 0.98 0.00 0.00 173.24 175.19 3knz h LEU 92 N 0.59 0.96 -0.41 2.42 3.38 -1.99 -1.97 115.31 118.29 3knz h LEU 92 Ca -0.47 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.23 3knz h LEU 92 Cb 1.25 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3knz h LEU 92 CO 0.57 1.05 0.16 0.28 0.09 0.00 0.00 178.44 180.59 3knz h SER 93 N 0.85 0.19 -0.51 -0.43 0.02 -1.98 0.14 113.55 111.82 3knz h SER 93 Ca 0.15 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3knz h SER 93 Cb 0.58 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3knz h SER 93 CO 0.03 0.14 0.09 0.74 -1.14 0.00 0.00 176.83 176.70 3knz h THR 94 N 0.33 1.25 -0.63 -2.27 2.02 -1.92 -0.58 112.91 111.11 3knz h THR 94 Ca 0.19 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3knz h THR 94 Cb 0.16 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3knz h THR 94 CO -0.18 0.33 0.35 0.25 0.37 0.00 0.00 175.52 176.65 3knz h LEU 95 N 0.72 0.77 -0.89 2.58 5.85 -1.00 -2.68 115.31 120.67 3knz h LEU 95 Ca 0.15 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3knz h LEU 95 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3knz h LEU 95 CO 0.01 0.64 0.17 0.00 -0.34 0.00 0.00 178.44 178.92 3knz h ALA 96 N 1.17 1.09 0.00 1.25 0.00 -0.43 -1.75 119.26 120.60 3knz h ALA 96 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3knz h ALA 96 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3knz h ALA 96 CO -0.04 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3knz n ALA 97 N -2.46 1.47 0.00 0.00 0.00 -0.25 -1.87 120.51 117.40 3knz n ALA 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3knz n ALA 97 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.50 0.00 -0.06 0.00 1.02 -0.66 -1.80 120.64 119.64 3knz n GLU 99 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3knz n GLU 99 Cb 0.08 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.57 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 0.72 -0.24 3.49 3.08 -1.64 -1.42 114.38 118.37 3knz h ARG 100 Ca 0.00 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 3knz h ARG 100 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3knz h ARG 100 CO 0.00 0.95 -0.19 0.00 -1.07 0.00 0.00 179.97 179.66 3knz h ALA 101 N 1.03 0.35 -0.53 0.04 0.00 -1.63 -3.15 119.26 115.38 3knz h ALA 101 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3knz h ALA 101 Cb 0.85 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3knz h ALA 101 CO 0.07 0.28 0.25 -0.09 0.00 0.00 0.00 179.25 179.76 3knz h ARG 102 N 0.27 0.76 0.00 0.00 2.43 -1.71 -1.61 114.38 114.53 3knz h ARG 102 Ca 0.05 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3knz h ARG 102 Cb 0.73 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3knz h ARG 102 CO 0.05 0.64 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.20 3knz h ASN 103 N 0.71 0.00 0.07 -3.80 2.35 -1.28 -1.64 115.58 111.98 3knz h ASN 103 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3knz h ASN 103 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3knz h ASN 103 CO -0.02 0.04 -0.31 0.52 -1.65 0.00 0.00 177.43 176.01 3knz n VAL 104 N -3.37 0.00 0.00 2.81 0.31 -0.96 -4.97 118.33 112.15 3knz n VAL 104 Ca -0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3knz n VAL 104 Cb 0.18 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 34.02 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 1.36 0.76 3.81 2.92 0.00 -0.62 -5.07 105.19 108.35 3knz n GLY 105 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 3.09 0.18 1.61 3.76 -0.65 -4.91 115.29 116.37 3knz s HIS 106 Ca 0.00 1.54 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 3knz s HIS 106 Cb 0.00 -2.99 -0.08 0.00 1.11 0.00 0.00 32.58 30.62 3knz s HIS 106 CO 0.00 -0.78 0.83 0.42 -0.85 0.00 0.00 174.74 174.37 3knz s ILE 107 N -2.24 4.31 0.19 0.60 1.09 -0.54 -4.20 121.20 120.40 3knz s ILE 107 Ca 0.64 1.84 0.10 0.00 -1.10 0.00 0.00 60.65 62.13 3knz s ILE 107 Cb -0.15 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.01 3knz s ILE 107 CO 0.26 0.49 -0.13 0.42 -0.10 0.00 0.00 174.94 175.88 3knz s THR 108 N -1.02 2.97 0.03 2.92 -4.23 -1.26 0.02 115.64 115.06 3knz s THR 108 Ca 0.38 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3knz s THR 108 Cb -0.24 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 3knz s THR 108 CO 0.28 -0.12 0.09 0.00 -0.54 0.00 0.00 174.62 174.33 3knz s ALA 109 N -1.73 -0.12 0.00 3.99 0.00 -0.35 -1.48 121.76 122.08 3knz s ALA 109 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3knz s ALA 109 Cb -0.08 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3knz s ALA 109 CO 0.14 -0.27 0.00 -1.13 0.00 0.00 0.00 175.76 174.50 3knz n SER 110 N 1.06 1.72 0.00 0.00 3.41 -0.24 -1.21 113.62 118.35 3knz n SER 110 Ca -0.21 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 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 1.12 7.33 0.00 -1.26 -0.04 120.51 124.66 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 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.85 0.62 3.18 0.00 0.00 -0.46 -1.35 105.19 106.32 3knz n GLY 113 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3knz n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knz s VAL 114 N -1.89 0.15 -0.03 1.61 -7.23 -1.25 -4.57 120.40 107.19 3knz s VAL 114 Ca 0.34 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 3knz s VAL 114 Cb 0.20 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.64 3knz s VAL 114 CO 0.31 -0.70 0.07 0.00 -0.31 0.00 0.00 175.10 174.47 3knz s ALA 115 N -3.91 -0.09 0.56 1.32 0.00 -1.26 -3.82 121.76 114.56 3knz s ALA 115 Ca 0.09 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 3knz s ALA 115 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3knz s ALA 115 CO -0.08 -0.10 1.04 -1.25 0.00 0.00 0.00 175.76 175.37 3knz s PRO 116 N 0.84 3.52 0.23 0.00 0.04 -1.26 -5.01 135.00 133.36 3knz s PRO 116 Ca -0.07 1.20 0.11 0.00 0.04 0.00 0.00 61.00 62.28 3knz s PRO 116 Cb -0.09 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3knz s PRO 116 CO -0.03 -0.65 -0.16 0.00 0.04 0.00 0.00 177.00 176.20 3knz s ALA 117 N -2.38 2.79 0.11 8.56 0.00 -1.25 -4.98 121.76 124.60 3knz s ALA 117 Ca 0.64 -1.70 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 3knz s ALA 117 Cb -0.15 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 3knz s ALA 117 CO 0.32 0.36 1.72 1.15 0.00 0.00 0.00 175.76 179.31 3knz h THR 118 N 2.58 0.89 0.00 0.00 2.02 -1.56 -1.80 112.91 115.05 3knz h THR 118 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3knz h THR 118 Cb 1.23 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3knz h THR 118 CO 0.55 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.74 3knz n ILE 119 N -5.15 1.01 0.21 3.11 -5.35 -1.00 -2.12 119.36 110.07 3knz n ILE 119 Ca -0.05 0.25 0.05 0.00 -0.27 0.00 0.00 62.75 62.73 3knz n ILE 119 Cb 0.08 -1.09 0.48 0.00 -1.74 0.00 0.00 39.64 37.37 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 -0.62 7.28 3.32 -1.60 -2.95 116.42 121.84 3knz h ASP 120 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3knz h ASP 120 Cb 0.