#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne h ASP 2 N 0.00 0.57 -3.44 0.00 3.32 -2.04 -3.41 116.42 111.42 2kne h ASP 2 Ca 0.00 -0.11 -0.65 0.00 0.02 0.00 0.00 57.03 56.29 2kne h ASP 2 Cb 0.00 -0.14 -0.25 0.00 0.22 0.00 0.00 39.33 39.15 2kne h ASP 2 CO 0.00 0.51 -0.69 -1.10 -1.72 0.00 0.00 179.24 176.25 2kne s GLN 3 N -5.78 3.50 0.00 3.56 -0.21 -1.26 -4.70 119.66 114.78 2kne s GLN 3 Ca -0.13 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2kne s GLN 3 Cb 0.11 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 31.06 2kne s GLN 3 CO 0.75 -0.10 0.00 -0.11 -2.12 0.00 0.00 175.29 173.71 2kne n LEU 4 N 4.55 0.00 -4.76 2.90 7.94 -1.26 -5.14 117.00 121.22 2kne n LEU 4 Ca -0.17 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.33 2kne n LEU 4 Cb 0.51 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.42 2kne n LEU 4 CO 0.30 0.00 0.80 -0.89 -1.11 0.00 0.00 177.39 176.49 2kne s THR 5 N 0.00 3.45 0.11 1.96 2.01 -1.26 -4.94 115.64 116.97 2kne s THR 5 Ca 0.00 1.39 -0.27 0.00 0.31 0.00 0.00 61.69 63.12 2kne s THR 5 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2kne s THR 5 CO 0.00 0.28 1.46 -0.08 -0.69 0.00 0.00 174.62 175.59 2kne h GLU 6 N 3.52 -0.29 -0.98 4.92 4.81 -2.01 0.42 114.58 124.98 2kne h GLU 6 Ca -0.47 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.12 2kne h GLU 6 Cb 1.21 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.56 2kne h GLU 6 CO 0.66 -0.19 0.63 -1.91 -0.73 0.00 0.00 179.01 177.46 2kne n GLU 7 N -4.92 -0.03 -0.10 1.92 4.07 -1.26 0.27 120.64 120.59 2kne n GLU 7 Ca -0.02 0.89 -0.11 0.00 -0.06 0.00 0.00 57.16 57.86 2kne n GLU 7 Cb 0.28 -1.76 0.03 0.00 -0.06 0.00 0.00 31.44 29.92 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2kne h GLN 8 N 0.00 0.85 -0.57 5.31 -0.00 -1.28 -0.88 115.11 118.54 2kne h GLN 8 Ca 0.63 -0.41 0.01 0.00 -0.00 0.00 0.00 58.65 58.87 2kne h GLN 8 Cb 2.01 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 29.46 2kne h GLN 8 CO -0.34 1.05 0.37 0.82 0.00 0.00 0.00 178.83 180.74 2kne h ILE 9 N 0.71 1.13 -0.19 2.39 2.04 0.37 -0.80 117.51 123.16 2kne h ILE 9 Ca 0.07 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2kne h ILE 9 Cb 0.89 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2kne h ILE 9 CO 0.08 0.14 -0.18 0.00 0.00 0.00 0.00 178.15 178.19 2kne h ALA 10 N 1.22 -0.06 -0.41 1.87 0.00 -1.00 0.34 119.26 121.22 2kne h ALA 10 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2kne h ALA 10 Cb -0.06 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kne h ALA 10 CO -0.06 -0.61 0.23 0.93 0.00 0.00 0.00 179.25 179.74 2kne h GLU 11 N -0.20 0.57 -0.72 0.00 5.08 -0.76 -2.88 114.58 115.67 2kne h GLU 11 Ca 0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2kne h GLU 11 Cb 0.37 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2kne h GLU 11 CO -0.31 0.46 0.31 0.74 -1.00 0.00 0.00 179.01 179.21 2kne h PHE 12 N 0.53 1.05 -0.10 4.33 -1.00 -0.83 -2.98 116.94 117.96 2kne h PHE 12 Ca 0.15 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.91 2kne h PHE 12 Cb 0.05 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.23 2kne h PHE 12 CO -0.02 0.79 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.99 2kne h LYS 13 N 1.03 -0.33 -0.95 1.51 3.64 -0.71 -0.75 116.57 120.02 2kne h LYS 13 Ca 0.24 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.88 2kne h LYS 13 Cb 0.16 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.94 2kne h LYS 13 CO -0.02 -0.22 0.50 0.93 -2.27 0.00 0.00 179.45 178.37 2kne h GLU 14 N -0.34 0.48 -0.95 1.90 3.07 -1.50 0.15 114.58 117.39 2kne h GLU 14 Ca 0.09 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.00 2kne h GLU 14 Cb 0.47 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 2kne h GLU 14 CO -0.29 0.32 0.61 0.00 -1.40 0.00 0.00 179.01 178.25 2kne h ALA 15 N 1.72 1.52 -0.83 3.43 0.00 -1.14 -2.58 119.26 121.37 2kne h ALA 15 Ca 0.60 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.55 2kne h ALA 15 Cb 1.13 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2kne h ALA 15 CO -0.50 0.31 0.52 0.74 0.00 0.00 0.00 179.25 180.32 2kne h PHE 16 N 1.03 0.96 0.00 0.00 -1.00 -0.44 -0.68 116.94 116.81 2kne h PHE 16 Ca 0.43 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.23 2kne h PHE 16 Cb 0.30 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.54 2kne h PHE 16 CO -0.00 0.51 0.00 0.43 -1.61 0.00 0.00 178.31 177.64 2kne n SER 17 N -4.62 0.59 -0.19 2.17 7.64 -0.97 -2.27 113.62 115.97 2kne n SER 17 Ca 0.11 0.71 -0.08 0.00 1.01 0.00 0.00 58.87 60.62 2kne n SER 17 Cb 0.15 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.55 2kne n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kne h LEU 18 N 0.00 0.76 0.00 -3.43 6.46 -1.14 -3.28 115.31 114.67 2kne h LEU 18 Ca 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2kne h LEU 18 Cb 0.18 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2kne h LEU 18 CO 0.00 0.74 -1.04 2.22 -0.62 0.00 0.00 178.44 179.75 2kne n PHE 19 N -4.49 0.00 -2.27 1.25 1.16 -1.14 -4.86 117.46 