#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne n ASP 2 N 0.00 0.00 -4.33 0.00 8.00 -1.26 -4.53 116.55 114.43 2kne n ASP 2 Ca 0.00 -0.23 -0.46 0.00 0.71 0.00 0.00 54.79 54.81 2kne n ASP 2 Cb 0.00 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 2kne n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kne s GLN 3 N -2.50 3.12 -0.01 -1.24 -0.21 -1.26 -4.81 119.66 112.75 2kne s GLN 3 Ca 0.30 -1.77 0.07 0.00 0.02 0.00 0.00 55.36 53.97 2kne s GLN 3 Cb 0.20 -4.33 -0.10 0.00 1.00 0.00 0.00 33.01 29.78 2kne s GLN 3 CO 0.43 -1.37 0.20 1.28 -2.12 0.00 0.00 175.29 173.71 2kne n LEU 4 N 5.25 0.09 -4.73 2.90 4.77 -1.26 -5.00 117.00 119.01 2kne n LEU 4 Ca -0.08 -0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 2kne n LEU 4 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2kne n LEU 4 CO 0.51 0.02 0.68 0.42 -1.33 0.00 0.00 177.39 177.70 2kne s THR 5 N -2.27 4.31 0.13 -5.08 -4.23 -1.26 -4.95 115.64 102.29 2kne s THR 5 Ca -0.01 2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 62.24 2kne s THR 5 Cb 0.05 -4.28 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2kne s THR 5 CO 0.29 0.35 1.61 -0.08 -0.54 0.00 0.00 174.62 176.25 2kne h GLU 6 N 5.19 -0.43 -1.01 3.99 4.57 -2.02 -1.75 114.58 123.12 2kne h GLU 6 Ca -0.44 0.03 0.35 0.00 -1.18 0.00 0.00 59.36 58.13 2kne h GLU 6 Cb 1.21 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.79 2kne h GLU 6 CO 0.71 -0.29 0.64 -1.91 -1.18 0.00 0.00 179.01 176.99 2kne n GLU 7 N -5.42 -0.03 0.05 1.92 2.13 -1.26 0.28 120.64 118.31 2kne n GLU 7 Ca -0.04 0.94 -0.05 0.00 0.66 0.00 0.00 57.16 58.67 2kne n GLU 7 Cb 0.33 -1.85 0.14 0.00 0.27 0.00 0.00 31.44 30.34 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2kne h GLN 8 N 0.00 0.37 -0.48 5.31 5.75 -1.71 -2.07 115.11 122.28 2kne h GLN 8 Ca 0.66 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.97 2kne h GLN 8 Cb 2.09 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 30.62 2kne h GLN 8 CO -0.36 0.77 0.30 0.82 -2.65 0.00 0.00 178.83 177.70 2kne h ILE 9 N 0.30 1.07 -0.29 2.39 1.08 0.39 -0.50 117.51 121.95 2kne h ILE 9 Ca 0.02 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 2kne h ILE 9 Cb 0.94 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 2kne h ILE 9 CO 0.08 0.11 -0.15 0.00 -0.69 0.00 0.00 178.15 177.50 2kne h ALA 10 N 1.20 0.07 -0.32 1.87 0.00 -1.23 0.99 119.26 121.85 2kne h ALA 10 Ca 0.19 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2kne h ALA 10 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2kne h ALA 10 CO -0.07 -0.55 0.19 0.93 0.00 0.00 0.00 179.25 179.75 2kne h GLU 11 N -0.12 0.43 -0.74 0.00 5.08 -0.84 -2.88 114.58 115.52 2kne h GLU 11 Ca 0.15 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2kne h GLU 11 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2kne h GLU 11 CO -0.36 0.33 0.31 0.74 -1.00 0.00 0.00 179.01 179.03 2kne h PHE 12 N 0.41 1.09 -0.13 4.33 -1.00 -0.71 -3.00 116.94 117.93 2kne h PHE 12 Ca 0.11 -0.07 0.05 0.00 2.81 0.00 0.00 57.97 60.87 2kne h PHE 12 Cb 0.01 -0.33 -0.06 0.00 3.61 0.00 0.00 35.95 39.18 2kne h PHE 12 CO -0.04 0.82 -0.25 -0.22 -1.61 0.00 0.00 178.31 177.01 2kne h LYS 13 N 1.06 -0.30 -0.93 1.51 1.63 -0.59 -0.51 116.57 118.44 2kne h LYS 13 Ca 0.25 0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.23 2kne h LYS 13 Cb 0.18 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.78 2kne h LYS 13 CO -0.02 -0.20 0.53 0.93 -3.45 0.00 0.00 179.45 177.23 2kne h GLU 14 N -0.32 0.69 -0.88 1.90 5.08 -1.49 0.00 114.58 119.57 2kne h GLU 14 Ca 0.10 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2kne h GLU 14 Cb 0.47 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2kne h GLU 14 CO -0.32 0.46 0.57 0.00 -1.00 0.00 0.00 179.01 178.72 2kne h ALA 15 N 1.60 1.66 -0.85 3.43 0.00 -1.06 -2.46 119.26 121.57 2kne h ALA 15 Ca 0.52 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.48 2kne h ALA 15 Cb 0.76 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2kne h ALA 15 CO -0.37 0.16 0.53 0.74 0.00 0.00 0.00 179.25 180.32 2kne h PHE 16 N 0.86 0.99 0.00 0.00 -1.00 -0.52 -0.63 116.94 116.65 2kne h PHE 16 Ca 0.41 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.22 2kne h PHE 16 Cb 0.42 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2kne h PHE 16 CO -0.00 0.52 0.00 0.45 -1.61 0.00 0.00 178.31 177.67 2kne n SER 17 N -4.60 0.63 -0.19 2.17 2.88 -0.93 -2.21 113.62 111.36 2kne n SER 17 Ca 0.12 0.72 -0.08 0.00 -1.33 0.00 0.00 58.87 58.30 2kne n SER 17 Cb 0.15 -0.83 0.02 0.00 -0.75 0.00 0.00 64.21 62.80 2kne n SER 17 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kne h LEU 18 N 0.00 0.79 0.00 2.46 5.85 -1.15 -3.29 115.31 119.98 2kne h LEU 18 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2kne h LEU 18 Cb 0.