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3knz h ASP 120 CO 0.00 0.26 0.42 0.03 -1.72 0.00 0.00 179.24 178.22 3knz h ARG 121 N 0.00 0.49 -0.51 3.56 3.08 -1.57 -1.24 114.38 118.18 3knz h ARG 121 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3knz h ARG 121 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3knz h ARG 121 CO 0.03 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3knz n ALA 122 N -2.50 3.35 -2.87 0.04 0.00 -1.12 -4.94 120.51 112.48 3knz n ALA 122 Ca 0.10 -1.88 -0.37 0.00 0.00 0.00 0.00 53.44 51.29 3knz n ALA 122 Cb 0.32 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 3knz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knz s ALA 123 N -2.41 3.31 0.33 0.00 0.00 -0.47 -4.74 121.76 117.77 3knz s ALA 123 Ca 0.49 -1.15 0.18 0.00 0.00 0.00 0.00 51.96 51.48 3knz s ALA 123 Cb 0.36 -2.26 0.87 0.00 0.00 0.00 0.00 23.12 22.09 3knz s ALA 123 CO 0.17 -0.56 1.86 -0.44 0.00 0.00 0.00 175.76 176.79 3knz h ASP 124 N 8.30 0.00 -3.25 0.00 3.32 -1.56 -3.41 116.42 119.81 3knz h ASP 124 Ca -0.36 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.25 3knz h ASP 124 Cb 1.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.34 3knz h ASP 124 CO 0.57 0.32 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.34 3knz s TYR 125 N -4.04 0.56 -0.42 4.55 2.02 -0.79 -5.00 117.35 114.22 3knz s TYR 125 Ca -0.02 -0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.26 3knz s TYR 125 Cb 0.13 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.96 3knz s TYR 125 CO 0.68 -0.34 0.90 0.42 -1.57 0.00 0.00 175.55 175.64 3knz s ILE 126 N 2.01 4.54 -0.43 2.71 1.09 -1.26 -1.08 121.20 128.77 3knz s ILE 126 Ca 0.04 0.88 0.05 0.00 -1.10 0.00 0.00 60.65 60.52 3knz s ILE 126 Cb -0.13 -4.38 0.43 0.00 -1.06 0.00 0.00 42.46 37.32 3knz s ILE 126 CO -0.05 -0.70 1.25 0.18 -0.10 0.00 0.00 174.94 175.52 3knz n LEU 127 N 6.96 5.15 -4.51 2.97 4.77 0.94 -4.91 117.00 128.36 3knz n LEU 127 Ca 0.06 -4.99 -0.49 0.00 -0.03 0.00 0.00 56.01 50.56 3knz n LEU 127 Cb 0.48 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3knz n LEU 127 CO 0.61 2.12 0.43 0.41 -1.33 0.00 0.00 177.39 179.63 3knz n THR 128 N -0.58 1.37 -2.39 -5.08 -1.04 -1.23 -4.67 114.28 100.65 3knz n THR 128 Ca 0.43 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.67 3knz n THR 128 Cb 0.73 -0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.61 4.22 -0.55 12.58 1.01 -0.46 -4.93 120.40 131.66 3knz s VAL 129 Ca 0.69 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.88 3knz s VAL 129 Cb -0.90 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 31.52 3knz s VAL 129 CO 0.56 -0.12 1.66 -2.16 0.00 0.00 0.00 175.10 175.04 3knz s PRO 130 N 3.46 3.03 0.00 2.72 0.04 -1.26 -4.59 135.00 138.39 3knz s PRO 130 Ca 0.56 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3knz s PRO 130 Cb -0.23 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.07 3knz s PRO 130 CO 0.16 -2.25 0.17 0.00 0.04 0.00 0.00 177.00 175.12 3knz n GLY 132 N 0.08 -2.35 4.38 0.00 0.00 -1.26 -5.12 105.19 100.91 3knz n GLY 132 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3knz n GLY 132 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3knz n GLU 133 N 1.12 0.00 0.00 1.61 -0.00 -1.26 -5.19 120.64 116.93 3knz n GLU 133 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 3knz n GLU 133 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.69 3knz n GLU 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3knz n THR 140 N 0.00 0.00 0.31 3.84 -1.04 -1.26 -5.02 114.28 111.10 3knz n THR 140 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 3knz n THR 140 Cb 0.00 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.26 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 -0.77 -2.82 2.10 -1.98 -3.36 116.57 109.73 3knz h LYS 141 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 3knz h LYS 141 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 3knz h LYS 141 CO 0.00 0.00 -0.45 0.41 -2.00 0.00 0.00 179.45 177.41 3knz n GLY 142 N -0.42 -2.09 0.10 0.07 0.00 -1.26 -0.28 105.19 101.31 3knz n GLY 142 Ca -0.00 0.93 -0.09 0.00 0.00 0.00 0.00 46.02 46.86 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 0.03 -0.44 1.61 3.20 -1.93 0.88 116.97 120.32 3knz h TYR 143 Ca 0.12 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3knz h TYR 143 Cb 0.32 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3knz h TYR 143 CO -0.82 0.00 0.26 0.45 -1.64 0.00 0.00 178.16 176.41 3knz h HIS 144 N 0.09 0.49 -0.49 -3.82 3.86 -1.38 -1.14 115.15 112.77 3knz h HIS 144 Ca 0.08 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 3knz h HIS 144 Cb 0.09 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3knz h HIS 144 CO -0.15 0.28 -0.07 0.00 0.86 0.00 0.00 177.93 178.86 3knz h THR 146 N 0.76 1.06 -0.10 0.00 2.02 -0.61 0.19 112.91 116.23 3knz h THR 146 Ca 0.13 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3knz h THR 146 Cb 0.61 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3knz h THR 146 CO 0.04 0.06 0.05 0.58 0.37 0.00 0.00 175.52 176.62 3knz h VAL 147 N 0.24 1.00 -0.74 3.16 2.07 -1.14 -1.16 116.25 119.67 3knz h VAL 147 Ca 0.07 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3knz h VAL 147 Cb -0.00 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3knz h VAL 147 CO -0.01 0.02 0.37 0.25 0.02 0.00 0.00 177.57 178.22 3knz h LEU 148 N 0.11 0.95 0.07 2.57 5.85 -1.18 -2.55 115.31 121.13 3knz h LEU 148 Ca 0.04 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3knz h LEU 148 Cb 0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3knz h LEU 148 CO -0.03 0.79 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.59 3knz h ASN 149 N 1.05 -0.40 0.00 1.25 -1.24 -0.14 0.67 115.58 116.78 3knz h ASN 149 Ca 0.26 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.32 3knz h ASN 149 Cb 0.09 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3knz h ASN 149 CO -0.04 -0.21 0.00 0.18 -1.29 0.00 0.00 177.43 176.08 3knz n LEU 150 N -5.27 0.00 0.00 0.34 4.77 -0.48 -1.81 117.00 114.55 3knz n LEU 150 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3knz n LEU 150 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3knz n LEU 150 CO 0.28 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.52 3knz n LEU 152 N 0.74 0.00 -0.13 2.23 4.77 0.23 -2.43 117.00 122.41 3knz n LEU 152 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3knz n LEU 152 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3knz n LEU 152 CO 0.00 0.00 1.04 0.25 -1.33 0.00 0.00 177.39 177.35 3knz h LEU 153 N 0.00 0.44 -0.95 2.23 5.85 -1.61 -0.05 115.31 121.21 3knz h LEU 153 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3knz h LEU 153 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3knz h LEU 153 CO 0.00 0.32 0.61 0.00 -0.34 0.00 0.00 178.44 179.02 3knz h ALA 154 N 1.17 1.30 -0.10 1.25 0.00 -1.76 -0.22 119.26 120.91 3knz h ALA 154 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3knz h ALA 154 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3knz h ALA 154 CO -0.06 0.41 -0.43 -0.07 0.00 0.00 0.00 179.25 179.10 3knz h LEU 155 N 1.12 0.23 -0.53 0.00 4.07 -1.71 -1.52 115.31 116.97 3knz h LEU 155 Ca 0.40 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 58.11 3knz h LEU 155 Cb 0.13 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3knz h LEU 155 CO -0.16 0.63 -0.44 0.00 -1.08 0.00 0.00 178.44 177.39 3knz h ALA 156 N 1.38 0.71 -0.32 1.53 0.00 0.42 -1.69 119.26 121.30 3knz h ALA 156 Ca 0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3knz