107.11 2kne n PHE 19 Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.25 2kne n PHE 19 Cb 0.18 -0.12 -0.04 0.00 -1.61 0.00 0.00 39.48 37.89 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2kne s ASP 20 N -2.86 5.72 0.02 5.98 1.01 -0.96 -4.83 116.67 120.75 2kne s ASP 20 Ca 0.02 -0.64 -0.23 0.00 0.71 0.00 0.00 52.55 52.41 2kne s ASP 20 Cb 0.11 -2.56 -0.16 0.00 1.01 0.00 0.00 42.92 41.32 2kne s ASP 20 CO 0.62 -2.17 1.36 0.11 0.21 0.00 0.00 175.17 175.29 2kne h LYS 21 N 11.43 0.20 -0.60 8.23 6.56 -1.89 -3.28 116.57 137.23 2kne h LYS 21 Ca -0.01 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2kne h LYS 21 Cb 1.05 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2kne h LYS 21 CO 1.28 0.58 0.00 -0.40 -2.06 0.00 0.00 179.45 178.85 2kne n ASP 22 N -4.72 4.34 -4.02 0.86 5.75 -1.26 -4.97 116.55 112.53 2kne n ASP 22 Ca -0.07 -2.36 -0.28 0.00 -0.01 0.00 0.00 54.79 52.08 2kne n ASP 22 Cb 0.28 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.77 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 23 N 1.01 -0.15 0.14 6.12 0.00 -1.24 -4.77 105.19 106.32 2kne n GLY 23 Ca 0.23 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.53 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -2.27 0.57 0.00 1.61 5.75 -1.26 -4.90 116.55 116.05 2kne n ASP 24 Ca -0.20 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 2kne n ASP 24 Cb 0.54 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 25 N 1.27 0.95 3.06 6.12 0.00 -1.26 -5.03 105.19 110.30 2kne n GLY 25 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.93 0.42 -0.21 2.61 -4.23 -1.26 -4.82 115.64 105.22 2kne s THR 26 Ca 0.00 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 2kne s THR 26 Cb 0.00 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2kne s THR 26 CO 0.00 -0.55 0.52 -0.63 -0.54 0.00 0.00 174.62 173.42 2kne s ILE 27 N -1.99 5.10 0.36 2.99 1.09 -1.00 -4.95 121.20 122.80 2kne s ILE 27 Ca -0.06 0.94 0.08 0.00 -1.10 0.00 0.00 60.65 60.51 2kne s ILE 27 Cb -0.06 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2kne s ILE 27 CO -0.02 0.16 0.10 0.42 -0.10 0.00 0.00 174.94 175.51 2kne s THR 28 N 1.73 2.71 0.33 2.92 -4.23 -1.26 -2.57 115.64 115.26 2kne s THR 28 Ca 0.24 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2kne s THR 28 Cb -0.15 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.04 2kne s THR 28 CO 0.09 -0.14 1.97 0.71 -0.54 0.00 0.00 174.62 176.71 2kne h THR 29 N 1.61 1.13 0.90 3.99 1.35 -1.92 -1.67 112.91 118.29 2kne h THR 29 Ca -0.43 -0.33 -0.04 0.00 -0.55 0.00 0.00 66.41 65.06 2kne h THR 29 Cb 1.25 0.10 0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2kne h THR 29 CO 0.66 0.17 -0.43 0.11 -0.25 0.00 0.00 175.52 175.78 2kne h LYS 30 N 0.95 -1.16 -0.04 4.72 1.57 -1.98 -2.36 116.57 118.27 2kne h LYS 30 Ca 0.30 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 2kne h LYS 30 Cb 0.02 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2kne h LYS 30 CO -0.08 -0.78 -0.03 1.05 -0.57 0.00 0.00 179.45 179.04 2kne h GLU 31 N -1.26 0.06 0.36 3.15 4.11 -1.89 -2.26 114.58 116.85 2kne h GLU 31 Ca -0.12 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kne h GLU 31 Cb 0.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kne h GLU 31 CO 0.20 0.09 -0.17 1.25 0.07 0.00 0.00 179.01 180.45 2kne h LEU 32 N 0.06 -0.41 -1.17 3.06 5.85 -1.16 -3.00 115.31 118.53 2kne h LEU 32 Ca 0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kne h LEU 32 Cb 0.09 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2kne h LEU 32 CO 0.00 -0.26 0.48 1.23 -0.34 0.00 0.00 178.44 179.55 2kne h GLY 33 N -0.52 1.12 0.87 3.75 0.00 -1.05 -2.81 103.07 104.43 2kne h GLY 33 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kne h GLY 33 CO 0.08 0.43 -0.11 -0.84 0.00 0.00 0.00 176.54 176.10 2kne h THR 34 N 1.07 0.75 -0.53 4.70 2.02 -1.32 -1.30 112.91 118.30 2kne h THR 34 Ca 0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.49 2kne h THR 34 Cb -0.07 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2kne h THR 34 CO -0.06 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.71 2kne h VAL 35 N -0.26 1.02 -0.95 3.16 2.07 -1.37 -1.81 116.25 118.13 2kne h VAL 35 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2kne h VAL 35 Cb 0.24 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2kne h VAL 35 CO -0.02 0.11 0.62 -0.03 0.02 0.00 0.00 177.57 178.27 2kne h MET 36 N 0.59 1.20 -1.00 1.57 -1.53 -1.30 -1.35 114.93 113.11 2kne h MET 36 Ca 0.22 -0.07 0.17 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.06 -0.27 -0.10 0.00 -0.55 0.00 0.00 31.60 30.74 2kne h MET 36 CO -0.12 0.79 0.62 -0.09 0.14 0.00 0.00 176.91 178.25 2kne h ARG 37 N 1.23 0.81 0.00 0.39 2.43 -0.37 0.84 114.38 119.72 2kne h ARG 37 Ca 0.36 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2kne h ARG 37 Cb -0.