#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 -4.69 0.00 8.00 -1.26 -4.25 116.55 114.35 2kne n ASP 2 Ca 0.00 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 2kne n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.97 4.43 0.00 -1.24 -0.21 -1.26 -4.19 119.66 116.22 2kne s GLN 3 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 55.36 56.89 2kne s GLN 3 Cb 0.00 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.50 2kne s GLN 3 CO 0.00 -0.29 0.00 1.28 -2.12 0.00 0.00 175.29 174.16 2kne n LEU 4 N 4.72 0.00 -4.75 2.90 4.77 -1.26 -5.14 117.00 118.24 2kne n LEU 4 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 2kne n LEU 4 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2kne n LEU 4 CO 0.53 0.00 0.78 -0.89 -1.33 0.00 0.00 177.39 176.48 2kne s THR 5 N 0.00 3.62 0.14 -5.08 2.01 -1.26 -4.94 115.64 110.14 2kne s THR 5 Ca 0.00 1.59 -0.28 0.00 0.31 0.00 0.00 61.69 63.31 2kne s THR 5 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2kne s THR 5 CO 0.00 0.36 1.58 -0.08 -0.69 0.00 0.00 174.62 175.79 2kne h GLU 6 N 4.08 -0.38 -0.88 4.92 4.22 -2.00 -1.02 114.58 123.52 2kne h GLU 6 Ca -0.46 0.03 0.33 0.00 0.08 0.00 0.00 59.36 59.34 2kne h GLU 6 Cb 1.21 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.43 2kne h GLU 6 CO 0.68 -0.25 0.53 -1.91 -2.18 0.00 0.00 179.01 175.88 2kne n GLU 7 N -5.42 -0.03 -0.05 1.92 2.13 -1.26 0.27 120.64 118.19 2kne n GLU 7 Ca -0.02 0.96 -0.09 0.00 0.66 0.00 0.00 57.16 58.67 2kne n GLU 7 Cb 0.35 -1.81 0.07 0.00 0.27 0.00 0.00 31.44 30.32 2kne n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2kne h GLN 8 N 0.00 0.69 -0.35 5.31 4.20 -1.56 -1.75 115.11 121.65 2kne h GLN 8 Ca 0.64 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 59.04 2kne h GLN 8 Cb 1.88 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.63 2kne h GLN 8 CO -0.44 0.95 0.13 0.82 -0.67 0.00 0.00 178.83 179.62 2kne h ILE 9 N 0.57 0.92 -0.44 2.54 2.04 0.37 0.15 117.51 123.65 2kne h ILE 9 Ca 0.05 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2kne h ILE 9 Cb 0.90 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 2kne h ILE 9 CO 0.08 0.05 -0.10 0.00 0.00 0.00 0.00 178.15 178.18 2kne h ALA 10 N 1.21 0.30 -0.28 1.87 0.00 -1.12 0.36 119.26 121.61 2kne h ALA 10 Ca 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2kne h ALA 10 Cb 0.12 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kne h ALA 10 CO -0.15 -0.44 0.15 0.93 0.00 0.00 0.00 179.25 179.74 2kne h GLU 11 N 0.01 0.40 -0.91 0.00 4.39 -0.52 -2.94 114.58 115.01 2kne h GLU 11 Ca 0.21 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.88 2kne h GLU 11 Cb 0.32 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 2kne h GLU 11 CO -0.45 0.35 0.60 0.74 -1.16 0.00 0.00 179.01 179.10 2kne h PHE 12 N 0.34 1.14 -0.04 4.33 0.04 -0.42 -2.87 116.94 119.45 2kne h PHE 12 Ca 0.10 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.93 2kne h PHE 12 Cb 0.07 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 37.78 2kne h PHE 12 CO -0.03 0.71 -0.39 -0.22 -0.60 0.00 0.00 178.31 177.78 2kne h LYS 13 N 1.22 -0.50 -0.73 1.51 3.64 -0.76 -0.92 116.57 120.03 2kne