h ALA 156 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3knz h ALA 156 CO 0.07 0.67 -0.37 0.28 0.00 0.00 0.00 179.25 179.89 3knz h VAL 157 N 0.56 1.29 -0.10 0.00 2.07 -0.95 -2.07 116.25 117.05 3knz h VAL 157 Ca 0.04 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 3knz h VAL 157 Cb 0.98 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3knz h VAL 157 CO 0.09 0.50 -0.23 0.00 0.02 0.00 0.00 177.57 177.95 3knz h ALA 158 N 0.97 1.44 0.20 1.67 0.00 -1.09 -2.67 119.26 119.77 3knz h ALA 158 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3knz h ALA 158 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3knz h ALA 158 CO 0.08 0.40 -0.09 0.78 0.00 0.00 0.00 179.25 180.42 3knz h GLY 159 N 0.87 -0.28 0.16 0.00 0.00 -1.06 0.21 103.07 102.97 3knz h GLY 159 Ca 0.03 0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.63 3knz h GLY 159 CO 0.03 -0.10 0.49 1.46 0.00 0.00 0.00 176.54 178.43 3knz h GLN 160 N -0.80 0.64 -0.21 4.80 1.08 -1.34 0.12 115.11 119.40 3knz h GLN 160 Ca -0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3knz h GLN 160 Cb 0.52 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3knz h GLN 160 CO 0.04 0.42 0.00 1.04 -0.95 0.00 0.00 178.83 179.39 3knz n GLN 161 N -4.85 1.56 -3.72 1.46 6.02 -1.01 -4.92 117.38 111.92 3knz n GLN 161 Ca 0.20 -0.86 -0.24 0.00 -0.01 0.00 0.00 57.00 56.09 3knz n GLN 161 Cb 0.50 -1.25 0.04 0.00 1.02 0.00 0.00 30.24 30.55 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 0.16 -5.70 -0.20 -1.09 6.02 0.40 -4.90 117.38 112.07 3knz n GLN 162 Ca 0.11 0.67 0.09 0.00 -0.01 0.00 0.00 57.00 57.86 3knz n GLN 162 Cb 0.22 -5.45 0.18 0.00 1.02 0.00 0.00 30.24 26.21 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 -4.48 1.80 -3.33 -1.09 1.74 0.72 -4.88 116.66 107.14 3knz n ARG 163 Ca -0.16 -2.67 -0.12 0.00 -0.77 0.00 0.00 57.85 54.13 3knz n ARG 163 Cb 0.62 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.87 -0.55 0.00 0.55 2.96 -1.14 -4.91 118.68 112.72 3knz s LEU 164 Ca 0.35 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 3knz s LEU 164 Cb 0.30 0.90 0.16 0.00 0.50 0.00 0.00 46.19 48.05 3knz s LEU 164 CO 0.05 -0.33 0.96 -0.90 -1.32 0.00 0.00 176.35 174.80 3knz n ASP 165 N 5.05 0.40 -0.27 3.68 5.75 -1.26 -4.69 116.55 125.21 3knz n ASP 165 Ca 0.03 -1.54 -0.02 0.00 -0.01 0.00 0.00 54.79 53.24 3knz n ASP 165 Cb 0.48 -0.70 0.09 0.00 -1.03 0.00 0.00 41.12 39.96 3knz n ASP 165 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3knz h GLY 166 N -1.07 1.08 0.85 6.12 0.00 -2.02 0.14 103.07 108.17 3knz h GLY 166 Ca -0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 3knz h GLY 166 CO 0.25 0.28 -0.41 0.83 0.00 0.00 0.00 176.54 177.49 3knz h GLU 167 N 0.89 -0.98 -0.70 4.80 4.39 -1.98 0.23 114.58 121.23 3knz h GLU 167 Ca 0.30 0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.15 3knz h GLU 167 Cb 0.05 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 3knz h GLU 167 CO -0.12 -0.66 0.37 1.96 -1.16 0.00 0.00 179.01 179.40 3knz h GLN 168 N -1.02 0.64 0.36 2.33 4.20 -1.89 0.30 115.11 120.03 3knz h GLN 168 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3knz h GLN 168 Cb 0.82 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3knz h GLN 168 CO 0.09 0.42 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.30 3knz h ARG 169 N 0.66 -0.62 -0.42 1.46 9.65 -0.52 -0.27 114.38 124.31 3knz h ARG 169 Ca 0.33 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.24 3knz h ARG 169 Cb 0.27 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 3knz h ARG 169 CO -0.22 -0.41 0.24 -0.09 2.80 0.00 0.00 179.97 182.28 3knz h ARG 170 N -0.64 0.59 -0.35 0.20 2.43 -0.03 -1.12 114.38 115.46 3knz h ARG 170 Ca -0.03 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3knz h ARG 170 Cb 0.56 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 3knz h ARG 170 CO -0.01 0.47 -0.00 1.03 -1.51 0.00 0.00 179.97 179.94 3knz h SER 171 N 0.55 -0.14 -0.24 -3.80 0.87 -0.27 0.16 113.55 110.68 3knz h SER 171 Ca 0.15 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3knz h SER 171 Cb 0.05 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3knz h SER 171 CO -0.02 -0.04 0.08 -0.07 -0.53 0.00 0.00 176.83 176.25 3knz h LEU 172 N 0.10 0.08 -0.90 2.23 3.38 -0.63 -1.44 115.31 118.13 3knz h LEU 172 Ca 0.17 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3knz h LEU 172 Cb 0.23 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3knz h LEU 172 CO -0.28 0.08 0.13 -0.07 0.09 0.00 0.00 178.44 178.39 3knz h LEU 173 N 0.19 0.89 -0.59 1.67 3.38 -0.71 -2.82 115.31 117.31 3knz h LEU 173 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3knz h LEU 173 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3knz h LEU 173 CO -0.11 0.87 0.34 -0.07 0.09 0.00 0.00 178.44 179.56 3knz h LEU 174 N 0.90 0.73 -1.27 1.67 3.38 -0.33 0.14 115.31 120.53 3knz h LEU 174 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3knz h LEU 174 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3knz h LEU 174 CO 0.00 0.60 0.00 0.54 0.09 0.00 0.00 178.44 179.67 3knz n ARG 175 N -4.60 0.14 0.00 1.13 1.74 -0.57 -0.72 116.66 113.78 3knz n ARG 175 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3knz n ARG 175 Cb 0.07 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.56 0.00 0.10 5.56 2.13 0.50 -2.29 120.64 127.21 3knz n GLU 177 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3knz n GLU 177 Cb 0.05 0.00 -0.08 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 -0.19 -0.51 5.31 3.64 -1.17 -1.68 116.57 121.97 3knz h LYS 178 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3knz h LYS 178 Cb 0.00 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 3knz h LYS 178 CO 0.00 -0.03 0.18 1.15 -2.27 0.00 0.00 179.45 178.47 3knz h THR 179 N -0.32 0.81 -0.63 1.00 2.02 -1.72 -1.78 112.91 112.30 3knz h THR 179 Ca -0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3knz h THR 179 Cb 0.25 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3knz h THR 179 CO 0.03 0.06 0.34 -0.26 0.37 0.00 0.00 175.52 176.06 3knz h PHE 180 N 0.35 0.86 0.00 3.16 0.04 -1.81 -1.82 116.94 117.71 3knz h PHE 180 Ca 0.25 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 3knz h PHE 180 Cb 0.28 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3knz h PHE 180 CO -0.17 0.61 -0.25 -0.91 -0.60 0.00 0.00 178.31 176.99 3knz h ASN 181 N 0.88 0.00 0.11 2.17 2.35 -0.46 -2.67 115.58 117.95 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 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3knz h ASN 181 CO -0.03 0.25 -0.11 1.41 -1.65 0.00 0.00 177.43 177.30 3knz n HIS 182 N -3.79 0.00 -0.11 1.19 8.25 -0.71 -4.21 115.22 115.83 3knz n HIS 182 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 3knz n HIS 182 Cb 0.35 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 1.72 0.98 -1.36 2.41 3.38 -1.17 -3.01 115.31 118.26 3knz h LEU 183 Ca 0.00 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.61 3knz h LEU 183 Cb 0.48 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3knz h LEU 183 CO 0.00 1.24 0.50 -0.65 0.09 0.00 0.00 178.44 179.62 3knz h PRO 184 N 0.75 0.73 -0.17 1.13 0.11 -1.76 0.54 132.00 133.34 3knz h PRO 184 Ca 0.06 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3knz h PRO 184 Cb 