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2kne h ARG 37 CO -0.10 0.53 -0.01 0.66 -1.51 0.00 0.00 179.97 179.55 2kne h SER 38 N 0.83 0.00 0.02 -3.80 4.64 -0.93 0.44 113.55 114.76 2kne h SER 38 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2kne h SER 38 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2kne h SER 38 CO -0.34 0.01 0.00 -0.11 -0.87 0.00 0.00 176.83 175.52 2kne n LEU 39 N -3.17 0.00 0.00 5.97 7.94 0.29 -4.83 117.00 123.20 2kne n LEU 39 Ca -0.02 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2kne n LEU 39 Cb 0.13 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2kne n LEU 39 CO 0.23 -0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 2kne n GLY 40 N 0.40 0.61 3.45 -3.96 0.00 0.14 -5.07 105.19 100.76 2kne n GLY 40 Ca 0.16 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -2.56 1.60 -0.61 1.61 -0.21 -1.21 -5.09 119.66 113.18 2kne s GLN 41 Ca 0.00 -1.82 0.05 0.00 0.02 0.00 0.00 55.36 53.62 2kne s GLN 41 Cb 0.00 -1.22 0.19 0.00 1.00 0.00 0.00 33.01 32.98 2kne s GLN 41 CO 0.00 0.04 0.52 0.27 -2.12 0.00 0.00 175.29 174.00 2kne n ASN 42 N -0.62 2.26 -4.77 5.90 6.94 -1.26 -4.34 115.26 119.37 2kne n ASN 42 Ca -0.05 -3.06 -0.36 0.00 -0.02 0.00 0.00 54.58 51.09 2kne n ASN 42 Cb 0.64 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kne s PRO 43 N -1.37 3.49 0.68 -0.53 0.04 -1.26 -5.02 135.00 131.03 2kne s PRO 43 Ca 0.31 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2kne s PRO 43 Cb 0.03 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 2kne s PRO 43 CO -0.14 -0.77 1.07 0.95 0.04 0.00 0.00 177.00 178.15 2kne s THR 44 N -1.59 3.90 0.22 1.26 -4.23 -1.26 -4.95 115.64 108.99 2kne s THR 44 Ca 0.69 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 61.73 2kne s THR 44 Cb -0.28 -3.58 0.17 0.00 1.34 0.00 0.00 72.50 70.14 2kne s THR 44 CO 0.33 -0.81 1.83 1.05 -0.54 0.00 0.00 174.62 176.48 2kne h GLU 45 N -0.57 0.78 -0.15 3.99 9.09 -2.03 -1.01 114.58 124.69 2kne h GLU 45 Ca -0.45 -0.05 0.04 0.00 0.05 0.00 0.00 59.36 58.96 2kne h GLU 45 Cb 1.23 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 2kne h GLU 45 CO 0.63 0.52 0.17 0.00 0.05 0.00 0.00 179.01 180.38 2kne h ALA 46 N 1.36 1.74 -0.63 1.06 0.00 -2.01 -1.16 119.26 119.62 2kne h ALA 46 Ca 0.32 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2kne h ALA 46 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kne h ALA 46 CO -0.17 -0.25 0.09 1.49 0.00 0.00 0.00 179.25 180.42 2kne h GLU 47 N 0.00 1.04 -0.94 0.00 4.57 -1.54 -1.82 114.58 115.89 2kne h GLU 47 Ca 0.07 -0.28 0.12 0.00 -1.18 0.00 0.00 59.36 58.08 2kne h GLU 47 Cb 0.42 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 2kne h GLU 47 CO -0.00 0.97 0.60 -0.07 -1.18 0.00 0.00 179.01 179.33 2kne h LEU 48 N 0.95 0.82 0.19 1.64 4.07 -1.27 -1.96 115.31 119.77 2kne h LEU 48 Ca 0.19 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 2kne h LEU 48 Cb 0.44 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2kne h LEU 48 CO 0.01 0.45 -0.09 -0.61 -1.08 0.00 0.00 178.44 177.12 2kne h GLN 49 N 0.89 -0.25 -0.31 1.13 4.15 -1.49 -2.82 115.11 116.41 2kne h GLN 49 Ca 0.45 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.95 2kne h GLN 49 Cb 0.51 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 2kne h GLN 49 CO -0.22 0.13 -0.04 0.22 -1.93 0.00 0.00 178.83 176.99 2kne h ASP 50 N -0.91 -0.21 -0.06 -0.69 1.82 -1.17 -1.43 116.42 113.77 2kne h ASP 50 Ca -0.03 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2kne h ASP 50 Cb 0.50 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 2kne h ASP 50 CO 0.04 -0.07 -0.01 0.24 -1.61 0.00 0.00 179.24 177.84 2kne h MET 51 N 0.04 0.11 -0.52 0.28 2.86 -1.50 -3.04 114.93 113.16 2kne h MET 51 Ca 0.15 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2kne h MET 51 Cb 0.22 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2kne h MET 51 CO -0.29 0.42 0.31 0.82 1.06 0.00 0.00 176.91 179.23 2kne h ILE 52 N -0.21 1.04 -0.71 -1.22 1.08 -1.42 -2.21 117.51 113.86 2kne h ILE 52 Ca 0.02 -0.21 0.09 0.00 -0.39 0.00 0.00 64.86 64.37 2kne h ILE 52 Cb 0.38 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 2kne h ILE 52 CO 0.00 0.11 0.47 0.78 -0.69 0.00 0.00 178.15 178.82 2kne h ASN 53 N 0.61 0.55 -0.56 1.72 2.35 -1.27 0.25 115.58 119.23 2kne h ASN 53 Ca 0.21 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 2kne h ASN 53 Cb 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2kne h ASN 53 CO -0.10 0.33 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.64 2kne h GLU 54 N 0.61 1.01 0.00 0.81 4.39 -1.28 -3.12 114.58 117.00 2kne h GLU 54 Ca 0.33 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2kne h GLU 54 Cb 0.46 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kne h GLU 54 CO -0.11 1.02 -0.70 0.28 -1.16 0.00 0.00 179.01 178.34 2kne h VAL 55 N 0.89 0.22 -0.98 3.13 2.07 -1.34 -3.43 116.25 116.80 2kne h VAL 55 Ca 0.15 -1.35 -0.58 0.00 0.82 0.00 0.00 66.70 65.73 2kne h VAL 55 Cb 0.59 1.