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kne h LEU 18 CO 0.00 0.79 -1.07 2.22 -0.34 0.00 0.00 178.44 180.03 2kne n PHE 19 N -4.46 0.00 -2.37 1.25 1.16 -1.13 -4.86 117.46 107.05 2kne n PHE 19 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 2kne n PHE 19 Cb 0.20 -0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 37.90 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 -2.91 5.93 0.05 5.98 1.01 -0.94 -4.82 116.67 120.97 2kne s ASP 20 Ca 0.01 -0.67 -0.21 0.00 0.71 0.00 0.00 52.55 52.40 2kne s ASP 20 Cb 0.11 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 2kne s ASP 20 CO 0.61 -1.99 1.40 0.11 0.21 0.00 0.00 175.17 175.51 2kne h LYS 21 N 11.06 0.31 -0.61 8.23 1.79 -1.89 -3.26 116.57 132.20 2kne h LYS 21 Ca -0.06 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2kne h LYS 21 Cb 1.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2kne h LYS 21 CO 1.30 0.64 0.00 -0.40 -1.08 0.00 0.00 179.45 179.91 2kne n ASP 22 N -4.65 4.50 -3.95 0.86 5.68 -1.26 -4.96 116.55 112.77 2kne n ASP 22 Ca -0.06 -2.40 -0.28 0.00 -0.50 0.00 0.00 54.79 51.55 2kne n ASP 22 Cb 0.30 -0.54 -0.07 0.00 -1.14 0.00 0.00 41.12 39.66 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 23 N 1.05 -0.18 0.16 6.12 0.00 -1.23 -4.76 105.19 106.35 2kne n GLY 23 Ca 0.24 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.10 0.62 0.00 1.61 5.75 -1.26 -4.90 116.55 116.28 2kne n ASP 24 Ca -0.14 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 2kne n ASP 24 Cb 0.49 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.88 3.05 6.12 0.00 -1.26 -5.03 105.19 110.21 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 -2.92 0.39 -0.20 2.61 -4.23 -1.26 -4.75 115.64 105.28 2kne s THR 26 Ca 0.00 -1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 2kne s THR 26 Cb 0.00 -0.71 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 2kne s THR 26 CO 0.00 -0.53 0.50 -0.63 -0.54 0.00 0.00 174.62 173.41 2kne s ILE 27 N -1.90 5.12 0.32 2.99 1.09 -0.89 -4.93 121.20 122.99 2kne s ILE 27 Ca -0.08 0.91 0.09 0.00 -1.10 0.00 0.00 60.65 60.47 2kne s ILE 27 Cb -0.07 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 2kne s ILE 27 CO -0.02 0.19 0.08 0.42 -0.10 0.00 0.00 174.94 175.52 2kne s THR 28 N 1.56 3.13 0.34 2.92 -4.23 -1.26 -2.72 115.64 115.38 2kne s THR 28 Ca 0.23 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2kne s THR 28 Cb -0.15 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2kne s THR 28 CO 0.09 -0.25 1.99 0.71 -0.54 0.00 0.00 174.62 176.63 2kne h THR 29 N 1.68 1.14 0.89 3.99 1.35 -1.92 -1.98 112.91 118.07 2kne h THR 29 Ca -0.44 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2kne h THR 29 Cb 1.25 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.86 2kne h THR 29 CO 0.63 0.16 -0.43 0.50 -0.25 0.00 0.00 175.52 176.13 2kne h LYS 30 N 0.88 -1.16 0.00 4.72 3.64 -1.98 -2.57 116.57 120.10 2kne h LYS 30 Ca 0.26 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2kne h LYS 30 Cb -0.02 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2kne h LYS 30 CO -0.07 -0.77 -0.13 1.05 -2.27 0.00 0.00 179.45 177.27 2kne h GLU 31 N -1.29 0.00 0.42 1.90 4.11 -1.90 -2.44 114.58 115.39 2kne h GLU 31 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2kne h GLU 31 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2kne h GLU 31 CO 0.20 0.13 -0.20 1.25 0.07 0.00 0.00 179.01 180.45 2kne h LEU 32 N 0.00 -0.48 -1.17 3.06 5.85 -1.23 -2.96 115.31 118.38 2kne h LEU 32 Ca -0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kne h LEU 32 Cb 0.24 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2kne h LEU 32 CO 0.02 -0.30 0.56 1.23 -0.34 0.00 0.00 178.44 179.61 2kne h GLY 33 N -0.63 1.20 0.84 3.75 0.00 -1.19 -2.75 103.07 104.29 2kne h GLY 33 Ca -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2kne h GLY 33 CO 0.10 0.41 -0.21 -0.84 0.00 0.00 0.00 176.54 176.00 2kne h THR 34 N 1.12 0.56 -0.52 4.70 2.02 -1.35 -1.37 112.91 118.06 2kne h THR 34 Ca 0.32 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.56 2kne h THR 34 Cb -0.07 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 2kne h THR 34 CO -0.08 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.62 2kne h VAL 35 N -0.49 0.90 -0.92 3.16 2.07 -1.33 -1.11 116.25 118.53 2kne h VAL 35 Ca -0.02 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2kne h VAL 35 Cb 0.43 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2kne h VAL 35 CO 0.00 0.08 0.60 -0.03 0.02 0.00 0.00 177.57 178.25 2kne h MET 36 N 0.45 1.12 -0.98 1.57 -1.53 -1.31 -1.35 114.93 112.91 2kne h MET 36 Ca 0.24 -0.07 0.16 0.00 -3.44 0.00 0.00 59.70 56.59 2kne h MET 36 Cb 0.20 -0.25 -0.10 0.00 -0.55 0.00 0.00 31.60 30.90 2kne h MET 36 CO -0.20 0.74 0.59 -0.09 0.14 0.00 0.00 176.91 178.09 2kne h ARG 37 N 1.15 0.80 0.00 0.39 2.43 -0.05 0.75 114.38 119.85 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 0.01 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2kne h ARG 37 CO -0.11 0.53 -0.01 0.66 -1.51 0.00 0.00 179.97 179.52 2kne h SER 38 N 0.82 0.00 0.10 -3.80 4.64 -0.90 0.47 113.55 114.88 2kne h SER 38 