h LYS 13 Ca 0.34 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.90 2kne h LYS 13 Cb -0.12 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.71 2kne h LYS 13 CO -0.08 -0.33 0.23 0.93 -2.27 0.00 0.00 179.45 177.93 2kne h GLU 14 N -0.51 0.33 -0.95 1.90 5.08 -1.49 0.09 114.58 119.03 2kne h GLU 14 Ca 0.06 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 14 Cb 0.62 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2kne h GLU 14 CO -0.33 0.22 0.60 0.00 -1.00 0.00 0.00 179.01 178.51 2kne h ALA 15 N 1.57 1.67 -0.96 3.43 0.00 -1.04 -2.25 119.26 121.68 2kne h ALA 15 Ca 0.41 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2kne h ALA 15 Cb 0.66 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2kne h ALA 15 CO -0.45 0.08 0.62 0.74 0.00 0.00 0.00 179.25 180.24 2kne h PHE 16 N 0.85 1.15 0.00 0.00 -1.00 -0.14 -0.89 116.94 116.92 2kne h PHE 16 Ca 0.48 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.29 2kne h PHE 16 Cb 0.61 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2kne h PHE 16 CO -0.00 0.62 0.00 0.77 -1.61 0.00 0.00 178.31 178.09 2kne h SER 17 N 1.15 0.00 -0.61 2.17 0.02 -1.41 -2.36 113.55 112.51 2kne h SER 17 Ca 0.40 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 2kne h SER 17 Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2kne h SER 17 CO -0.15 0.00 0.10 -0.07 -1.14 0.00 0.00 176.83 175.56 2kne h LEU 18 N 0.00 0.97 0.00 5.07 3.38 -1.19 -3.28 115.31 120.25 2kne h LEU 18 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kne h LEU 18 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kne h LEU 18 CO 0.00 0.98 -1.14 2.22 0.09 0.00 0.00 178.44 180.60 2kne n PHE 19 N -4.29 0.00 -2.30 1.13 1.16 -1.13 -4.86 117.46 107.17 2kne n PHE 19 Ca 0.03 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.25 2kne n PHE 19 Cb 0.28 -0.15 -0.04 0.00 -1.61 0.00 0.00 39.48 37.96 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 -3.00 5.78 -0.00 5.98 1.01 -0.90 -4.83 116.67 120.70 2kne s ASP 20 Ca 0.01 -0.62 -0.25 0.00 0.71 0.00 0.00 52.55 52.40 2kne s ASP 20 Cb 0.11 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 2kne s ASP 20 CO 0.62 -2.12 1.28 0.50 0.21 0.00 0.00 175.17 175.67 2kne h LYS 21 N 11.40 -0.15 -0.63 8.23 3.11 -1.89 -3.28 116.57 133.37 2kne h LYS 21 Ca -0.04 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2kne h LYS 21 Cb 1.05 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 2kne h LYS 21 CO 1.29 0.22 0.00 -0.40 -2.81 0.00 0.00 179.45 177.75 2kne n ASP 22 N -4.98 4.91 -4.06 4.20 5.68 -1.26 -4.97 116.55 116.07 2kne n ASP 22 Ca -0.09 -2.54 -0.30 0.00 -0.50 0.00 0.00 54.79 51.37 2kne n ASP 22 Cb 0.23 -0.59 -0.07 0.00 -1.14 0.00 0.00 41.12 39.55 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 0.99 -0.22 0.18 6.12 0.00 -1.24 -4.79 105.19 106.23 2kne n GLY 23 Ca 0.26 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.29 0.80 0.00 1.61 5.68 -1.26 -4.91 116.55 116.17 2kne n ASP 24 Ca -0.25 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 2kne n ASP 24 Cb 0.58 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 25 N 1.34 0.77 3.09 6.12 0.00 -1.26 -5.03 105.19 110.21 