0.97 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3knz h PRO 184 CO 0.09 0.48 -0.37 0.00 -0.21 0.00 0.00 178.00 177.99 3knz h ALA 185 N 1.60 1.05 -0.03 -0.75 0.00 -1.81 -2.36 119.26 116.95 3knz h ALA 185 Ca 0.34 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3knz h ALA 185 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3knz h ALA 185 CO -0.12 0.59 -0.71 1.25 0.00 0.00 0.00 179.25 180.25 3knz h LEU 186 N 0.31 0.23 -0.02 0.00 5.85 -1.04 -1.50 115.31 119.13 3knz h LEU 186 Ca 0.03 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3knz h LEU 186 Cb 0.80 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3knz h LEU 186 CO 0.06 0.87 -0.00 0.58 -0.34 0.00 0.00 178.44 179.61 3knz h VAL 187 N 0.13 1.29 -0.08 1.05 2.07 -0.76 0.12 116.25 120.07 3knz h VAL 187 Ca -0.02 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3knz h VAL 187 Cb 1.27 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3knz h VAL 187 CO 0.11 0.23 -0.04 0.74 0.02 0.00 0.00 177.57 178.63 3knz h THR 188 N -0.31 0.87 -0.93 2.57 2.02 -1.40 -1.06 112.91 114.67 3knz h THR 188 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3knz h THR 188 Cb 0.38 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 3knz h THR 188 CO 0.00 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.49 3knz h ALA 189 N 1.05 1.32 -0.63 6.16 0.00 -1.24 -2.46 119.26 123.44 3knz h ALA 189 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3knz h ALA 189 Cb 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3knz h ALA 189 CO -0.10 0.62 0.15 0.77 0.00 0.00 0.00 179.25 180.69 3knz h SER 190 N 1.26 0.97 -0.88 0.00 0.02 -0.56 -1.89 113.55 112.47 3knz h SER 190 Ca 0.34 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3knz h SER 190 Cb -0.13 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.12 3knz h SER 190 CO -0.07 0.95 0.48 -0.61 -1.14 0.00 0.00 176.83 176.44 3knz h GLN 191 N 0.94 1.23 -0.11 3.45 4.15 -0.75 0.13 115.11 124.14 3knz h GLN 191 Ca 0.20 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3knz h GLN 191 Cb 0.37 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 3knz h GLN 191 CO 0.00 0.91 -0.01 0.00 -1.93 0.00 0.00 178.83 177.80 3knz h ALA 192 N 1.28 0.15 -0.33 3.38 0.00 -1.29 -1.60 119.26 120.86 3knz h ALA 192 Ca 0.31 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 192 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3knz h ALA 192 CO -0.05 -0.14 0.10 2.35 0.00 0.00 0.00 179.25 181.51 3knz h TRP 193 N -0.08 0.18 -0.33 0.00 7.01 -1.06 -1.12 115.95 120.55 3knz h TRP 193 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3knz h TRP 193 Cb 0.38 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 3knz h TRP 193 CO 0.04 0.07 0.19 0.00 -2.79 0.00 0.00 178.44 175.95 3knz h ALA 194 N 1.22 0.42 0.00 2.65 0.00 -0.72 -1.52 119.26 121.30 3knz h ALA 194 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3knz h ALA 194 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3knz h ALA 194 CO -0.16 -0.07 -0.24 1.96 0.00 0.00 0.00 179.25 180.74 3knz h GLN 195 N 0.41 0.00 -0.06 0.00 4.20 -1.03 -1.51 115.11 117.12 3knz h GLN 195 Ca 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3knz h GLN 195 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3knz h GLN 195 CO -0.02 0.24 -0.17 1.15 -0.67 0.00 0.00 178.83 179.36 3knz h THR 196 N 0.00 1.43 -0.97 -0.54 2.02 -0.83 -3.30 112.91 110.72 3knz h THR 196 Ca -0.00 -1.53 -0.61 0.00 0.77 0.00 0.00 66.41 65.03 3knz h THR 196 Cb 0.47 2.27 -0.30 0.00 -1.74 0.00 0.00 68.15 68.86 3knz h THR 196 CO 0.03 0.43 0.72 0.59 0.37 0.00 0.00 175.52 177.66 3knz n ASN 197 N -4.58 6.23 0.07 4.18 3.02 -0.61 -4.65 115.26 118.92 3knz n ASN 197 Ca -0.08 -3.73 -0.04 0.00 -0.03 0.00 0.00 54.58 50.70 3knz n ASN 197 Cb 0.40 -0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.67 -0.35 -0.37 5.41 0.00 -1.36 -3.18 119.26 121.08 3knz h ALA 198 Ca 0.60 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.53 3knz h ALA 198 Cb 1.51 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 3knz h ALA 198 CO 1.38 -0.33 -0.11 -0.07 0.00 0.00 0.00 179.25 180.12 3knz h LEU 199 N -0.67 -0.39 -0.32 0.00 3.38 -1.86 0.26 115.31 115.73 3knz h LEU 199 Ca -0.02 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3knz h LEU 199 Cb 0.18 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3knz h LEU 199 CO 0.04 -0.14 -0.10 0.00 0.09 0.00 0.00 178.44 178.33 3knz h ALA 200 N 1.34 0.18 -0.43 1.53 0.00 -1.89 -0.07 119.26 119.91 3knz h ALA 200 Ca 0.18 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 3knz h ALA 200 Cb 0.29 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3knz h ALA 200 CO -0.39 -0.48 -0.20 -0.07 0.00 0.00 0.00 179.25 178.10 3knz h LEU 201 N -0.03 0.86 -0.62 0.00 3.38 -1.41 -3.03 115.31 114.47 3knz h LEU 201 Ca 0.16 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3knz h LEU 201 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3knz h LEU 201 CO -0.34 1.04 0.29 0.03 0.09 0.00 0.00 178.44 179.54 3knz h ARG 202 N 0.74 0.89 0.00 1.13 3.08 -0.38 -2.98 114.38 116.86 3knz h ARG 202 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3knz h ARG 202 Cb 0.73 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3knz h ARG 202 CO 0.06 0.73 0.00 -0.40 -1.07 0.00 0.00 179.97 179.29 3knz n ASP 203 N -4.50 0.00 -4.87 7.04 3.85 -0.09 -4.82 116.55 113.16 3knz n ASP 203 Ca 0.04 -0.95 -0.33 0.00 -0.71 0.00 0.00 54.79 52.83 3knz n ASP 203 Cb 0.13 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.85 3knz n ASP 203 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3knz s SER 204 N -1.78 6.62 0.06 -1.12 1.04 -1.13 -5.02 113.70 112.38 3knz s SER 204 Ca 0.25 0.81 -0.26 0.00 0.48 0.00 0.00 55.95 57.23 3knz s SER 204 Cb 0.11 -2.18 -0.17 0.00 0.10 0.00 0.00 66.02 63.88 3knz s SER 204 CO 0.19 0.08 1.58 0.00 0.98 0.00 0.00 173.24 176.07 3knz h ALA 205 N 3.20 -0.29 -2.34 5.32 0.00 -1.86 -3.46 119.26 119.83 3knz h ALA 205 Ca -0.48 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 3knz h ALA 205 Cb 1.18 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 3knz h ALA 205 CO 0.68 -0.61 -0.59 0.16 0.00 0.00 0.00 179.25 178.89 3knz s ASP 206 N -5.03 0.36 0.03 0.00 1.47 -1.26 -4.52 116.67 107.72 3knz s ASP 206 Ca -0.15 -0.95 0.08 0.00 1.18 0.00 0.00 52.55 52.71 3knz s ASP 206 Cb 0.04 0.26 -0.03 0.00 -0.34 0.00 0.00 42.92 42.85 3knz s ASP 206 CO 0.63 -0.66 -0.24 -0.63 0.68 0.00 0.00 175.17 174.96 3knz s ILE 207 N -3.93 1.91 -0.05 2.11 1.01 -0.72 -1.53 121.20 120.00 3knz s ILE 207 Ca 0.10 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.53 3knz s ILE 207 Cb 0.07 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.92 3knz s ILE 207 CO -0.08 0.33 -0.12 -0.13 0.00 0.00 0.00 174.94 174.95 3knz s ARG 208 N -1.09 1.46 -0.02 2.79 1.81 0.28 -2.72 118.95 121.46 3knz s ARG 208 Ca 0.10 -0.40 0.03 0.00 -1.72 0.00 0.00 55.73 53.74 3knz s ARG 208 Cb -0.09 -1.