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2kne h SER 38 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 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 -3.19 0.00 0.00 5.97 7.94 0.26 -4.76 117.00 123.22 2kne n LEU 39 Ca -0.02 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2kne n LEU 39 Cb 0.15 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2kne n LEU 39 CO 0.23 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 2kne n GLY 40 N 0.41 0.73 3.45 -3.96 0.00 0.15 -5.08 105.19 100.90 2kne n GLY 40 Ca 0.15 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.96 1.62 -0.53 1.61 -1.52 -1.20 -5.09 119.66 112.60 2kne s GLN 41 Ca 0.00 -1.86 0.05 0.00 -1.95 0.00 0.00 55.36 51.61 2kne s GLN 41 Cb 0.00 -1.12 0.20 0.00 -0.22 0.00 0.00 33.01 31.86 2kne s GLN 41 CO 0.00 -0.04 0.48 0.27 -0.25 0.00 0.00 175.29 175.75 2kne n ASN 42 N -0.65 1.26 -4.75 5.90 0.23 -1.26 -4.26 115.26 111.72 2kne n ASN 42 Ca -0.04 -2.83 -0.37 0.00 -0.53 0.00 0.00 54.58 50.81 2kne n ASN 42 Cb 0.65 -0.64 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 2kne n ASN 42 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2kne s PRO 43 N -0.98 3.02 0.74 -0.53 0.02 -1.26 -5.02 135.00 130.99 2kne s PRO 43 Ca 0.32 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2kne s PRO 43 Cb 0.06 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.57 2kne s PRO 43 CO -0.15 -1.20 1.11 0.95 -0.33 0.00 0.00 177.00 177.38 2kne s THR 44 N -1.49 3.24 0.18 0.99 -4.23 -1.26 -4.95 115.64 108.12 2kne s THR 44 Ca 0.76 0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 61.54 2kne s THR 44 Cb -0.34 -3.35 0.08 0.00 1.34 0.00 0.00 72.50 70.23 2kne s THR 44 CO 0.37 -0.53 1.82 -0.08 -0.54 0.00 0.00 174.62 175.67 2kne h GLU 45 N -0.79 0.62 -0.15 3.99 4.22 -2.03 -1.64 114.58 118.81 2kne h GLU 45 Ca -0.45 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 58.99 2kne h GLU 45 Cb 1.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kne h GLU 45 CO 0.63 0.41 0.19 0.00 -2.18 0.00 0.00 179.01 178.06 2kne h ALA 46 N 1.24 1.70 -0.66 2.92 0.00 -2.01 -1.15 119.26 121.29 2kne h ALA 46 Ca 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2kne h ALA 46 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2kne h ALA 46 CO -0.10 -0.27 0.16 1.49 0.00 0.00 0.00 179.25 180.54 2kne h GLU 47 N 0.00 1.05 -0.96 0.00 4.57 -1.66 -1.84 114.58 115.74 2kne h GLU 47 Ca 0.07 -0.25 0.13 0.00 -1.18 0.00 0.00 59.36 58.14 2kne h GLU 47 Cb 0.45 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.82 2kne h GLU 47 CO -0.00 0.94 0.61 -0.07 -1.18 0.00 0.00 179.01 179.30 2kne h LEU 48 N 0.97 0.81 0.20 1.64 4.07 -1.28 -1.83 115.31 119.88 2kne h LEU 48 Ca 0.21 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 2kne h LEU 48 Cb 0.36 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2kne h LEU 48 CO 0.00 0.41 -0.09 -0.61 -1.08 0.00 0.00 178.44 177.07 2kne h GLN 49 N 0.85 -0.26 -0.23 1.13 4.15 -1.50 -2.80 115.11 116.45 2kne h GLN 49 Ca 0.48 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.97 2kne h GLN 49 Cb 0.61 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 2kne h GLN 49 CO -0.25 0.13 -0.09 0.22 -1.93 0.00 0.00 178.83 176.91 2kne h ASP 50 N -0.90 -0.30 -0.04 -0.69 1.82 -1.11 -0.95 116.42 114.26 2kne h ASP 50 Ca -0.03 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2kne h ASP 50 Cb 0.50 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 2kne h ASP 50 CO 0.04 -0.11 -0.00 0.24 -1.61 0.00 0.00 179.24 177.80 2kne h MET 51 N -0.04 0.07 -0.26 0.28 2.86 -1.48 -2.89 114.93 113.46 2kne h MET 51 Ca 0.12 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2kne h MET 51 Cb 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2kne h MET 51 CO -0.27 0.39 0.14 0.82 1.06 0.00 0.00 176.91 179.05 2kne h ILE 52 N -0.26 1.01 -0.48 -1.22 1.08 -1.42 -2.42 117.51 113.79 2kne h ILE 52 Ca 0.01 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 2kne h ILE 52 Cb 0.36 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 2kne h ILE 52 CO 0.00 0.05 0.32 0.78 -0.69 0.00 0.00 178.15 178.62 2kne h ASN 53 N 0.29 0.30 -0.53 1.72 2.35 -1.20 0.04 115.58 118.55 2kne h ASN 53 Ca 0.11 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 2kne h ASN 53 Cb 0.02 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2kne h ASN 53 CO -0.06 0.19 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.46 2kne h GLU 54 N 0.34 1.02 0.00 0.81 5.08 -1.21 -3.11 114.58 117.50 2kne h GLU 54 Ca 0.21 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2kne h GLU 54 Cb 0.41 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kne h GLU 54 CO -0.05 1.07 -0.70 0.28 -1.00 0.00 0.00 179.01 178.62 2kne h VAL 55 N 0.89 0.12 -0.94 3.13 2.07 -1.30 -3.43 116.25 116.78 2kne h VAL 55 Ca 0.14 -1.21 -0.58 0.00 0.82 0.00 0.00 66.70 65.87 2kne h VAL 55 Cb 0.69 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2kne h VAL 55 CO 0.05 0.07 1.63 -0.62 0.02 0.00 0.00 177.57 178.72 