2kne n GLY 25 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2kne n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kne s THR 26 N -2.87 0.18 -0.20 2.61 -1.32 -1.26 -4.76 115.64 108.02 2kne s THR 26 Ca 0.00 -1.50 -0.20 0.00 -1.21 0.00 0.00 61.69 58.79 2kne s THR 26 Cb 0.00 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.75 2kne s THR 26 CO 0.00 -0.83 0.57 -0.63 -2.21 0.00 0.00 174.62 171.52 2kne s ILE 27 N -3.32 5.07 0.28 5.08 1.09 -0.87 -4.95 121.20 123.59 2kne s ILE 27 Ca 0.01 1.06 0.09 0.00 -1.10 0.00 0.00 60.65 60.71 2kne s ILE 27 Cb 0.03 -3.89 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 2kne s ILE 27 CO -0.08 0.15 0.08 0.42 -0.10 0.00 0.00 174.94 175.41 2kne s THR 28 N 1.73 3.52 0.30 2.92 -4.23 -1.26 -2.76 115.64 115.87 2kne s THR 28 Ca 0.26 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2kne s THR 28 Cb -0.16 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.96 2kne s THR 28 CO 0.10 -0.32 1.97 0.71 -0.54 0.00 0.00 174.62 176.54 2kne h THR 29 N 1.71 1.20 0.88 3.99 1.35 -1.93 -1.87 112.91 118.25 2kne h THR 29 Ca -0.45 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 2kne h THR 29 Cb 1.25 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2kne h THR 29 CO 0.61 0.20 -0.42 0.50 -0.25 0.00 0.00 175.52 176.16 2kne h LYS 30 N 1.10 -1.14 0.00 4.72 3.64 -1.98 -2.55 116.57 120.35 2kne h LYS 30 Ca 0.30 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2kne h LYS 30 Cb -0.11 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2kne h LYS 30 CO -0.07 -0.75 -0.11 1.05 -2.27 0.00 0.00 179.45 177.29 2kne h GLU 31 N -1.25 0.00 0.50 1.90 4.11 -1.91 -2.40 114.58 115.54 2kne h GLU 31 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kne h GLU 31 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kne h GLU 31 CO 0.20 0.11 -0.24 1.25 0.07 0.00 0.00 179.01 180.40 2kne h LEU 32 N 0.00 -0.57 -1.06 3.06 5.85 -1.18 -2.94 115.31 118.46 2kne h LEU 32 Ca -0.00 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2kne h LEU 32 Cb 0.22 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2kne h LEU 32 CO 0.01 -0.35 0.63 1.23 -0.34 0.00 0.00 178.44 179.63 2kne h GLY 33 N -0.76 1.43 0.81 3.75 0.00 -1.20 -2.65 103.07 104.44 2kne h GLY 33 Ca -0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2kne h GLY 33 CO 0.11 0.37 -0.28 -0.84 0.00 0.00 0.00 176.54 175.90 2kne h THR 34 N 1.17 0.41 -0.52 4.70 2.02 -1.36 -1.21 112.91 118.12 2kne h THR 34 Ca 0.40 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.66 2kne h THR 34 Cb 0.09 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 2kne h THR 34 CO -0.14 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.50 2kne h VAL 35 N -0.67 0.80 -1.00 3.16 2.07 -1.31 -0.73 116.25 118.57 2kne h VAL 35 Ca -0.04 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2kne h VAL 35 Cb 0.57 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2kne h VAL 35 CO 0.01 0.06 0.65 -0.03 0.02 0.00 0.00 177.57 178.29 2kne h MET 36 N 0.35 1.18 -0.93 1.57 -1.53 -1.26 -0.47 114.93 113.84 2kne h MET 36 Ca 0.26 -0.07 0.23 0.00 -3.44 0.00 0.00 59.70 56.68 2kne h MET 36 Cb 0.30 -0.27 -0.06 