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.11 3knz s ARG 208 CO 0.01 0.08 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.12 3knz s LEU 209 N 0.45 3.08 0.08 2.53 1.43 -0.16 -0.73 118.68 125.35 3knz s LEU 209 Ca -0.09 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3knz s LEU 209 Cb -0.13 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3knz s LEU 209 CO 0.02 0.31 0.21 0.28 0.23 0.00 0.00 176.35 177.40 3knz s THR 210 N -0.91 0.13 0.03 5.49 -1.32 -0.41 -0.29 115.64 118.36 3knz s THR 210 Ca 0.15 -1.08 -0.28 0.00 -1.21 0.00 0.00 61.69 59.27 3knz s THR 210 Cb -0.11 -1.25 0.10 0.00 -1.51 0.00 0.00 72.50 69.73 3knz s THR 210 CO 0.05 -0.60 1.23 -0.83 -2.21 0.00 0.00 174.62 172.26 3knz s GLY 211 N -2.71 -0.21 0.82 6.08 0.00 -1.15 -1.09 107.32 109.06 3knz s GLY 211 Ca 0.03 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 3knz s GLY 211 CO -0.10 2.53 1.10 2.56 0.00 0.00 0.00 173.10 179.19 3knz s PRO 212 N -2.29 1.86 0.44 2.90 0.04 -1.26 -0.65 135.00 136.04 3knz s PRO 212 Ca 0.21 1.14 0.23 0.00 0.04 0.00 0.00 61.00 62.62 3knz s PRO 212 Cb 0.01 -1.85 1.23 0.00 0.04 0.00 0.00 34.50 33.93 3knz s PRO 212 CO -0.01 -1.92 1.80 0.00 0.04 0.00 0.00 177.00 176.92 3knz h ALA 213 N -1.33 2.46 0.00 8.56 0.00 -1.96 0.39 119.26 127.39 3knz h ALA 213 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3knz h ALA 213 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3knz h ALA 213 CO 0.51 -0.82 0.00 0.25 0.00 0.00 0.00 179.25 179.18 3knz n THR 214 N -4.49 1.35 -1.53 0.00 -2.24 -1.26 -2.09 114.28 104.02 3knz n THR 214 Ca 0.24 0.47 0.07 0.00 -2.27 0.00 0.00 64.05 62.55 3knz n THR 214 Cb 0.93 -1.40 0.13 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.82 2.01 -0.08 3.22 4.77 0.12 -4.81 117.00 120.42 3knz n LEU 215 Ca 0.01 -2.97 -0.09 0.00 -0.03 0.00 0.00 56.01 52.93 3knz n LEU 215 Cb 0.08 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3knz n LEU 215 CO 0.09 0.86 0.98 0.15 -1.33 0.00 0.00 177.39 178.14 3knz h PHE 216 N 0.45 0.35 -0.76 -1.77 3.57 -1.43 -1.06 116.94 116.28 3knz h PHE 216 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3knz h PHE 216 Cb 1.15 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 3knz h PHE 216 CO 0.29 0.23 0.50 0.78 -2.23 0.00 0.00 178.31 177.87 3knz h GLY 217 N 0.37 1.03 0.88 2.40 0.00 -1.84 -1.32 103.07 104.59 3knz h GLY 217 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3knz h GLY 217 CO -0.02 0.25 0.08 -0.84 0.00 0.00 0.00 176.54 176.00 3knz h THR 218 N 0.82 1.19 0.00 4.70 2.02 -1.55 -2.05 112.91 118.04 3knz h THR 218 Ca 0.32 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3knz h THR 218 Cb 0.22 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3knz h THR 218 CO -0.11 0.20 -0.39 -0.37 0.37 0.00 0.00 175.52 175.22 3knz h VAL 219 N 0.22 0.94 -0.04 3.16 -1.51 -0.80 -0.99 116.25 117.23 3knz h VAL 219 Ca 0.08 -1.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.00 3knz h VAL 219 Cb 0.23 1.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3knz h VAL 219 CO -0.00 0.38 -0.06 1.56 -1.23 0.00 0.00 177.57 178.22 3knz h GLN 220 N 0.00 0.11 -0.43 5.19 1.08 -1.14 -0.51 115.11 119.41 3knz h GLN 220 Ca -0.00 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 3knz h GLN 220 Cb 0.89 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 3knz h GLN 220 CO 0.05 0.62 -0.10 1.49 -0.95 0.00 0.00 178.83 179.94 3knz h GLU 221 N -0.39 0.77 -0.25 1.46 4.57 -1.31 -0.84 114.58 118.58 3knz h GLU 221 Ca 0.00 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3knz h GLU 221 Cb 0.61 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3knz h GLU 221 CO 0.01 0.84 0.12 0.78 -1.18 0.00 0.00 179.01 179.58 3knz h GLY 222 N 0.97 0.40 0.87 1.92 0.00 -1.17 -0.99 103.07 105.07 3knz h GLY 222 Ca 0.12 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3knz h GLY 222 CO 0.04 0.19 0.17 0.00 0.00 0.00 0.00 176.54 176.94 3knz h ALA 223 N 0.97 0.40 0.17 3.60 0.00 -0.79 -3.14 119.26 120.46 3knz h ALA 223 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3knz h ALA 223 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3knz h ALA 223 CO -0.01 -0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.21 3knz h LEU 224 N 0.35 -0.19 -1.69 0.00 5.85 -0.93 -0.25 115.31 118.46 3knz h LEU 224 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3knz h LEU 224 Cb 0.03 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3knz h LEU 224 CO -0.08 -0.12 0.00 0.29 -0.34 0.00 0.00 178.44 178.19 3knz n LYS 225 N -5.18 0.23 0.00 1.25 4.76 -0.40 -1.12 118.16 117.70 3knz n LYS 225 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3knz n LYS 225 Cb 0.12 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.73 0.00 0.06 -0.35 7.94 -0.10 -1.25 117.00 124.03 3knz n LEU 227 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 3knz n LEU 227 Cb 0.09 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.45 3knz n LEU 227 CO 0.00 0.00 1.01 -0.08 -1.11 0.00 0.00 177.39 177.21 3knz h GLU 228 N 0.00 0.38 0.00 1.96 4.81 -1.37 -0.40 114.58 119.96 3knz h GLU 228 Ca 0.00 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 58.88 3knz h GLU 228 Cb 0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3knz h GLU 228 CO 0.00 0.38 -1.66 2.41 -0.73 0.00 0.00 179.01 179.41 3knz n THR 229 N -4.37 1.53 0.24 0.32 -1.04 -0.38 -4.41 114.28 106.16 3knz n THR 229 Ca 0.01 -0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.01 3knz n THR 229 Cb 0.18 -2.02 0.44 0.00 -1.82 0.00 0.00 70.33 67.11 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 -1.24 -4.42 3.38 -1.79 -3.48 115.31 106.76 3knz h LEU 230 Ca -0.44 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.18 3knz h LEU 230 Cb 1.36 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.26 3knz h LEU 230 CO -0.27 0.11 -0.68 0.54 0.09 0.00 0.00 178.44 178.22 3knz n ARG 231 N -3.19 -6.96 -3.66 1.13 5.12 -0.16 -5.01 116.66 103.93 3knz n ARG 231 Ca 0.01 0.79 -0.10 0.00 -1.93 0.00 0.00 57.85 56.63 3knz n ARG 231 Cb 0.43 -5.70 -0.04 0.00 -1.16 0.00 0.00 32.46 25.99 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 -0.27 2.53 -3.66 0.00 -0.02 -1.26 -4.42 135.00 127.89 3knz n PRO 233 Ca -0.14 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3knz n PRO 233 Cb 0.63 -2.75 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 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 1.70 -0.45 0.09 -1.45 1.01 -1.26 -1.75 120.40 118.29 3knz s VAL 234 Ca 0.79 0.26 0.08 0.00 0.00 0.00 0.00 61.98 63.12 3knz s VAL 234 Cb -0.57 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3knz s VAL 234 CO 0.37 0.11 -0.21 -0.44 0.00 0.00 0.00 175.10 174.93 3knz s SER 235 N 2.45 2.56 -0.14 3.32 0.01 -1.10 -4.64 113.70 116.16 3knz s SER 235 Ca 0.01 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.62 3knz s SER 235 Cb -0.12 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.96 3knz s SER 235 CO -0.09 0.08 -0.18 -0.83 0.41 0.00 0.00 173.24 172.63 3knz s GLY 236 N -1.80 1.43 0.13 3.44 0.00 -1.26 -0.99 107.32 108.28 3knz s GLY 236 Ca 0.07 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.85 3knz s GLY 236 CO 0.04 -0.05 -0.23 -0.19 0.00 0.00 0.00 173.10 172.67 3knz s TYR 237 N 0.71 2.00 0.25 1.90 1.51 0.60 -4.71 117.35 119.61 3knz s TYR 237 Ca -0.08 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 3knz s TYR 237 Cb -0.16 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.54 3knz s TYR 237 CO 0.01 0.30 1.08 -2.00 -1.11 0.00 0.00 175.55 173.83 3knz s GLU 238 N -2.18 4.65 0.16 -0.62 -6.30 -1.26 -2.93 118.70 110.21 3knz s GLU 238 Ca 0.12 1.74 -0.28 0.00 -2.50 0.00 0.00 54.97 54.05 3knz s GLU 238 Cb -0.09 -3.23 -0.02 0.00 0.00 0.00 0.00 