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 2kne h VAL 55 CO 0.04 0.12 1.62 -0.62 0.02 0.00 0.00 177.57 178.75 2kne s ASP 56 N -5.85 6.42 0.28 0.57 2.15 0.03 -4.84 116.67 115.43 2kne s ASP 56 Ca 0.02 -1.68 -0.02 0.00 0.43 0.00 0.00 52.55 51.30 2kne s ASP 56 Cb 0.08 -2.57 0.38 0.00 -0.30 0.00 0.00 42.92 40.50 2kne s ASP 56 CO 0.75 -1.59 1.86 0.00 -0.17 0.00 0.00 175.17 176.02 2kne h ALA 57 N 9.29 1.25 -0.01 3.66 0.00 -1.85 -2.83 119.26 128.77 2kne h ALA 57 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kne h ALA 57 Cb 0.97 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kne h ALA 57 CO 1.41 0.56 -0.09 -0.40 0.00 0.00 0.00 179.25 180.73 2kne n ASP 58 N -4.31 0.74 -1.65 0.00 5.75 -1.26 -4.93 116.55 110.88 2kne n ASP 58 Ca 0.06 -0.91 -0.19 0.00 -0.01 0.00 0.00 54.79 53.74 2kne n ASP 58 Cb 0.16 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.22 1.11 0.42 6.12 0.00 -1.07 -4.86 105.19 108.14 2kne n GLY 59 Ca 0.17 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2kne n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 60 N -1.18 1.29 0.00 1.61 6.94 -1.26 -4.91 115.26 117.74 2kne n ASN 60 Ca -0.20 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 2kne n ASN 60 Cb 0.63 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2kne n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 61 N 1.11 0.84 3.32 4.83 0.00 -1.26 -5.01 105.19 109.01 2kne n GLY 61 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.27 0.05 -0.18 2.61 -4.23 -1.26 -4.70 115.64 104.66 2kne s THR 62 Ca 0.00 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2kne s THR 62 Cb 0.00 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2kne s THR 62 CO 0.00 -0.24 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.17 2kne s ILE 63 N -4.01 3.77 0.41 2.99 -1.09 -1.06 -4.81 121.20 117.39 2kne s ILE 63 Ca 0.22 -0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2kne s ILE 63 Cb 0.04 -2.67 0.06 0.00 -1.58 0.00 0.00 42.46 38.31 2kne s ILE 63 CO 0.03 0.46 0.50 0.47 -1.23 0.00 0.00 174.94 175.17 2kne n ASP 64 N 3.98 1.73 -0.08 3.58 8.00 -1.26 -2.37 116.55 130.13 2kne n ASP 64 Ca -0.17 -2.18 -0.08 0.00 0.71 0.00 0.00 54.79 53.06 2kne n ASP 64 Cb 0.52 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2kne h PHE 65 N 0.23 0.30 -0.07 1.24 3.04 -1.99 -2.06 116.94 117.62 2kne h PHE 65 Ca -0.21 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.78 2kne h PHE 65 Cb 0.90 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 2kne h PHE 65 CO 0.00 0.17 -0.11 -1.35 -2.02 0.00 0.00 178.31 175.00 2kne h PRO 66 N 0.34 -0.15 0.00 6.41 0.11 -2.01 0.67 132.00 137.37 2kne h PRO 66 Ca 0.12 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2kne h PRO 66 Cb 0.02 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2kne h PRO 66 CO -0.07 -0.10 0.00 0.93 -0.21 0.00 0.00 178.00 178.55 2kne h GLU 67 N -0.15 0.00 0.10 1.05 5.08 -1.92 -2.57 114.58 116.16 2kne h GLU 67 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 67 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kne h GLU 67 CO -0.17 0.00 -0.05 0.35 -1.00 0.00 0.00 179.01 178.15 2kne h PHE 68 N 0.00 -0.12 -0.43 4.33 3.57 -0.16 -3.33 116.94 120.79 2kne h PHE 68 Ca 0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2kne h PHE 68 Cb 0.03 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2kne h PHE 68 CO 0.00 0.20 0.24 -0.07 -2.23 0.00 0.00 178.31 176.46 2kne h LEU 69 N -0.99 0.38 -0.77 0.59 3.38 -0.94 -2.13 115.31 114.82 2kne h LEU 69 Ca -0.01 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2kne h LEU 69 Cb 0.38 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.93 2kne h LEU 69 CO 0.02 0.27 0.03 0.71 0.09 0.00 0.00 178.44 179.56 2kne h THR 70 N 0.49 0.33 -0.26 0.22 1.35 -1.66 -0.56 112.91 112.81 2kne h THR 70 Ca 0.18 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.95 2kne h THR 70 Cb 0.04 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.66 2kne h THR 70 CO -0.10 0.02 -0.03 0.24 -0.25 0.00 0.00 175.52 175.40 2kne h MET 71 N 0.11 0.48 -0.98 4.72 2.86 -1.54 -3.06 114.93 117.52 2kne h MET 71 Ca 0.43 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2kne h MET 71 Cb 0.77 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 2kne h MET 71 CO -0.67 0.68 0.65 0.52 1.06 0.00 0.00 176.91 179.15 2kne h MET 72 N 0.25 1.28 -0.29 1.72 2.07 -0.54 0.42 114.93 119.83 2kne h MET 72 Ca 0.07 -0.08 -0.08 0.00 -2.07 0.00 0.00 59.70 57.55 2kne h MET 72 Cb 0.48 -0.29 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 2kne h MET 72 CO 0.02 0.85 -0.14 0.00 1.07 0.00 0.00 176.91 178.71 2kne h ALA 73 N 1.39 1.21 0.00 6.32 0.00 -1.17 -2.84 119.26 124.18 2kne h ALA 73 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kne h ALA 73 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2kne h ALA 73 CO -0.09 0.51 -0.79 0.54 0.00 0.00 0.00 179.25 179.43 2kne n ARG 74 N -4.19 0.04 -1.80 0.00 1.74 -0.91 -4.60 116.66 106.93 2kne n ARG 74 Ca 0.00 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 2kne n ARG 74 Cb 0.34 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kne n LYS 75 N -1.56 3.20 -0.55 5.56 3.00 0.14 -4.50 118.16 123.43 2kne n LYS 75 Ca 0.04 -2.77 0.08 0.00 -0.00 0.00 0.00 58.31 55.67 2kne n LYS 75 Cb 0.35 -3.12 