0.00 -0.55 0.00 0.00 31.60 31.02 2kne h MET 36 CO -0.27 0.78 0.63 -0.09 0.14 0.00 0.00 176.91 178.10 2kne h ARG 37 N 1.22 0.26 0.00 0.39 2.43 0.12 0.72 114.38 119.52 2kne h ARG 37 Ca 0.41 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2kne h ARG 37 Cb 0.08 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kne h ARG 37 CO -0.15 0.17 -0.00 0.66 -1.51 0.00 0.00 179.97 179.15 2kne h SER 38 N 0.27 0.00 0.00 -3.80 4.64 -0.89 -1.37 113.55 112.41 2kne h SER 38 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2kne h SER 38 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2kne h SER 38 CO -0.14 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.00 2kne n LEU 39 N -3.09 0.00 0.00 5.97 7.99 0.25 -4.78 117.00 123.34 2kne n LEU 39 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2kne n LEU 39 Cb 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2kne n LEU 39 CO 0.23 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 2kne n GLY 40 N 0.53 0.57 3.38 -0.72 0.00 -0.52 -5.07 105.19 103.37 2kne n GLY 40 Ca 0.13 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 2kne n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kne s GLN 41 N -3.11 1.54 -0.53 1.61 0.74 -1.22 -5.11 119.66 113.58 2kne s GLN 41 Ca 0.00 -1.85 0.05 0.00 0.05 0.00 0.00 55.36 53.61 2kne s GLN 41 Cb 0.00 -0.54 0.18 0.00 1.10 0.00 0.00 33.01 33.76 2kne s GLN 41 CO 0.00 -0.26 0.45 0.09 -0.55 0.00 0.00 175.29 175.02 2kne n ASN 42 N -0.61 1.16 -4.75 6.67 3.02 -1.26 -4.35 115.26 115.14 2kne n ASN 42 Ca -0.01 -2.79 -0.38 0.00 -0.03 0.00 0.00 54.58 51.37 2kne n ASN 42 Cb 0.66 -0.64 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2kne n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2kne s PRO 43 N -0.81 3.07 0.72 3.52 0.02 -1.26 -5.00 135.00 135.26 2kne s PRO 43 Ca 0.31 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2kne s PRO 43 Cb 0.03 -2.19 0.02 0.00 0.02 0.00 0.00 34.50 32.39 2kne s PRO 43 CO -0.17 -1.23 1.08 0.95 -0.33 0.00 0.00 177.00 177.31 2kne s THR 44 N -1.33 3.59 0.17 0.99 -4.23 -1.26 -4.95 115.64 108.62 2kne s THR 44 Ca 0.73 0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 61.62 2kne s THR 44 Cb -0.39 -3.40 0.06 0.00 1.34 0.00 0.00 72.50 70.10 2kne s THR 44 CO 0.46 -0.68 1.81 -0.08 -0.54 0.00 0.00 174.62 175.59 2kne h GLU 45 N -0.75 0.58 -0.23 3.99 4.81 -2.03 -1.65 114.58 119.30 2kne h GLU 45 Ca -0.45 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2kne h GLU 45 Cb 1.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2kne h GLU 45 CO 0.61 0.38 0.30 0.00 -0.73 0.00 0.00 179.01 179.57 2kne h ALA 46 N 1.21 1.82 -0.64 2.92 0.00 -2.01 -0.38 119.26 122.17 2kne h ALA 46 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2kne h ALA 46 Cb -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2kne h ALA 46 CO -0.08 -0.41 0.06 1.49 0.00 0.00 0.00 179.25 180.31 2kne h GLU 47 N 0.00 1.09 -0.87 0.00 4.57 -1.66 -1.53 114.58 116.18 2kne h GLU 47 Ca 0.11 -0.32 0.08 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 47 Cb 0.70 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.10 2kne h GLU 47 CO -0.00 1.03 0.53 -0.07 -1.18 0.00 