2kne s ASP 56 N -5.76 6.37 0.31 0.57 2.15 -0.05 -4.84 116.67 115.43 2kne s ASP 56 Ca 0.02 -1.71 -0.00 0.00 0.43 0.00 0.00 52.55 51.28 2kne s ASP 56 Cb 0.08 -2.57 0.51 0.00 -0.30 0.00 0.00 42.92 40.63 2kne s ASP 56 CO 0.75 -1.63 1.94 0.00 -0.17 0.00 0.00 175.17 176.07 2kne h ALA 57 N 9.21 1.41 -0.01 3.66 0.00 -1.85 -2.63 119.26 129.06 2kne h ALA 57 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kne h ALA 57 Cb 0.96 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kne h ALA 57 CO 1.40 0.50 -0.08 -0.40 0.00 0.00 0.00 179.25 180.67 2kne n ASP 58 N -4.38 0.81 -1.81 0.00 5.75 -1.26 -4.92 116.55 110.73 2kne n ASP 58 Ca 0.07 -0.99 -0.20 0.00 -0.01 0.00 0.00 54.79 53.65 2kne n ASP 58 Cb 0.09 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.21 1.19 0.43 6.12 0.00 -0.99 -4.85 105.19 108.30 2kne n GLY 59 Ca 0.17 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.50 1.30 0.00 1.61 6.94 -1.26 -4.90 115.26 117.44 2kne n ASN 60 Ca -0.22 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 2kne n ASN 60 Cb 0.68 -0.09 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 1.04 0.86 3.44 4.83 0.00 -1.26 -5.00 105.19 109.09 2kne n GLY 61 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.38 0.02 -0.15 2.61 -4.23 -1.26 -4.71 115.64 104.53 2kne s THR 62 Ca 0.00 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2kne s THR 62 Cb 0.00 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2kne s THR 62 CO 0.00 -0.09 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.26 2kne s ILE 63 N -4.03 3.24 0.27 2.99 1.01 -1.10 -4.81 121.20 118.77 2kne s ILE 63 Ca 0.24 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2kne s ILE 63 Cb 0.02 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.14 2kne s ILE 63 CO 0.07 0.51 0.30 -0.67 0.00 0.00 0.00 174.94 175.15 2kne n ASP 64 N 3.69 1.33 0.29 3.58 2.03 -1.26 -2.10 116.55 124.10 2kne n ASP 64 Ca -0.18 -1.79 -0.17 0.00 0.52 0.00 0.00 54.79 53.17 2kne n ASP 64 Cb 0.52 -0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 40.71 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kne h PHE 65 N 0.26 -1.00 -0.48 -0.67 3.04 -1.99 -1.41 116.94 114.68 2kne h PHE 65 Ca -0.14 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.90 2kne h PHE 65 Cb 0.59 0.37 -0.09 0.00 2.56 0.00 0.00 35.95 39.39 2kne h PHE 65 CO 0.00 -0.54 -0.11 -1.00 -2.02 0.00 0.00 178.31 174.64 2kne h PRO 66 N -0.85 0.01 0.00 6.41 0.13 -2.01 0.64 132.00 136.34 2kne h PRO 66 Ca -0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2kne h PRO 66 Cb 0.72 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kne h PRO 66 CO 0.00 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 178.71 2kne h GLU 67 N 0.01 0.00 0.25 0.86 5.08 -1.92 -2.65 114.58 116.21 2kne h GLU 67 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 67 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kne h GLU 67 CO -0.49 0.00 -0.12 0.35 -1.00 0.00 0.00 179.01 177.75 2kne h PHE 68 N 0.00 -0.32 -0.54 4.33 3.57 0.14 -3.36 116.94 120.77 2kne h PHE 68 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 68 Cb 0.09 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2kne h PHE 68 CO 0.00 -0.03 0.29 -0.07 -2.23 0.00 0.00 178.31 176.27 2kne h LEU 69 N -1.01 0.45 -0.51 0.59 3.38 -1.07 -2.93 115.31 114.20 2kne h LEU 69 Ca -0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2kne h LEU 69 Cb 0.42 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2kne h LEU 69 CO 0.06 0.31 -0.30 0.41 0.09 0.00 0.00 178.44 179.01 2kne n THR 70 N -4.83 -0.34 -0.23 0.22 -1.04 -1.11 -0.72 114.28 106.22 2kne n THR 70 Ca 0.05 1.86 -0.07 0.00 -2.04 0.00 0.00 64.05 63.85 2kne n THR 70 Cb 0.12 -2.36 0.04 0.00 -1.82 0.00 0.00 70.33 66.31 2kne n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne h MET 71 N 0.00 0.96 -0.94 -2.82 -0.00 -1.69 -3.03 114.93 107.41 2kne h MET 71 Ca 0.08 -0.17 0.03 0.00 -0.00 0.00 0.00 59.70 59.64 2kne h MET 71 Cb 0.21 -0.16 -0.06 0.00 -0.00 0.00 0.00 31.60 31.60 2kne h MET 71 CO -0.47 0.81 0.62 0.52 -0.00 0.00 0.00 176.91 178.38 2kne h MET 72 N 0.91 1.16 -0.24 -0.10 2.07 -1.04 0.47 114.93 118.15 2kne h MET 72 Ca 0.22 -0.07 -0.06 0.00 -2.07 0.00 0.00 59.70 57.71 2kne h MET 72 Cb 0.20 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 2kne h MET 72 CO -0.02 0.77 -0.12 0.00 1.07 0.00 0.00 176.91 178.61 2kne h ALA 73 N 1.39 1.35 0.00 6.32 0.00 -0.81 -2.61 119.26 124.90 2kne h ALA 73 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 73 Cb -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kne h ALA 73 CO -0.12 0.44 -0.78 0.54 0.00 0.00 0.00 179.25 179.33 2kne n ARG 74 N -4.23 0.01 -1.78 0.00 1.74 -0.85 -4.58 116.66 106.97 2kne n ARG 74 Ca 0.00 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2kne n ARG 74 Cb 0.30 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.52 3.49 -0.44 5.56 3.00 0.16 -4.47 118.16 123.95 2kne n LYS 75 Ca 0.05 -2.80 0.08 0.00 -0.00 0.00 0.00 58.31 