34.13 30.80 3knz s GLU 238 CO 0.06 0.21 1.56 0.35 0.02 0.00 0.00 175.26 177.46 3knz h PHE 239 N 4.24 -1.43 -0.72 5.30 3.57 -1.19 -1.08 116.94 125.63 3knz h PHE 239 Ca -0.46 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 3knz h PHE 239 Cb 1.21 0.70 -0.03 0.00 2.79 0.00 0.00 35.95 40.61 3knz h PHE 239 CO 0.60 -0.44 0.36 0.93 -2.23 0.00 0.00 178.31 177.53 3knz h GLU 240 N -0.28 1.01 -0.78 1.11 4.39 -1.93 -1.58 114.58 116.51 3knz h GLU 240 Ca 0.14 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3knz h GLU 240 Cb 0.57 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3knz h GLU 240 CO -0.66 0.77 0.33 0.93 -1.16 0.00 0.00 179.01 179.22 3knz h GLU 241 N 1.01 1.15 -0.42 2.33 4.39 -1.83 -1.19 114.58 120.03 3knz h GLU 241 Ca 0.25 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3knz h GLU 241 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3knz h GLU 241 CO -0.04 0.92 0.26 0.35 -1.16 0.00 0.00 179.01 179.34 3knz h PHE 242 N 1.13 0.55 -0.35 4.33 3.57 -0.49 -2.06 116.94 123.60 3knz h PHE 242 Ca 0.26 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3knz h PHE 242 Cb 0.19 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3knz h PHE 242 CO 0.02 0.38 0.15 0.82 -2.23 0.00 0.00 178.31 177.45 3knz h ILE 243 N 0.55 1.18 -0.68 1.41 1.08 -1.03 0.22 117.51 120.24 3knz h ILE 243 Ca 0.15 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 3knz h ILE 243 Cb -0.01 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3knz h ILE 243 CO -0.03 0.19 0.45 -0.74 -0.69 0.00 0.00 178.15 177.33 3knz h HIS 244 N 0.43 0.82 -0.52 1.37 2.76 -0.98 -2.74 115.15 116.30 3knz h HIS 244 Ca 0.12 0.02 -0.38 0.00 -2.20 0.00 0.00 60.37 57.93 3knz h HIS 244 Cb 0.16 -0.28 -0.29 0.00 1.55 0.00 0.00 27.41 28.55 3knz h HIS 244 CO -0.01 0.49 -0.68 0.41 -1.30 0.00 0.00 177.93 176.85 3knz n GLY 245 N -1.44 5.98 0.25 5.26 0.00 -0.80 -4.87 105.19 109.58 3knz n GLY 245 Ca 0.08 -2.22 0.03 0.00 0.00 0.00 0.00 46.02 43.91 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 1.77 0.63 0.00 -0.61 6.09 -0.63 -2.10 117.51 122.66 3knz h ILE 246 Ca 0.26 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 3knz h ILE 246 Cb 1.37 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3knz h ILE 246 CO 0.53 0.06 0.00 -1.22 -3.07 0.00 0.00 178.15 174.45 3knz n TYR 247 N -5.10 0.24 0.88 2.19 4.01 -1.26 -0.56 117.16 117.57 3knz n TYR 247 Ca 0.11 0.09 0.09 0.00 -0.16 0.00 0.00 57.90 58.04 3knz n TYR 247 Cb 0.37 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 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 -1.72 1.54 -0.03 7.72 3.02 -0.82 -4.50 115.26 120.47 3knz n ASN 248 Ca 0.03 -1.27 0.01 0.00 -0.03 0.00 0.00 54.58 53.33 3knz n ASN 248 Cb 0.21 0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 40.02 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 -0.53 2.37 -3.43 5.41 0.00 -0.38 -5.07 120.51 118.87 3knz n ALA 249 Ca 0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 3knz n ALA 249 Cb 0.37 -0.09 -0.07 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 -0.98 -0.52 0.36 0.00 2.19 0.28 -4.93 117.98 114.37 3knz s PHE 250 Ca 0.02 0.86 -0.12 0.00 0.33 0.00 0.00 56.93 58.01 3knz s PHE 250 Cb 0.02 0.33 0.04 0.00 -1.31 0.00 0.00 43.02 42.10 3knz s PHE 250 CO 0.09 -0.56 0.69 0.54 1.83 0.00 0.00 175.22 177.81 3knz s ASN 251 N -1.29 0.23 0.64 6.13 2.20 -1.26 -4.56 114.94 117.03 3knz s ASN 251 Ca -0.11 -1.20 0.35 0.00 -0.94 0.00 0.00 52.86 50.96 3knz s ASN 251 Cb -0.01 0.79 1.96 0.00 -2.00 0.00 0.00 41.25 41.99 3knz s ASN 251 CO 0.08 -1.55 2.16 0.00 -2.94 0.00 0.00 177.10 174.84 3knz h ALA 252 N 2.04 1.34 -0.01 3.54 0.00 -2.00 -1.14 119.26 123.02 3knz h ALA 252 Ca -0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3knz h ALA 252 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3knz h ALA 252 CO 0.39 -0.18 -0.16 1.04 0.00 0.00 0.00 179.25 180.34 3knz n GLN 253 N -3.24 1.04 -2.95 0.00 1.13 -1.26 -4.87 117.38 107.22 3knz n GLN 253 Ca -0.01 -0.56 -0.26 0.00 -1.94 0.00 0.00 57.00 54.23 3knz n GLN 253 Cb 0.23 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.35 6.23 -0.04 1.08 0.01 -0.43 -3.18 113.70 115.02 3knz s SER 254 Ca 0.29 0.69 0.05 0.00 1.31 0.00 0.00 55.95 58.30 3knz s SER 254 Cb 0.20 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 3knz s SER 254 CO 0.46 -0.48 -0.19 0.00 0.41 0.00 0.00 173.24 173.43 3knz s ALA 255 N -2.57 2.44 -0.09 1.44 0.00 -0.58 -4.82 121.76 117.58 3knz s ALA 255 Ca 0.45 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3knz s ALA 255 Cb -0.10 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3knz s ALA 255 CO 0.41 0.53 -0.12 -1.17 0.00 0.00 0.00 175.76 175.41 3knz s LEU 256 N -0.63 2.86 0.29 0.00 2.96 -0.38 -0.55 118.68 123.22 3knz s LEU 256 Ca 0.10 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 3knz s LEU 256 Cb -0.11 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 3knz s LEU 256 CO 0.00 0.28 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.60 3knz s ILE 257 N -0.32 1.78 -0.10 6.68 1.01 0.09 -0.25 121.20 130.09 3knz s ILE 257 Ca 0.03 -2.15 -0.04 0.00 0.00 0.00 0.00 60.65 58.49 3knz s ILE 257 Cb -0.13 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.94 3knz s ILE 257 CO 0.03 -0.30 0.22 -0.76 0.00 0.00 0.00 174.94 174.12 3knz s LEU 259 N -3.47 0.09 -0.59 2.97 1.43 -0.25 -1.29 118.68 117.57 3knz s LEU 259 Ca 0.30 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.93 3knz s LEU 259 Cb 0.03 0.56 0.26 0.00 0.03 0.00 0.00 46.19 47.08 3knz s LEU 259 CO 0.12 -0.21 0.74 0.47 0.23 0.00 0.00 176.35 177.71 3knz n ASP 260 N 4.88 3.31 0.26 2.29 8.00 0.13 -4.39 116.55 131.02 3knz n ASP 260 Ca -0.14 -3.37 0.17 0.00 0.71 0.00 0.00 54.79 52.16 3knz n ASP 260 Cb 0.51 -0.65 0.90 0.00 -0.02 0.00 0.00 41.12 41.86 3knz n ASP 260 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3knz h PRO 261 N 3.97 0.00 -3.34 -0.24 0.13 -1.98 -3.37 132.00 127.16 3knz h PRO 261 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 3knz h PRO 261 Cb 0.68 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.67 3knz h PRO 261 CO 0.78 0.00 -0.10 1.14 -0.23 0.00 0.00 178.00 179.59 3knz s GLN 262 N -4.56 1.02 0.20 0.86 -2.07 -1.26 -4.64 119.66 109.21 3knz s GLN 262 Ca -0.05 -0.65 -0.33 0.00 -1.82 0.00 0.00 55.36 52.52 3knz s GLN 262 Cb 0.15 0.45 -0.14 0.00 -1.09 0.00 0.00 33.01 32.38 3knz s GLN 262 CO 0.52 -0.39 1.49 -2.30 -1.32 0.00 0.00 175.29 173.30 3knz n PRO 263 N -0.05 2.07 -3.61 9.60 -0.02 -1.26 -5.00 135.00 136.73 3knz n PRO 263 Ca -0.17 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 61.87 3knz n PRO 263 Cb 0.63 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.59 1.12 0.17 2.55 -1.08 -1.26 -5.04 116.67 113.72 3knz s ASP 264 Ca 0.74 0.06 -0.16 0.00 -0.52 0.00 0.00 52.55 52.68 3knz s ASP 264 Cb -0.67 0.24 0.13 0.00 -1.46 0.00 0.00 42.92 41.16 3knz s ASP 264 CO 0.44 -0.28 1.68 0.00 0.52 0.00 0.00 175.17 177.53 3knz h ALA 265 N 8.36 0.36 0.03 3.66 0.00 -1.99 -0.11 119.26 129.57 3knz h ALA 265 Ca -0.14 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knz h ALA 265 Cb 1.13 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3knz h ALA 265 CO 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.02 3knz h ARG 266 N 0.07 -0.04 -0.75 0.00 3.08 -1.99 -0.81 114.38 113.95 3knz h