0.30 0.00 0.00 0.00 0.00 35.03 32.55 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kne n MET 76 N 5.12 3.51 -1.61 1.64 2.81 -1.26 -4.95 117.12 122.38 2kne n MET 76 Ca 0.54 -2.87 -0.50 0.00 -1.81 0.00 0.00 57.70 53.06 2kne n MET 76 Cb 0.36 -1.91 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.02 1.42 -3.14 0.03 3.00 -1.26 -4.91 118.16 113.32 2kne n LYS 77 Ca 0.23 0.51 -0.44 0.00 -0.00 0.00 0.00 58.31 58.61 2kne n LYS 77 Cb 0.93 -2.18 -0.06 0.00 0.00 0.00 0.00 35.03 33.72 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kne s ASP 78 N 0.55 6.24 -0.22 3.14 -1.08 -1.26 -5.03 116.67 119.00 2kne s ASP 78 Ca 0.82 -0.82 -0.20 0.00 -0.52 0.00 0.00 52.55 51.83 2kne s ASP 78 Cb -0.87 -2.30 -0.02 0.00 -1.46 0.00 0.00 42.92 38.26 2kne s ASP 78 CO 0.45 -0.90 0.59 -0.89 0.52 0.00 0.00 175.17 174.95 2kne s THR 79 N 2.72 5.03 -0.29 1.71 2.01 -1.26 -5.01 115.64 120.55 2kne s THR 79 Ca 0.17 1.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 2kne s THR 79 Cb -0.18 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2kne s THR 79 CO 0.13 0.10 1.67 -1.81 -0.69 0.00 0.00 174.62 174.01 2kne s ASP 80 N 1.32 6.17 0.57 3.53 1.01 -1.26 -4.80 116.67 123.21 2kne s ASP 80 Ca 0.26 1.38 0.07 0.00 0.71 0.00 0.00 52.55 54.97 2kne s ASP 80 Cb -0.16 -2.53 0.23 0.00 1.01 0.00 0.00 42.92 41.48 2kne s ASP 80 CO 0.09 -1.47 0.95 -1.20 0.21 0.00 0.00 175.17 173.76 2kne n SER 81 N 9.26 0.00 -0.06 0.27 7.64 -1.26 0.11 113.62 129.58 2kne n SER 81 Ca 0.20 0.51 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 2kne n SER 81 Cb 0.46 -0.07 0.08 0.00 -1.01 0.00 0.00 64.21 63.67 2kne n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kne h GLU 82 N 0.00 0.71 -1.10 1.43 3.07 -2.01 -3.10 114.58 113.59 2kne h GLU 82 Ca 0.13 -0.33 0.30 0.00 -0.50 0.00 0.00 59.36 58.96 2kne h GLU 82 Cb 2.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 29.81 2kne h GLU 82 CO -0.00 0.94 0.72 1.49 -1.40 0.00 0.00 179.01 180.76 2kne h GLU 83 N 0.60 0.29 0.00 2.33 4.81 0.41 0.35 114.58 123.37 2kne h GLU 83 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 83 Cb 0.85 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2kne h GLU 83 CO 0.07 0.19 -0.78 1.49 -0.73 0.00 0.00 179.01 179.25 2kne h GLU 84 N 0.30 0.00 0.00 1.92 4.57 -1.71 -3.31 114.58 116.35 2kne h GLU 84 Ca 0.63 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2kne h GLU 84 Cb 1.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 2kne h GLU 84 CO -0.29 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.65 2kne n ILE 85 N -2.41 0.00 -0.26 2.32 2.08 0.12 -1.14 119.36 120.07 2kne n ILE 85 Ca 0.02 1.25 -0.04 0.00 0.56 0.00 0.00 62.75 64.54 2kne n ILE 85 Cb 0.49 -2.24 0.12 0.00 -0.75 0.00 0.00 39.64 37.26 2kne n ILE 85 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2kne h ARG 86 N 0.00 1.12 -0.76 0.38 3.08 -1.77 -2.93 114.38 113.49 2kne h ARG 86 Ca 0.00 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2kne h ARG 86 Cb 0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2kne h ARG 86 CO 0.00 0.88 0.34 0.93 -1.07 0.00 0.00 179.97 181.06 2kne h GLU 87 N 1.10 1.12 0.00 0.04 4.39 -1.66 -1.72 114.58 117.85 2kne h GLU 87 Ca 0.26 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2kne h GLU 87 Cb 0.15 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2kne h GLU 87 CO -0.03 0.88 0.00 0.00 -1.16 0.00 0.00 179.01 178.71 2kne h ALA 88 N 1.18 1.00 0.03 3.43 0.00 -0.94 -2.59 119.26 121.37 2kne h ALA 88 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kne h ALA 88 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kne h ALA 88 CO -0.03 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 179.56 2kne h PHE 89 N 0.00 -0.03 -0.81 0.00 3.57 -1.30 -2.88 116.94 115.48 2kne h PHE 89 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2kne h PHE 89 Cb 0.08 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2kne h PHE 89 CO 0.00 0.57 0.47 -0.09 -2.23 0.00 0.00 178.31 177.03 2kne h ARG 90 N -0.68 0.78 -0.42 1.11 2.43 -1.46 0.33 114.38 116.46 2kne h ARG 90 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2kne h ARG 90 Cb 0.62 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2kne h ARG 90 CO 0.01 0.51 0.07 0.28 -1.51 0.00 0.00 179.97 179.33 2kne h VAL 91 N 0.80 1.24 -0.43 0.20 2.07 -1.63 -3.05 116.25 115.45 2kne h VAL 91 Ca 0.39 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 2kne h VAL 91 Cb 0.33 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kne h VAL 91 CO -0.23 0.31 -0.24 -0.26 0.02 0.00 0.00 177.57 177.16 2kne h PHE 92 N 0.56 1.04 -2.21 1.57 -1.00 -1.11 -3.31 116.94 112.48 2kne h PHE 92 Ca 0.13 -0.26 -0.72 0.00 2.81 0.00 0.00 57.97 59.94 2kne h PHE 92 Cb 0.38 -0.24 -0.17 0.00 3.61 0.00 0.00 35.95 39.53 2kne h PHE 92 CO 0.03 1.05 1.18 0.34 -1.61 0.00 0.00 178.31 179.30 2kne s ASP 93 N -6.75 6.89 0.14 2.17 -1.08 0.11 -4.68 116.67 113.47 2kne s ASP 93 Ca -0.10 -2.60 -0.17 0.00 -0.52 0.00 0.00 52.55 49.16 2kne s ASP 93 Cb 0.12 -2.41 -0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2kne