55.63 2kne n LYS 75 Cb 0.34 -2.99 0.26 0.00 0.00 0.00 0.00 35.03 32.64 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 4.32 3.21 -1.59 1.64 2.81 -1.26 -4.95 117.12 121.30 2kne n MET 76 Ca 0.58 -2.66 -0.49 0.00 -1.81 0.00 0.00 57.70 53.33 2kne n MET 76 Cb 0.32 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.06 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 0.16 1.26 -3.03 0.03 4.81 -1.26 -4.90 118.16 115.23 2kne n LYS 77 Ca 0.20 0.45 -0.43 0.00 -0.87 0.00 0.00 58.31 57.66 2kne n LYS 77 Cb 0.79 -2.00 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kne s ASP 78 N 0.16 6.30 -0.26 3.14 2.15 -1.26 -5.02 116.67 121.87 2kne s ASP 78 Ca 0.75 -0.55 -0.18 0.00 0.43 0.00 0.00 52.55 53.00 2kne s ASP 78 Cb -0.85 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 39.39 2kne s ASP 78 CO 0.50 -0.98 0.54 -0.89 -0.17 0.00 0.00 175.17 174.17 2kne s THR 79 N 3.14 5.05 -0.26 1.71 2.01 -1.26 -5.01 115.64 121.02 2kne s THR 79 Ca 0.23 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 2kne s THR 79 Cb -0.15 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2kne s THR 79 CO 0.17 0.08 1.70 -1.81 -0.69 0.00 0.00 174.62 174.07 2kne s ASP 80 N 1.51 6.16 0.57 3.53 1.01 -1.26 -4.80 116.67 123.40 2kne s ASP 80 Ca 0.22 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.99 2kne s ASP 80 Cb -0.16 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kne s ASP 80 CO 0.09 -1.45 0.88 -1.20 0.21 0.00 0.00 175.17 173.70 2kne n SER 81 N 9.24 0.00 -0.16 0.27 7.64 -1.26 0.63 113.62 129.99 2kne n SER 81 Ca 0.21 0.45 -0.11 0.00 1.01 0.00 0.00 58.87 60.42 2kne n SER 81 Cb 0.46 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.99 -1.15 1.43 5.08 -2.01 -3.06 114.58 115.87 2kne h GLU 82 Ca 0.02 -0.42 0.33 0.00 -1.00 0.00 0.00 59.36 58.29 2kne h GLU 82 Cb 1.78 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.90 2kne h GLU 82 CO -0.00 1.10 0.75 1.49 -1.00 0.00 0.00 179.01 181.35 2kne h GLU 83 N 0.86 0.25 0.00 2.33 4.81 -0.18 0.51 114.58 123.16 2kne h GLU 83 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kne h GLU 83 Cb 0.79 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2kne h GLU 83 CO 0.07 0.16 -0.75 1.49 -0.73 0.00 0.00 179.01 179.25 2kne h GLU 84 N 0.25 0.00 0.00 1.92 4.57 -1.72 -3.28 114.58 116.33 2kne h GLU 84 Ca 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 2kne h GLU 84 Cb 1.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 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 -2.70 0.00 -0.30 2.32 2.08 0.18 -1.19 119.36 119.75 2kne n ILE 85 Ca 0.01 1.23 -0.05 0.00 0.56 0.00 0.00 62.75 64.50 2kne n ILE 85 Cb 0.53 -2.20 0.07 0.00 -0.75 0.00 0.00 39.64 37.29 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 -0.89 0.38 3.08 -1.76 -2.88 114.38 113.43 2kne h ARG 86 Ca 0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2kne h ARG 86 Cb 0.00 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 2kne h ARG 86 CO 0.00 0.82 0.53 0.93 -1.07 0.00 0.00 179.97 181.18 2kne h GLU 87 N 1.12 1.22 0.00 0.04 5.08 -1.66 -1.37 114.58 119.01 2kne h GLU 87 Ca 0.28 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 87 Cb 0.02 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2kne h GLU 87 CO -0.05 0.86 -0.01 0.00 -1.00 0.00 0.00 179.01 178.82 2kne h ALA 88 N 1.29 1.04 0.07 3.43 0.00 -0.92 -2.65 119.26 121.52 2kne h ALA 88 Ca 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kne h ALA 88 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kne h ALA 88 CO -0.06 0.01 -0.03 0.35 0.00 0.00 0.00 179.25 179.52 2kne h PHE 89 N 0.00 -0.09 -0.83 0.00 3.57 -1.21 -2.76 116.94 115.63 2kne h PHE 89 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2kne h PHE 89 Cb 0.11 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 2kne h PHE 89 CO 0.00 0.43 0.47 -0.09 -2.23 0.00 0.00 178.31 176.89 2kne h ARG 90 N -0.67 0.75 -0.40 1.11 2.43 -1.47 0.39 114.38 116.53 2kne h ARG 90 Ca -0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2kne h ARG 90 Cb 0.56 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2kne h ARG 90 CO 0.02 0.50 0.03 0.28 -1.51 0.00 0.00 179.97 179.29 2kne h VAL 91 N 0.78 1.25 -0.40 0.20 2.07 -1.61 -3.09 116.25 115.45 2kne h VAL 91 Ca 0.41 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 2kne h VAL 91 Cb 0.40 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2kne h VAL 91 CO -0.26 0.32 -0.30 -0.26 0.02 0.00 0.00 177.57 177.09 2kne h PHE 92 N 0.53 1.04 -1.60 1.57 -1.00 -1.02 -3.31 116.94 113.15 2kne h PHE 92 Ca 0.12 -0.28 -0.71 0.00 2.81 0.00 0.00 57.97 59.91 2kne h PHE 92 Cb 0.43 -0.23 -0.13 0.00 3.61 0.00 0.00 35.95 39.62 2kne h PHE 92 CO 0.03 1.08 1.68 0.34 -1.61 0.00 0.00 178.31 179.83 2kne s ASP 93 N -6.79 6.93 0.12 2.17 -1.08 0.13 -4.64 116.67 113.51 2kne s ASP 93 Ca -0.10 -2.65 -0.20 0.00 -0.52 0.00 0.00 52.55 49.07 2kne s ASP 93 Cb 0.12 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 39.05 2kne s ASP 93 CO 0.86 -0.97 