0.00 179.01 179.31 2kne h LEU 48 N 1.01 0.80 0.23 1.64 4.07 -1.14 -1.54 115.31 120.37 2kne h LEU 48 Ca 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 2kne h LEU 48 Cb 0.50 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2kne h LEU 48 CO 0.02 0.48 -0.11 -0.61 -1.08 0.00 0.00 178.44 177.14 2kne h GLN 49 N 0.92 -0.30 -0.20 1.13 5.75 -1.52 -2.86 115.11 118.05 2kne h GLN 49 Ca 0.40 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.96 2kne h GLN 49 Cb 0.28 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 2kne h GLN 49 CO -0.21 0.05 -0.06 0.22 -2.65 0.00 0.00 178.83 176.18 2kne h ASP 50 N -0.93 -0.22 0.05 -0.69 3.58 -1.22 -1.25 116.42 115.73 2kne h ASP 50 Ca -0.03 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kne h ASP 50 Cb 0.49 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2kne h ASP 50 CO 0.05 -0.08 -0.02 0.24 -2.88 0.00 0.00 179.24 176.54 2kne h MET 51 N -0.02 -0.06 -0.55 0.28 2.86 -1.43 -2.98 114.93 113.02 2kne h MET 51 Ca 0.10 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2kne h MET 51 Cb 0.17 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2kne h MET 51 CO -0.21 0.15 0.31 0.82 1.06 0.00 0.00 176.91 179.03 2kne h ILE 52 N -0.27 1.00 -0.70 -1.22 1.08 -1.43 -1.97 117.51 113.99 2kne h ILE 52 Ca -0.01 -0.20 0.12 0.00 -0.39 0.00 0.00 64.86 64.38 2kne h ILE 52 Cb 0.24 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2kne h ILE 52 CO 0.01 0.11 0.47 0.78 -0.69 0.00 0.00 178.15 178.83 2kne h ASN 53 N 0.59 0.43 -0.51 1.72 2.35 -1.17 0.46 115.58 119.45 2kne h ASN 53 Ca 0.24 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2kne h ASN 53 Cb 0.10 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2kne h ASN 53 CO -0.14 0.24 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.73 2kne h GLU 54 N 0.47 0.96 0.00 0.81 4.81 -1.20 -3.13 114.58 117.29 2kne h GLU 54 Ca 0.33 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2kne h GLU 54 Cb 0.66 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2kne h GLU 54 CO -0.11 1.01 -0.73 0.28 -0.73 0.00 0.00 179.01 178.74 2kne h VAL 55 N 0.82 0.19 -0.93 0.32 2.07 -1.34 -3.43 116.25 113.95 2kne h VAL 55 Ca 0.14 -1.31 -0.63 0.00 0.82 0.00 0.00 66.70 65.71 2kne h VAL 55 Cb 0.63 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 2kne h VAL 55 CO 0.04 0.11 1.89 -0.62 0.02 0.00 0.00 177.57 179.01 2kne s ASP 56 N -5.80 6.62 0.32 0.57 2.15 0.10 -4.83 116.67 115.79 2kne s ASP 56 Ca 0.02 -2.04 -0.00 0.00 0.43 0.00 0.00 52.55 50.96 2kne s ASP 56 Cb 0.08 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.64 2kne s ASP 56 CO 0.75 -1.39 1.98 0.00 -0.17 0.00 0.00 175.17 176.35 2kne h ALA 57 N 8.50 1.46 -0.01 3.66 0.00 -1.84 -2.43 119.26 128.61 2kne h ALA 57 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kne h ALA 57 Cb 0.92 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kne h ALA 57 CO 1.44 0.50 -0.07 -0.40 0.00 0.00 0.00 179.25 180.71 2kne n ASP 58 N -4.42 0.72 -1.77 0.00 5.75 -1.26 -4.92 116.55 110.64 2kne n ASP 58 Ca 0.08 -0.95 -0.20 0.00 -0.01 0.00 0.00 54.79 53.71 2kne n ASP 58 Cb 0.04 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.20 