s ASP 93 CO 0.86 -0.89 1.78 0.11 0.52 0.00 0.00 175.17 177.55 2kne h LYS 94 N 7.83 0.50 -0.21 4.34 1.57 -1.68 -2.75 116.57 126.16 2kne h LYS 94 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2kne h LYS 94 Cb 0.93 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2kne h LYS 94 CO 1.20 0.36 0.00 -0.40 -0.57 0.00 0.00 179.45 180.05 2kne n ASP 95 N -4.80 2.09 -3.76 0.86 5.75 -1.26 -4.95 116.55 110.48 2kne n ASP 95 Ca -0.00 -1.78 -0.22 0.00 -0.01 0.00 0.00 54.79 52.77 2kne n ASP 95 Cb 0.05 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.02 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 96 N 1.22 -0.30 0.73 6.12 0.00 -1.04 -4.86 105.19 107.07 2kne n GLY 96 Ca 0.17 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.43 2kne n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 97 N -3.03 2.19 0.00 1.61 6.94 -1.26 -4.90 115.26 116.80 2kne n ASN 97 Ca -0.30 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 2kne n ASN 97 Cb 0.68 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 98 N 1.22 0.88 3.02 4.83 0.00 -1.26 -5.02 105.19 108.87 2kne n GLY 98 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.48 0.38 -0.34 1.61 2.02 -1.26 -4.58 117.35 111.70 2kne s TYR 99 Ca 0.00 -0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 55.85 2kne s TYR 99 Cb 0.00 -0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.28 2kne s TYR 99 CO 0.00 -0.23 0.43 0.42 -1.57 0.00 0.00 175.55 174.60 2kne s ILE 100 N -2.20 5.10 0.31 2.71 1.01 -0.65 -4.71 121.20 122.77 2kne s ILE 100 Ca -0.08 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2kne s ILE 100 Cb -0.05 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 2kne s ILE 100 CO -0.03 -0.14 0.62 -0.44 0.00 0.00 0.00 174.94 174.95 2kne s SER 101 N 1.74 6.53 0.15 3.58 0.01 -1.26 -2.34 113.70 122.11 2kne s SER 101 Ca 0.15 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.16 2kne s SER 101 Cb -0.16 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 63.88 2kne s SER 101 CO 0.12 -0.22 1.75 0.00 0.41 0.00 0.00 173.24 175.30 2kne h ALA 102 N 1.81 0.38 -1.00 1.44 0.00 -1.98 -1.67 119.26 118.25 2kne h ALA 102 Ca -0.47 0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.64 2kne h ALA 102 Cb 1.18 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 2kne h ALA 102 CO 0.66 -0.28 0.61 0.00 0.00 0.00 0.00 179.25 180.24 2kne h ALA 103 N 1.20 1.61 -0.53 0.00 0.00 -1.99 0.51 119.26 120.07 2kne h ALA 103 Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 103 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kne h ALA 103 CO -0.14 0.01 -0.00 0.93 0.00 0.00 0.00 179.25 180.04 2kne h GLU 104 N 0.81 0.93 -0.29 0.00 5.08 -1.66 -3.16 114.58 116.29 2kne h GLU 104 Ca 0.56 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 104 Cb 0.79 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2kne h GLU 104 CO -0.36 0.95 0.11 1.25 -1.00 0.00 0.00 179.01 179.96 2kne h LEU 105 N 0.80 0.41 -1.31 1.33 5.85 -0.14 -2.97 115.31 119.28 2kne h LEU 105 Ca 0.15 -0.18 0.37 0.00 0.84 0.00 0.00 57.88 59.06 2kne h LEU 105 Cb 0.53 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.33 2kne h LEU 105 CO 0.03 0.48 0.74 0.03 -0.34 0.00 0.00 178.44 179.38 2kne h ARG 106 N 0.31 0.19 0.00 1.25 3.08 -1.13 1.26 114.38 119.35 2kne h ARG 106 Ca 0.10 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2kne h ARG 106 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kne h ARG 106 CO -0.01 0.13 -0.35 1.25 -1.07 0.00 0.00 179.97 179.92 2kne h HIS 107 N 0.20 0.00 -0.72 3.04 2.76 -1.60 -3.11 115.15 115.72 2kne h HIS 107 Ca 0.75 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.95 2kne h HIS 107 Cb 2.14 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 31.05 2kne h HIS 107 CO -0.01 0.35 0.45 0.28 -1.30 0.00 0.00 177.93 177.71 2kne h VAL 108 N 0.00 1.11 -0.42 5.26 2.07 0.15 -2.91 116.25 121.50 2kne h VAL 108 Ca -0.00 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2kne h VAL 108 Cb 0.74 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2kne h VAL 108 CO 0.05 0.16 -0.08 0.24 0.02 0.00 0.00 177.57 177.96 2kne h MET 109 N 0.89 0.02 -0.92 1.57 2.07 -1.55 -1.52 114.93 115.48 2kne h MET 109 Ca 0.29 -0.00 0.17 0.00 -2.07 0.00 0.00 59.70 58.09 2kne h MET 109 Cb 0.01 -0.01 -0.08 0.00 -1.87 0.00 0.00 31.60 29.65 2kne h MET 109 CO -0.10 0.02 0.59 1.79 1.07 0.00 0.00 176.91 180.28 2kne h THR 110 N 0.03 0.76 -0.59 2.22 1.35 -1.66 0.13 112.91 115.15 2kne h THR 110 Ca 0.21 -0.21 -0.10 0.00 -0.55 0.00 0.00 66.41 65.75 2kne h THR 110 Cb 0.31 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.79 2kne h THR 110 CO -0.42 0.11 -0.02 0.78 -0.25 0.00 0.00 175.52 175.73 2kne h ASN 111 N 0.63 1.02 1.19 5.36 2.35 -1.29 -2.94 115.58 121.89 2kne h ASN 111 Ca 0.49 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2kne h ASN 111 Cb 0.90 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2kne h ASN 111 CO -0.24 1.09 -0.20 0.18 -1.65 0.00 0.00 177.43 176.61 2kne n LEU 112 N -4.17 0.65 -1.33 1.61 4.77 0.21 -4.95 