1.73 0.50 0.52 0.00 0.00 175.17 177.81 2kne h LYS 94 N 7.53 0.06 -0.22 4.34 3.64 -1.71 -2.60 116.57 127.62 2kne h LYS 94 Ca 0.36 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2kne h LYS 94 Cb 0.89 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2kne h LYS 94 CO 1.33 0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 178.16 2kne n ASP 95 N -5.12 2.06 -3.83 4.20 5.68 -1.26 -4.94 116.55 113.35 2kne n ASP 95 Ca -0.03 -1.79 -0.24 0.00 -0.50 0.00 0.00 54.79 52.23 2kne n ASP 95 Cb 0.09 -0.14 0.01 0.00 -1.14 0.00 0.00 41.12 39.94 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 96 N 1.21 -0.30 0.64 6.12 0.00 -0.98 -4.85 105.19 107.03 2kne n GLY 96 Ca 0.17 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.99 1.88 0.00 1.61 0.23 -1.26 -4.89 115.26 109.84 2kne n ASN 97 Ca -0.25 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 2kne n ASN 97 Cb 0.65 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kne n GLY 98 N 1.14 0.82 3.09 4.83 0.00 -1.26 -5.02 105.19 108.79 2kne n GLY 98 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.17 0.30 -0.35 1.61 2.02 -1.26 -4.59 117.35 111.91 2kne s TYR 99 Ca 0.00 -0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 55.84 2kne s TYR 99 Cb 0.00 -0.22 -0.00 0.00 -0.40 0.00 0.00 41.96 41.34 2kne s TYR 99 CO 0.00 -0.36 0.52 0.42 -1.57 0.00 0.00 175.55 174.56 2kne s ILE 100 N -2.91 5.01 0.28 2.71 1.01 -0.53 -4.70 121.20 122.07 2kne s ILE 100 Ca -0.02 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2kne s ILE 100 Cb 0.01 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 2kne s ILE 100 CO -0.06 -0.22 0.63 -0.55 0.00 0.00 0.00 174.94 174.74 2kne s SER 101 N 1.76 6.64 0.16 3.58 0.15 -1.26 -2.51 113.70 122.22 2kne s SER 101 Ca 0.19 1.03 -0.15 0.00 0.70 0.00 0.00 55.95 57.71 2kne s SER 101 Cb -0.15 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 61.97 2kne s SER 101 CO 0.13 -0.16 1.75 0.00 1.20 0.00 0.00 173.24 176.16 2kne h ALA 102 N 2.23 0.45 -1.00 5.45 0.00 -1.97 -1.35 119.26 123.07 2kne h ALA 102 Ca -0.47 0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.66 2kne h ALA 102 Cb 1.17 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2kne h ALA 102 CO 0.67 -0.26 0.61 0.00 0.00 0.00 0.00 179.25 180.27 2kne h ALA 103 N 1.26 1.62 -0.48 0.00 0.00 -1.99 0.05 119.26 119.72 2kne h ALA 103 Ca 0.18 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2kne h ALA 103 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kne h ALA 103 CO -0.19 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.01 2kne h GLU 104 N 0.83 0.85 -0.24 0.00 5.08 -1.60 -3.16 114.58 116.34 2kne h GLU 104 Ca 0.55 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2kne h GLU 104 Cb 0.78 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kne h GLU 104 CO -0.35 0.91 0.10 1.25 -1.00 0.00 0.00 179.01 179.92 2kne h LEU 105 N 0.71 0.32 -0.95 1.33 5.85 -0.18 -3.00 115.31 119.39 2kne h LEU 105 Ca 0.13 -0.15 0.30 0.00 0.84 0.00 0.00 57.88 59.00 2kne h LEU 105 Cb 0.53 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 2kne h LEU 105 CO 0.03 0.38 0.30 -0.09 -0.34 0.00 0.00 178.44 178.72 2kne h ARG 106 N 0.24 0.13 0.00 1.25 2.43 -1.12 1.12 114.38 118.43 2kne h ARG 106 Ca 0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2kne h ARG 106 Cb 0.15 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2kne h ARG 106 CO -0.01 0.09 -0.18 1.25 -1.51 0.00 0.00 179.97 179.61 2kne h HIS 107 N 0.14 0.00 -0.80 2.20 2.76 -1.58 -2.87 115.15 115.00 2kne h HIS 107 Ca 0.66 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.87 2kne h HIS 107 Cb 1.47 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.37 2kne h HIS 107 CO -0.23 0.18 0.49 0.28 -1.30 0.00 0.00 177.93 177.36 2kne h VAL 108 N 0.00 1.07 -0.78 5.26 2.07 0.12 -2.41 116.25 121.58 2kne h VAL 108 Ca -0.00 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2kne h VAL 108 Cb 0.35 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 2kne h VAL 108 CO 0.02 0.17 0.31 0.24 0.02 0.00 0.00 177.57 178.34 2kne h MET 109 N 0.93 0.43 -0.93 1.57 2.07 -1.52 -0.98 114.93 116.50 2kne h MET 109 Ca 0.34 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 58.02 2kne h MET 109 Cb 0.10 -0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 29.66 2kne h MET 109 CO -0.15 0.28 0.58 1.15 1.07 0.00 0.00 176.91 179.85 2kne h THR 110 N 0.44 1.01 -0.59 2.22 2.02 -1.58 0.28 112.91 116.71 2kne h THR 110 Ca 0.43 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2kne h THR 110 Cb 0.68 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2kne h THR 110 CO -0.42 0.19 0.07 0.78 0.37 0.00 0.00 175.52 176.50 2kne h ASN 111 N 1.01 0.97 1.25 4.18 -0.26 -1.18 -2.85 115.58 118.70 2kne h ASN 111 Ca 0.43 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2kne h ASN 111 Cb 0.27 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2kne h ASN 111 CO -0.21 1.00 -0.13 0.18 -1.06 0.00 0.00 177.43 177.22 2kne n LEU 112 N -4.28 0.64 -0.79 1.61 4.77 -0.61 -4.94 117.00 113.40 2kne n LEU 112 Ca 0.03 0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 2kne n LEU 112 Cb 0.30 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2kne n LEU 112 CO 0.43 -0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 176.92 2kne n GLY 113 N 1.35 0.17 0.14 -0.72 0.00 0.88 -4.94 105.19 102.08 2kne n GLY 113 Ca 0.05 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.54 2kne n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kne h GLU 114 N -0.11 0.00 -6.65 1.61 4.39 -1.70 -3.48 114.58 108.64 2kne h GLU 114 Ca -0.15 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.03 2kne h GLU 114 Cb 1.