ARG 266 Ca 0.21 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3knz h ARG 266 Cb 0.31 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3knz h ARG 266 CO -0.38 0.13 0.50 1.96 -1.07 0.00 0.00 179.97 181.11 3knz h GLN 267 N -0.20 0.96 -0.34 0.04 4.20 -1.93 -0.57 115.11 117.28 3knz h GLN 267 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3knz h GLN 267 Cb 0.18 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3knz h GLN 267 CO 0.01 0.64 0.15 -0.44 -0.67 0.00 0.00 178.83 178.51 3knz h ASP 268 N 0.99 0.45 -0.91 1.46 3.32 -0.80 -2.12 116.42 118.82 3knz h ASP 268 Ca 0.28 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3knz h ASP 268 Cb -0.07 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3knz h ASP 268 CO -0.07 0.48 0.54 -0.09 -1.72 0.00 0.00 179.24 178.38 3knz h ARG 269 N 0.40 1.24 -0.35 3.56 9.65 -0.17 -0.50 114.38 128.20 3knz h ARG 269 Ca 0.11 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3knz h ARG 269 Cb 0.16 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 3knz h ARG 269 CO -0.01 0.87 0.12 1.25 2.80 0.00 0.00 179.97 185.01 3knz h LEU 270 N 1.25 0.50 -1.66 3.80 5.85 -1.02 -0.64 115.31 123.40 3knz h LEU 270 Ca 0.32 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3knz h LEU 270 Cb -0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3knz h LEU 270 CO -0.06 0.56 0.16 0.00 -0.34 0.00 0.00 178.44 178.76 3knz h ALA 271 N 0.96 1.74 -0.05 1.25 0.00 -0.76 0.74 119.26 123.16 3knz h ALA 271 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 271 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3knz h ALA 271 CO -0.01 0.22 -0.16 1.96 0.00 0.00 0.00 179.25 181.27 3knz h GLN 272 N 0.39 0.19 0.80 0.00 4.20 -0.73 -1.90 115.11 118.07 3knz h GLN 272 Ca 0.10 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3knz h GLN 272 Cb 0.01 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.82 3knz h GLN 272 CO -0.02 0.77 -0.39 0.82 -0.67 0.00 0.00 178.83 179.34 3knz h ILE 273 N -0.35 0.21 -0.28 2.54 2.04 -0.49 -2.56 117.51 118.62 3knz h ILE 273 Ca -0.01 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3knz h ILE 273 Cb 0.78 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3knz h ILE 273 CO 0.03 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.30 3knz h LEU 274 N -1.09 0.21 -1.78 1.44 3.38 -1.01 -2.02 115.31 114.45 3knz h LEU 274 Ca -0.11 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3knz h LEU 274 Cb 0.83 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3knz h LEU 274 CO 0.18 0.15 0.33 1.23 0.09 0.00 0.00 178.44 180.42 3knz h GLY 275 N 0.25 0.35 2.00 0.83 0.00 -0.92 0.67 103.07 106.24 3knz h GLY 275 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3knz h GLY 275 CO -0.02 0.07 0.00 0.83 0.00 0.00 0.00 176.54 177.42 3knz h GLU 276 N 0.26 0.00 0.00 4.80 4.39 -1.19 -3.18 114.58 119.66 3knz h GLU 276 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3knz h GLU 276 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3knz h GLU 276 CO -0.04 0.00 -1.66 0.91 -1.16 0.00 0.00 179.01 177.05 3knz n TRP 277 N -3.07 0.00 -3.60 4.33 7.02 0.13 -5.01 117.44 117.25 3knz n TRP 277 Ca 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 3knz n TRP 277 Cb 0.30 -0.34 -0.07 0.00 -2.42 0.00 0.00 31.31 28.78 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 -3.17 0.00 -1.75 -0.99 -1.32 -0.64 -4.86 115.64 102.92 3knz s THR 278 Ca -0.04 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.71 3knz s THR 278 Cb 0.12 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.46 3knz s THR 278 CO 0.76 0.00 1.68 -0.81 -2.21 0.00 0.00 174.62 174.03 3knz n PRO 279 N 1.88 0.82 -1.23 7.08 -0.04 -1.26 -4.17 135.00 138.07 3knz n PRO 279 Ca -0.14 -0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 62.58 3knz n PRO 279 Cb 0.56 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.72 7.86 -4.15 3.54 7.64 -1.26 -4.85 113.62 121.67 3knz n SER 280 Ca 0.13 -2.55 -0.33 0.00 1.01 0.00 0.00 58.87 57.14 3knz n SER 280 Cb 0.32 -1.52 -0.16 0.00 -1.01 0.00 0.00 64.21 61.84 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 1.87 2.17 -0.17 0.44 1.01 -1.26 -1.25 121.20 124.01 3knz s ILE 281 Ca 0.69 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3knz s ILE 281 Cb 0.22 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3knz s ILE 281 CO -0.04 0.53 -0.17 -0.31 0.00 0.00 0.00 174.94 174.95 3knz s TYR 282 N 1.13 2.52 -0.09 3.97 1.51 0.66 -4.71 117.35 122.35 3knz s TYR 282 Ca 0.01 -1.49 0.01 0.00 -1.01 0.00 0.00 57.07 54.59 3knz s TYR 282 Cb -0.14 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3knz s TYR 282 CO -0.08 -0.75 -0.12 1.03 -1.11 0.00 0.00 175.55 174.52 3knz s ARG 283 N 1.37 2.97 -0.19 -0.62 0.52 -1.26 -3.98 118.95 117.76 3knz s ARG 283 Ca 0.04 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3knz s ARG 283 Cb -0.13 -2.55 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 3knz s ARG 283 CO -0.12 0.45 -0.10 0.42 0.02 0.00 0.00 175.30 175.97 3knz s ILE 284 N -0.26 2.96 0.00 1.52 1.01 -1.26 -1.13 121.20 124.04 3knz s ILE 284 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3knz s ILE 284 Cb -0.13 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3knz s ILE 284 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3knz n GLY 285 N 4.51 0.93 0.21 6.18 0.00 -0.91 0.19 105.19 116.30 3knz n GLY 285 Ca -0.19 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.68 132.00 129.35 3knz h PRO 286 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3knz h PRO 286 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3knz h PRO 286 CO 0.00 0.29 -0.14 1.04 -0.23 0.00 0.00 178.00 178.96 3knz n GLN 287 N -3.89 1.08 -2.53 0.86 6.02 -1.26 -4.49 117.38 113.17 3knz n GLN 287 Ca -0.02 -2.38 -0.36 0.00 -0.01 0.00 0.00 57.00 54.23 3knz n GLN 287 Cb 0.37 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.40 3.70 0.22 5.09 -7.23 -1.24 -4.93 120.40 113.61 3knz s VAL 288 Ca 0.28 1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 61.43 3knz s VAL 288 Cb 0.25 -3.64 -0.16 0.00 0.56 0.00 0.00 36.38 33.38 3knz s VAL 288 CO 0.01 -0.02 0.79 1.21 -0.31 0.00 0.00 175.10 176.79 3knz n GLU 289 N -0.18 0.63 -1.76 4.82 2.13 -1.26 -4.74 120.64 120.28 3knz n GLU 289 Ca 0.06 0.22 -0.34 0.00 0.66 0.00 0.00 57.16 57.75 3knz n GLU 289 Cb 0.50 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.75 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 1.68 7.43 -3.77 4.31 5.15 -1.26 -4.66 115.26 124.14 3knz n ASN 290 Ca 0.15 -3.12 -0.20 0.00 -0.60 0.00 0.00 54.58 50.81 3knz n ASN 290 Cb 0.27 -1.33 0.12 0.00 -0.53 0.00 0.00 39.78 38.31 3knz n ASN 290 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3knz n ASN 291 N 1.52 0.68 0.20 1.20 0.23 -1.26 -4.99 115.26 112.83 3knz n ASN 291 Ca 0.58 -1.68 0.07 0.00 -0.53 0.00 0.00 54.58 53.02 3knz n ASN 291 Cb 0.38 -0.60 0.38 0.00 -2.08 0.00 0.00 39.78 37.85 3knz n ASN 291 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3knz h GLY 292 N -0.79 0.00 0.71 4.83 0.00 -2.02 -3.31 103.07 102.50 3knz h GLY 292 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 3knz h GLY 292 CO 0.26 0.00 -0.67 1.41 0.00 0.00 0.00 176.54 177.54 3knz h LEU 293 N 0.00 0.48-10.26 3.11 3.38 -1.94 -3.45 115.31 106.63 3knz h LEU 293 Ca -0.00 -0.85 -0.50 0.00 0.09 0.00 0.00 57.88 