117.00 113.77 2kne n LEU 112 Ca 0.03 0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 56.37 2kne n LEU 112 Cb 0.36 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2kne n LEU 112 CO 0.44 -0.10 0.04 0.61 -1.33 0.00 0.00 177.39 177.05 2kne n GLY 113 N 1.36 0.38 0.16 -0.72 0.00 0.20 -4.95 105.19 101.61 2kne n GLY 113 Ca 0.05 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2kne n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kne h GLU 114 N -0.67 0.00 -6.91 1.61 4.57 -1.82 -3.48 114.58 107.88 2kne h GLU 114 Ca -0.18 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.42 2kne h GLU 114 Cb 1.12 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.56 2kne h GLU 114 CO 0.18 0.04 -0.95 1.63 -1.18 0.00 0.00 179.01 178.74 2kne n LYS 115 N -2.90 -1.55 -2.16 1.92 5.02 -1.26 -4.88 118.16 112.34 2kne n LYS 115 Ca 0.01 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 2kne n LYS 115 Cb 0.57 -3.79 0.00 0.00 -0.02 0.00 0.00 35.03 31.78 2kne n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2kne s LEU 116 N -7.27 3.58 0.78 -0.35 2.34 -1.26 -5.07 118.68 111.43 2kne s LEU 116 Ca 0.03 1.85 -0.08 0.00 0.06 0.00 0.00 54.13 56.00 2kne s LEU 116 Cb -0.02 -4.54 0.12 0.00 -0.56 0.00 0.00 46.19 41.19 2kne s LEU 116 CO 0.97 -1.08 1.09 0.42 -1.06 0.00 0.00 176.35 176.69 2kne s THR 117 N -2.32 2.17 0.22 5.48 -4.23 -1.26 -4.93 115.64 110.75 2kne s THR 117 Ca 0.65 -0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 2kne s THR 117 Cb -0.16 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 70.95 2kne s THR 117 CO 0.33 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.64 2kne h ASP 118 N -0.86 0.52 -0.86 3.99 3.32 -2.01 -2.08 116.42 118.45 2kne h ASP 118 Ca -0.42 0.04 0.09 0.00 0.02 0.00 0.00 57.03 56.76 2kne h ASP 118 Cb 1.28 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 2kne h ASP 118 CO 0.49 0.32 0.51 -0.33 -1.72 0.00 0.00 179.24 178.52 2kne h GLU 119 N 0.66 0.84 0.00 3.56 4.39 -2.00 -1.44 114.58 120.59 2kne h GLU 119 Ca 0.32 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 2kne h GLU 119 Cb 0.26 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2kne h GLU 119 CO -0.22 0.56 -0.45 0.93 -1.16 0.00 0.00 179.01 178.67 2kne h GLU 120 N 0.87 0.00 -0.51 2.33 5.08 -1.75 -0.73 114.58 119.87 2kne h GLU 120 Ca 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2kne h GLU 120 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kne h GLU 120 CO -0.23 0.45 0.23 0.28 -1.00 0.00 0.00 179.01 178.74 2kne h VAL 121 N 0.00 1.20 -0.13 3.13 2.07 -0.95 -2.13 116.25 119.45 2kne h VAL 121 Ca -0.00 -0.60 -0.19 0.00 0.82 0.00 0.00 66.70 66.73 2kne h VAL 121 Cb 0.80 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2kne h VAL 121 CO 0.06 0.23 -0.69 -0.78 0.02 0.00 0.00 177.57 176.41 2kne h ASP 122 N 0.67 0.62 0.44 0.57 1.82 -1.33 -3.14 116.42 116.08 2kne h ASP 122 Ca 0.17 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 56.41 2kne h ASP 122 Cb 0.15 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 2kne h ASP 122 CO -0.02 1.13 -0.25 -0.08 -1.61 0.00 0.00 179.24 178.42 2kne h GLU 123 N 0.38 -0.62 -0.73 0.28 4.57 -0.82 -1.85 114.58 115.78 2kne h GLU 123 Ca -0.02 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2kne h GLU 123 Cb 1.27 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.94 2kne h GLU 123 CO 0.13 -0.41 0.42 0.52 -1.18 0.00 0.00 179.01 178.49 2kne h MET 124 N -0.64 0.75 -0.65 1.92 2.86 -1.50 -2.08 114.93 115.59 2kne h MET 124 Ca -0.05 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2kne h MET 124 Cb 0.52 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2kne h MET 124 CO 0.07 0.50 0.41 0.82 1.06 0.00 0.00 176.91 179.77 2kne h ILE 125 N 0.77 1.12 -0.96 -1.22 2.04 -1.46 -2.22 117.51 115.59 2kne h ILE 125 Ca 0.33 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2kne h ILE 125 Cb 0.20 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2kne h ILE 125 CO -0.18 0.15 0.63 -0.09 0.00 0.00 0.00 178.15 178.66 2kne h ARG 126 N 0.83 1.21 -0.89 2.37 2.43 -0.65 0.53 114.38 120.21 2kne h ARG 126 Ca 0.25 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2kne h ARG 126 Cb -0.04 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.19 2kne h ARG 126 CO -0.08 0.80 0.57 0.93 -1.51 0.00 0.00 179.97 180.68 2kne h GLU 127 N 1.24 1.06 0.00 0.20 5.08 -1.03 -2.93 114.58 118.21 2kne h GLU 127 Ca 0.37 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2kne h GLU 127 Cb -0.06 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 2kne h GLU 127 CO -0.10 0.70 -1.31 0.00 -1.00 0.00 0.00 179.01 177.30 2kne h ALA 128 N 1.38 0.63 -0.76 3.43 0.00 -1.35 -3.44 119.26 119.15 2kne h ALA 128 Ca 0.36 -0.70 -0.36 0.00 0.00 0.00 0.00 54.91 54.21 2kne h ALA 128 Cb 0.05 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2kne h ALA 128 CO -0.13 0.77 0.94 0.34 0.00 0.00 0.00 179.25 181.16 2kne s ASP 129 N -5.75 5.41 0.33 0.00 2.15 0.15 -4.75 116.67 114.20 2kne s ASP 129 Ca -0.02 -0.96 0.26 0.00 0.43 0.00 0.00 52.55 52.26 2kne s ASP 