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2kne h GLU 114 CO 0.17 0.19 -0.98 1.63 -1.16 0.00 0.00 179.01 178.87 2kne n LYS 115 N -2.96 -0.69 -2.85 2.33 4.76 -1.26 -4.90 118.16 112.59 2kne n LYS 115 Ca -0.01 0.28 -0.34 0.00 -2.87 0.00 0.00 58.31 55.37 2kne n LYS 115 Cb 0.66 -3.12 -0.07 0.00 -1.84 0.00 0.00 35.03 30.66 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kne s LEU 116 N -6.87 4.08 0.86 -0.35 1.43 -1.26 -5.08 118.68 111.48 2kne s LEU 116 Ca 0.45 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 2kne s LEU 116 Cb -0.21 -4.32 0.15 0.00 0.03 0.00 0.00 46.19 41.83 2kne s LEU 116 CO 0.92 -0.25 1.20 0.42 0.23 0.00 0.00 176.35 178.87 2kne s THR 117 N -1.98 2.06 0.20 5.49 -4.23 -1.26 -4.84 115.64 111.07 2kne s THR 117 Ca 0.57 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2kne s THR 117 Cb -0.12 -2.92 0.12 0.00 1.34 0.00 0.00 72.50 70.92 2kne s THR 117 CO 0.17 0.00 1.83 -2.24 -0.54 0.00 0.00 174.62 173.84 2kne h ASP 118 N -1.20 0.63 -0.18 3.99 2.03 -1.99 -0.76 116.42 118.93 2kne h ASP 118 Ca -0.43 0.01 0.02 0.00 -0.73 0.00 0.00 57.03 55.90 2kne h ASP 118 Cb 1.27 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.62 2kne h ASP 118 CO 0.46 0.43 0.03 -0.33 -1.03 0.00 0.00 179.24 178.80 2kne h GLU 119 N 0.76 0.10 -0.01 4.15 4.39 -1.99 -1.68 114.58 120.30 2kne h GLU 119 Ca 0.26 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 2kne h GLU 119 Cb 0.04 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2kne h GLU 119 CO -0.11 0.07 -0.54 0.93 -1.16 0.00 0.00 179.01 178.19 2kne h GLU 120 N 0.10 0.03 -0.65 2.33 5.08 -1.86 -1.01 114.58 118.60 2kne h GLU 120 Ca 0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2kne h GLU 120 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2kne h GLU 120 CO -0.11 0.56 0.21 0.28 -1.00 0.00 0.00 179.01 178.95 2kne h VAL 121 N 0.02 1.25 -0.18 3.13 2.07 -0.80 -2.13 116.25 119.61 2kne h VAL 121 Ca -0.00 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 2kne h VAL 121 Cb 0.97 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2kne h VAL 121 CO 0.07 0.33 -0.51 -0.78 0.02 0.00 0.00 177.57 176.70 2kne h ASP 122 N 0.94 0.56 0.13 0.57 1.82 -1.12 -3.15 116.42 116.17 2kne h ASP 122 Ca 0.21 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2kne h ASP 122 Cb 0.29 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2kne h ASP 122 CO -0.01 0.97 -0.06 -0.08 -1.61 0.00 0.00 179.24 178.45 2kne h GLU 123 N 0.40 -0.17 -0.64 0.28 4.81 -0.67 -2.20 114.58 116.39 2kne h GLU 123 Ca 0.01 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2kne h GLU 123 Cb 1.04 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 2kne h GLU 123 CO 0.09 -0.10 0.32 0.52 -0.73 0.00 0.00 179.01 179.12 2kne h MET 124 N -0.20 0.57 -0.68 1.92 2.86 -1.47 -2.10 114.93 115.84 2kne h MET 124 Ca -0.02 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2kne h MET 124 Cb 0.15 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2kne h MET 124 CO 0.03 0.38 0.43 0.82 1.06 0.00 0.00 176.91 179.63 2kne h ILE 125 N 0.59 1.11 -0.50 -1.22 2.04 -1.46 -1.87 117.51 116.19 2kne h ILE 125 Ca 0.30 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2kne h ILE 125 Cb 0.24 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2kne h ILE 125 CO -0.21 0.15 0.29 0.03 0.00 0.00 0.00 178.15 178.41 2kne h ARG 126 N 0.84 0.68 -0.88 2.37 3.08 -0.75 -0.45 114.38 119.27 2kne h ARG 126 Ca 0.27 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.28 2kne h ARG 126 Cb -0.01 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 2kne h ARG 126 CO -0.09 0.49 0.57 1.49 -1.07 0.00 0.00 179.97 181.36 2kne h GLU 127 N 0.69 1.12 0.00 0.04 4.57 -0.93 -2.88 114.58 117.19 2kne h GLU 127 Ca 0.18 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2kne h GLU 127 Cb -0.01 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.33 2kne h GLU 127 CO -0.03 0.74 -1.13 0.00 -1.18 0.00 0.00 179.01 177.41 2kne n ALA 128 N -2.34 2.49 -2.22 2.92 0.00 -1.02 -4.77 120.51 115.58 2kne n ALA 128 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 2kne n ALA 128 Cb 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 2kne n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kne s ASP 129 N -5.32 5.59 0.35 0.00 2.15 -0.21 -4.76 116.67 