56.61 3knz h LEU 293 Cb 0.84 -0.15 0.08 0.00 0.09 0.00 0.00 40.66 41.52 3knz h LEU 293 CO 0.04 1.28 0.37 0.20 0.09 0.00 0.00 178.44 180.42 3knz s ASN 294 N -6.82 5.59 -0.67 -0.43 0.01 -1.25 -4.59 114.94 106.78 3knz s ASN 294 Ca -0.14 1.72 -0.07 0.00 -0.71 0.00 0.00 52.86 53.66 3knz s ASN 294 Cb 0.02 -2.52 0.17 0.00 0.41 0.00 0.00 41.25 39.34 3knz s ASN 294 CO 0.82 -1.30 0.53 -0.22 -1.51 0.00 0.00 177.10 175.42 3knz s LEU 295 N -4.99 5.81 -0.31 0.60 2.96 -0.28 -4.78 118.68 117.69 3knz s LEU 295 Ca 0.61 -2.66 -0.23 0.00 -0.22 0.00 0.00 54.13 51.63 3knz s LEU 295 Cb -0.15 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 3knz s LEU 295 CO 0.45 -0.48 0.74 0.21 -1.32 0.00 0.00 176.35 175.95 3knz s ASN 296 N 1.46 6.61 -0.08 3.68 3.84 -1.26 -2.15 114.94 127.04 3knz s ASN 296 Ca 0.16 0.57 -0.10 0.00 0.21 0.00 0.00 52.86 53.70 3knz s ASN 296 Cb -0.18 -2.38 0.02 0.00 -0.55 0.00 0.00 41.25 38.16 3knz s ASN 296 CO -0.05 -0.59 0.26 0.12 -2.79 0.00 0.00 177.10 174.06 3knz s PHE 297 N 2.87 -0.25 -1.37 0.43 5.36 -1.01 -5.01 117.98 119.00 3knz s PHE 297 Ca 0.30 0.59 -0.16 0.00 -0.96 0.00 0.00 56.93 56.70 3knz s PHE 297 Cb -0.14 0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 3knz s PHE 297 CO 0.13 -0.19 1.96 -0.35 -1.46 0.00 0.00 175.22 175.31 3knz n PRO 298 N 2.60 3.02 -1.78 10.12 -0.04 -1.26 -3.16 135.00 144.49 3knz n PRO 298 Ca -0.15 -2.96 -0.38 0.00 -0.04 0.00 0.00 63.50 59.98 3knz n PRO 298 Cb 0.58 -3.40 0.05 0.00 -0.04 0.00 0.00 33.50 30.68 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 3.84 2.22 0.32 0.54 0.08 -1.26 -4.90 117.98 118.82 3knz s PHE 299 Ca 0.51 1.42 0.03 0.00 0.12 0.00 0.00 56.93 59.01 3knz s PHE 299 Cb 0.08 -3.75 0.55 0.00 -0.57 0.00 0.00 43.02 39.33 3knz s PHE 299 CO 0.01 -2.89 1.85 0.28 -0.10 0.00 0.00 175.22 174.37 3knz h VAL 300 N 1.12 1.21 -5.55 -0.44 2.07 -1.95 -3.47 116.25 109.23 3knz h VAL 300 Ca -0.51 -0.83 -0.41 0.00 0.82 0.00 0.00 66.70 65.77 3knz h VAL 300 Cb 1.31 0.92 0.08 0.00 -1.52 0.00 0.00 31.29 32.08 3knz h VAL 300 CO 0.56 0.29 -0.67 0.59 0.02 0.00 0.00 177.57 178.35 3knz n ASN 301 N -4.27 -5.96 -4.72 0.57 4.13 -1.26 -4.95 115.26 98.80 3knz n ASN 301 Ca 0.02 -0.51 -0.42 0.00 1.68 0.00 0.00 54.58 55.35 3knz n ASN 301 Cb 0.25 -4.74 -0.03 0.00 -1.54 0.00 0.00 39.78 33.72 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 -3.13 6.67 0.54 6.41 -1.08 -1.26 -4.83 116.67 120.00 3knz s ASP 302 Ca 0.52 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 55.35 3knz s ASP 302 Cb -0.24 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.06 3knz s ASP 302 CO 0.64 -0.75 1.97 1.05 0.52 0.00 0.00 175.17 178.60 3knz h GLU 303 N 6.61 0.00 0.00 4.34 9.09 -2.01 0.14 114.58 132.76 3knz h GLU 303 Ca -0.43 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.69 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 0.88 0.00 -2.11 -0.25 0.05 0.00 0.00 179.01 177.59 3knz n ASP 304 N -4.26 1.37 -0.94 3.06 8.00 -1.26 -4.67 116.55 117.85 3knz n ASP 304 Ca 0.11 -0.02 0.09 0.00 0.71 0.00 0.00 54.79 55.67 3knz n ASP 304 Cb 0.67 0.62 0.20 0.00 -0.02 0.00 0.00 41.12 42.58 3knz n ASP 304 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3knz n PHE 305 N -2.70 0.54 0.29 1.24 3.72 -0.98 -4.35 117.46 115.21 3knz n PHE 305 Ca -0.28 -0.36 0.17 0.00 -0.05 0.00 0.00 57.45 56.93 3knz n PHE 305 Cb 0.99 -0.01 0.85 0.00 -0.94 0.00 0.00 39.48 40.37 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 3.32 1.08 -0.16 4.37 0.00 -1.00 -2.46 119.26 124.41 3knz h ALA 306 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3knz h ALA 306 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3knz h ALA 306 CO 0.00 0.05 0.12 -0.39 0.00 0.00 0.00 179.25 179.03 3knz h VAL 307 N 0.00 0.83 0.00 0.00 -1.51 -1.83 0.21 116.25 113.96 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 0.32 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3knz h VAL 307 CO 0.01 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.84 3knz n PHE 308 N -4.36 0.58 -0.13 5.19 3.72 -0.92 -3.80 117.46 117.74 3knz n PHE 308 Ca 0.01 0.20 -0.27 0.00 -0.05 0.00 0.00 57.45 57.34 3knz n PHE 308 Cb 0.25 -0.82 -0.11 0.00 -0.94 0.00 0.00 39.48 37.86 3knz n PHE 308 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knz n GLU 309 N -2.00 0.60 0.24 -1.08 1.02 0.69 -4.60 120.64 115.50 3knz n GLU 309 Ca 0.04 0.31 0.16 0.00 -0.02 0.00 0.00 57.16 57.65 3knz n GLU 309 Cb 0.29 -1.55 0.70 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.85 0.00 0.00 -0.32 0.05 -1.51 -2.36 116.97 111.97 3knz h TYR 310 Ca -0.62 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.07 3knz h TYR 310 Cb 1.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.33 3knz h TYR 310 CO -0.04 0.00 -0.44 0.97 -1.05 0.00 0.00 178.16 177.61 3knz h ILE 311 N 0.00 0.81 -0.41 -2.88 6.09 -1.82 -3.37 117.51 115.94 3knz h ILE 311 Ca 0.00 -1.94 0.00 0.00 -1.37 0.00 0.00 64.86 61.55 3knz h ILE 311 Cb 0.38 2.25 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 3knz h ILE 311 CO 0.00 0.43 0.27 0.40 -3.07 0.00 0.00 178.15 176.18 3knz h ILE 312 N 0.00 1.11 -0.52 2.19 2.04 -1.67 -0.03 117.51 120.63 3knz h ILE 312 Ca -0.00 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3knz h ILE 312 Cb 1.21 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3knz h ILE 312 CO 0.06 0.11 0.18 -0.65 0.00 0.00 0.00 178.15 177.84 3knz h PRO 313 N 0.56 0.77 -0.22 2.37 0.11 -1.75 -2.28 132.00 131.56 3knz h PRO 313 Ca 0.15 -0.13 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3knz h PRO 313 Cb -0.06 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3knz h PRO 313 CO -0.03 0.65 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.86 3knz h LEU 314 N 0.75 0.63 -2.57 2.35 3.38 -1.66 -2.32 115.31 115.88 3knz h LEU 314 Ca 0.18 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3knz h LEU 314 Cb 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3knz h LEU 314 CO -0.01 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.53 3knz n GLN 315 N -3.99 0.49 0.00 1.13 6.02 -0.06 -3.34 117.38 117.63 3knz n GLN 315 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3knz n GLN 315 Cb 0.56 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 1.13 0.00 -0.27 1.08 4.77 -0.88 -3.14 117.00 119.70 3knz n LEU 317 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3knz n LEU 317 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3knz n LEU 317 CO 0.00 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.13 3knz h ALA 319 N 1.17 0.80 0.00 0.00 0.00 -1.88 -3.39 119.26 115.96 3knz h ALA 319 Ca 0.25 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3knz h ALA 319 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3knz h ALA 319 CO -0.03 0.80 -1.48 0.44 0.00 0.00 0.00 179.25 178.98 3knz n ILE 320 N -3.79 0.23 0.10 0.00 -6.64 -1.19 -4.75 119.36 103.31 3knz n ILE 320 Ca -0.02 -0.27 -0.12 0.00 -1.77 0.00 0.00 62.75 60.57 3knz n ILE 320 Cb 0.67 -0.13 -0.06 0.00 -1.44 0.00 0.00 39.64 38.68 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 -0.42 0.00 7.28 3.38 -1.42 -3.50 115.31 120.63 3knz h LEU 321 Ca -0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3knz h LEU 321 Cb 0.85 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3knz h LEU 321 CO 0.00 -0.22 0.00 -2.65 0.09 0.00 0.00 178.44 175.66