129 Cb 0.09 -2.57 1.07 0.00 -0.30 0.00 0.00 42.92 41.22 2kne s ASP 129 CO 0.80 -2.53 1.78 0.40 -0.17 0.00 0.00 175.17 175.45 2kne h ILE 130 N 7.03 0.00 -3.70 4.11 2.04 -1.85 -3.43 117.51 121.71 2kne h ILE 130 Ca 0.14 -0.30 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 2kne h ILE 130 Cb 1.00 1.09 -0.25 0.00 -0.74 0.00 0.00 36.82 37.92 2kne h ILE 130 CO 1.26 0.00 -0.64 1.51 0.00 0.00 0.00 178.15 180.27 2kne s ASP 131 N -4.58 0.04 -0.21 1.72 -4.77 -1.26 -5.05 116.67 102.55 2kne s ASP 131 Ca 0.04 -0.12 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 2kne s ASP 131 Cb 0.09 0.12 -0.13 0.00 -1.09 0.00 0.00 42.92 41.91 2kne s ASP 131 CO 0.43 -0.15 2.27 0.61 0.70 0.00 0.00 175.17 179.03 2kne n GLY 132 N 2.39 2.39 0.01 2.12 0.00 -1.26 -4.15 105.19 106.68 2kne n GLY 132 Ca -0.17 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.23 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 3.04 0.58 0.00 1.61 5.75 -1.26 -4.95 116.55 121.32 2kne n ASP 133 Ca 0.30 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2kne n ASP 133 Cb 0.44 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 134 N 1.50 0.74 3.13 6.12 0.00 -1.26 -5.00 105.19 110.41 2kne n GLY 134 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2kne n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.20 0.71 -0.29 1.61 -0.21 -1.26 -4.71 119.66 115.31 2kne s GLN 135 Ca 0.00 -1.05 -0.11 0.00 0.02 0.00 0.00 55.36 54.22 2kne s GLN 135 Cb 0.00 -0.34 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 2kne s GLN 135 CO 0.00 0.04 0.18 0.08 -2.12 0.00 0.00 175.29 173.47 2kne s VAL 136 N -2.35 5.16 0.80 1.09 1.01 -0.99 -4.89 120.40 120.23 2kne s VAL 136 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2kne s VAL 136 Cb -0.03 -3.50 0.12 0.00 0.00 0.00 0.00 36.38 32.97 2kne s VAL 136 CO -0.01 0.20 1.13 0.20 0.00 0.00 0.00 175.10 176.62 2kne s ASN 137 N 1.73 4.11 0.23 3.32 0.01 -1.26 -1.63 114.94 121.44 2kne s ASN 137 Ca 0.07 0.24 -0.07 0.00 -0.71 0.00 0.00 52.86 52.38 2kne s ASN 137 Cb -0.16 -0.61 0.21 0.00 0.41 0.00 0.00 41.25 41.10 2kne s ASN 137 CO 0.10 -2.07 1.87 0.22 -1.51 0.00 0.00 177.10 175.70 2kne h TYR 138 N -0.98 1.22 -0.48 2.20 3.20 -1.99 -1.54 116.97 118.60 2kne h TYR 138 Ca -0.43 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.28 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kne h TYR 138 CO -0.29 0.82 0.24 0.93 -1.64 0.00 0.00 178.16 178.22 2kne h GLU 139 N 1.25 0.69 -0.57 1.82 5.08 -1.98 -1.57 114.58 119.30 2kne h GLU 139 Ca 0.32 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 139 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2kne h GLU 139 CO -0.06 0.56 0.04 0.93 -1.00 0.00 0.00 179.01 179.49 2kne h GLU 140 N 0.63 0.95 -0.43 2.33 5.08 -1.80 -1.71 114.58 119.63 2kne h GLU 140 Ca 0.17 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kne h GLU 140 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kne h GLU 140 CO -0.02 0.92 0.25 0.35 -1.00 0.00 0.00 179.01 179.50 2kne h PHE 141 N 0.89 0.58 -0.26 4.33 3.57 -0.97 -2.73 116.94 122.35 2kne h PHE 141 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2kne h PHE 141 Cb 0.47 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kne h PHE 141 CO 0.03 0.42 0.04 0.28 -2.23 0.00 0.00 178.31 176.85 2kne h VAL 142 N 0.57 1.23 -0.76 1.41 2.07 -1.12 -2.06 116.25 117.60 2kne h VAL 142 Ca 0.15 -0.78 0.16 0.00 0.82 0.00 0.00 66.70 67.05 2kne h VAL 142 Cb 0.02 1.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 2kne h VAL 142 CO -0.03 0.25 0.24 -0.61 0.02 0.00 0.00 177.57 177.44 2kne h GLN 143 N 0.24 0.32 -0.17 1.57 4.15 -1.17 0.20 115.11 120.25 2kne h GLN 143 Ca 0.08 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.28 2kne h GLN 143 Cb 0.33 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2kne h GLN 143 CO 0.01 0.21 -0.69 0.52 -1.93 0.00 0.00 178.83 176.95 2kne h MET 144 N 0.33 0.70 -0.08 1.69 2.86 -1.33 0.18 114.93 119.29 2kne h MET 144 Ca 0.43 -0.53 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2kne h MET 144 Cb 0.72 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2kne h MET 144 CO -0.48 1.15 -0.19 0.52 1.06 0.00 0.00 176.91 178.97 2kne h MET 145 N 0.50 0.27 0.00 1.72 2.86 -0.60 -3.29 114.93 116.39 2kne h MET 145 Ca -0.03 -0.18 -0.20 0.00 -2.06 0.00 0.00 59.70 57.22 2kne h MET 145 Cb 1.29 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 2kne h MET 145 CO 0.14 0.79 -0.99 1.15 1.06 0.00 0.00 176.91 179.06 2kne h THR 146 N -0.21 1.64 -0.14 2.22 2.02 -0.74 -3.45 112.91 114.25 2kne h THR 146 Ca -0.00 -3.33 -0.77 0.00 0.77 0.00 0.00 66.41 63.08 2kne h THR 146 Cb 0.80 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.98 2kne h THR 146 CO 0.04 0.93 1.29 0.00 0.37 0.00 0.00 175.52 178.16 2kne n ALA 147 N -2.35 0.20 -0.53 6.16 0.00 0.63 -5.07 120.51 119.55 2kne n ALA 147 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kne n ALA 147 Cb 0.93 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2kne n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13