114.47 2kne s ASP 129 Ca -0.01 -1.02 0.27 0.00 0.43 0.00 0.00 52.55 52.21 2kne s ASP 129 Cb 0.10 -2.57 1.11 0.00 -0.30 0.00 0.00 42.92 41.26 2kne s ASP 129 CO 0.80 -2.36 1.80 0.40 -0.17 0.00 0.00 175.17 175.65 2kne h ILE 130 N 7.00 0.00 -3.81 4.11 2.04 -1.86 -3.43 117.51 121.57 2kne h ILE 130 Ca 0.15 -0.32 -0.20 0.00 1.00 0.00 0.00 64.86 65.49 2kne h ILE 130 Cb 1.00 1.14 -0.25 0.00 -0.74 0.00 0.00 36.82 37.97 2kne h ILE 130 CO 1.28 0.00 -0.69 1.51 0.00 0.00 0.00 178.15 180.25 2kne s ASP 131 N -4.70 0.10 -0.22 1.72 -4.77 -1.26 -5.05 116.67 102.48 2kne s ASP 131 Ca 0.03 -0.21 -0.04 0.00 -3.30 0.00 0.00 52.55 49.03 2kne s ASP 131 Cb 0.09 0.07 -0.14 0.00 -1.09 0.00 0.00 42.92 41.85 2kne s ASP 131 CO 0.44 -0.15 2.37 0.61 0.70 0.00 0.00 175.17 179.14 2kne n GLY 132 N 2.35 2.45 0.06 2.12 0.00 -1.26 -4.18 105.19 106.73 2kne n GLY 132 Ca -0.18 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 3.00 0.69 0.00 1.61 5.75 -1.26 -4.95 116.55 121.40 2kne n ASP 133 Ca 0.31 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 2kne n ASP 133 Cb 0.47 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 1.46 0.71 3.11 6.12 0.00 -1.26 -5.00 105.19 110.34 2kne n GLY 134 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.21 0.68 -0.28 1.61 -0.21 -1.26 -4.74 119.66 115.24 2kne s GLN 135 Ca 0.00 -1.05 -0.10 0.00 0.02 0.00 0.00 55.36 54.22 2kne s GLN 135 Cb 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 2kne s GLN 135 CO 0.00 0.01 0.17 0.08 -2.12 0.00 0.00 175.29 173.43 2kne s VAL 136 N -2.56 5.05 0.82 1.09 1.01 -1.04 -4.87 120.40 119.90 2kne s VAL 136 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2kne s VAL 136 Cb -0.02 -3.44 0.14 0.00 0.00 0.00 0.00 36.38 33.06 2kne s VAL 136 CO -0.02 0.22 1.15 0.20 0.00 0.00 0.00 175.10 176.64 2kne s ASN 137 N 1.71 3.95 0.21 3.32 0.01 -1.26 -1.46 114.94 121.43 2kne s ASN 137 Ca 0.07 0.15 -0.09 0.00 -0.71 0.00 0.00 52.86 52.28 2kne s ASN 137 Cb -0.16 -0.46 0.17 0.00 0.41 0.00 0.00 41.25 41.21 2kne s ASN 137 CO 0.09 -2.17 1.83 0.22 -1.51 0.00 0.00 177.10 175.56 2kne h TYR 138 N -1.04 1.11 -0.45 2.20 3.20 -1.98 -1.22 116.97 118.78 2kne h TYR 138 Ca -0.42 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.27 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.45 0.78 0.25 0.93 -1.64 0.00 0.00 178.16 178.03 2kne h GLU 139 N 1.12 0.63 -0.52 1.82 3.07 -1.98 -1.92 114.58 116.80 2kne h GLU 139 Ca 0.28 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.99 2kne h GLU 139 Cb 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2kne h GLU 139 CO -0.04 0.50 -0.00 0.93 -1.40 0.00 0.00 179.01 179.00 2kne h GLU 140 N 0.59 0.89 -0.57 2.33 5.08 -1.80 -2.15 114.58 118.94 2kne h GLU 140 Ca 0.16 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2kne h GLU 140 Cb 0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2kne h GLU 140 CO -0.03 0.89 0.35 0.35 -1.00 0.00 0.00 179.01 179.57 2kne h PHE 141 N 0.82 0.65 -0.24 4.33 3.57 -0.83 -2.73 116.94 122.50 2kne h PHE 141 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2kne h PHE 141 Cb 0.49 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2kne h PHE 141 CO 0.03 0.37 0.01 0.28 -2.23 0.00 0.00 178.31 176.76 2kne h VAL 142 N 0.68 1.25 -0.81 1.41 2.07 -1.15 -2.26 116.25 117.44 2kne h VAL 142 Ca 0.23 -0.88 0.19 0.00 0.82 0.00 0.00 66.70 67.06 2kne h VAL 142 Cb 0.03 1.35 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 2kne h VAL 142 CO -0.10 0.27 0.26 -0.61 0.02 0.00 0.00 177.57 177.41 2kne h GLN 143 N 0.20 0.30 -0.01 1.57 4.15 -1.10 -0.43 115.11 119.80 2kne h GLN 143 Ca 0.07 -0.02 -0.23 0.00 0.77 0.00 0.00 58.65 59.24 2kne h GLN 143 Cb 0.40 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.02 2kne h GLN 143 CO 0.01 0.20 -0.94 0.52 -1.93 0.00 0.00 178.83 176.69 2kne h MET 144 N 0.31 0.46 0.07 1.69 2.86 -1.37 -3.23 114.93 115.73 2kne h MET 144 Ca 0.48 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kne h MET 144 Cb 0.87 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2kne h MET 144 CO -0.54 1.14 -0.03 0.52 1.06 0.00 0.00 176.91 179.06 2kne h MET 145 N 0.27 -0.09 0.00 1.72 2.86 -0.71 -3.44 114.93 115.54 2kne h MET 145 Ca -0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2kne h MET 145 Cb 1.58 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.26 2kne h MET 145 CO 0.17 0.21 0.00 2.41 1.06 0.00 0.00 176.91 180.76 2kne n THR 146 N -4.99 0.00 -3.53 2.22 -1.04 -0.26 -5.02 114.28 101.66 2kne n THR 146 Ca -0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 2kne n THR 146 Cb 0.19 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.63 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne s ALA 147 N -3.72 3.70 -2.20 2.41 0.00 -1.25 -5.00 121.76 115.71 2kne s ALA 147 Ca 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 51.96 51.99 2kne s ALA 147 Cb 0.00 -2.36 1.57 0.00 0.00 0.00 0.00 23.12 22.33 2kne s ALA 147 CO 0.00 0.46 2.04 1.17 0.00 0.00 0.00 175.76 179.42