1.21 0.37 6.12 0.00 -0.91 -4.85 105.19 108.33 2kne n GLY 59 Ca 0.17 -0.04 0.11 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 -1.44 1.12 0.00 1.61 6.94 -1.26 -4.90 115.26 117.33 2kne n ASN 60 Ca -0.21 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 2kne n ASN 60 Cb 0.67 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.03 0.84 3.42 4.83 0.00 -1.26 -5.00 105.19 109.04 2kne n GLY 61 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.03 -0.17 2.61 -4.23 -1.26 -4.73 115.64 104.62 2kne s THR 62 Ca 0.00 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2kne s THR 62 Cb 0.00 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 2kne s THR 62 CO 0.00 -0.13 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.28 2kne s ILE 63 N -4.01 3.71 0.44 2.99 -1.09 -1.11 -4.80 121.20 117.33 2kne s ILE 63 Ca 0.22 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.30 2kne s ILE 63 Cb 0.02 -2.64 0.06 0.00 -1.58 0.00 0.00 42.46 38.33 2kne s ILE 63 CO 0.05 0.47 0.53 0.47 -1.23 0.00 0.00 174.94 175.24 2kne n ASP 64 N 3.87 1.80 -0.14 3.58 8.00 -1.26 -2.04 116.55 130.36 2kne n ASP 64 Ca -0.18 -2.24 -0.06 0.00 0.71 0.00 0.00 54.79 53.02 2kne n ASP 64 Cb 0.52 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.22 0.42 0.05 1.24 3.04 -1.99 -1.81 116.94 118.11 2kne h PHE 65 Ca -0.22 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.76 2kne h PHE 65 Cb 0.96 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 2kne h PHE 65 CO 0.00 0.23 -0.16 -1.35 -2.02 0.00 0.00 178.31 175.00 2kne h PRO 66 N 0.46 -0.29 0.00 6.41 0.11 -2.01 -0.19 132.00 136.50 2kne h PRO 66 Ca 0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2kne h PRO 66 Cb 0.06 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2kne h PRO 66 CO -0.11 -0.19 0.00 0.93 -0.21 0.00 0.00 178.00 178.42 2kne h GLU 67 N -0.30 0.00 0.15 1.05 5.08 -1.91 -2.80 114.58 115.84 2kne h GLU 67 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2kne h GLU 67 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kne h GLU 67 CO -0.12 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.17 2kne h PHE 68 N 0.00 -0.19 -0.41 4.33 3.57 -0.17 -3.31 116.94 120.77 2kne h PHE 68 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2kne h PHE 68 Cb 0.06 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2kne h PHE 68 CO 0.00 -0.04 0.13 -0.07 -2.23 0.00 0.00 178.31 176.10 2kne h LEU 69 N -1.04 0.12 -0.89 0.59 3.38 -1.10 -1.55 115.31 114.83 2kne h LEU 69 Ca -0.02 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2kne h LEU 69 Cb 0.23 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 2kne h LEU 69 CO 0.03 0.10 0.31 0.00 0.09 0.00 0.00 178.44 178.98 2kne h THR 70 N 0.28 0.37 -0.13 0.22 1.03 -1.67 -1.23 112.91 111.79 2kne h THR 70 Ca 0.19 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 66.47 2kne h THR 70 Cb 0.19 0.07 -0.00 0.00 -1.07 0.00 0.00 68.15 67.33 2kne h THR 70 CO -0.21 0.05 -0.02 0.24 -0.01 0.00 0.00 175.52 175.58 2kne h MET 71 N 0.28 0.24 -0.82 0.00 2.86 -1.38 -3.06 114.93 113.05 2kne h MET 71 Ca 0.56 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 58.10 2kne h MET 71 Cb 1.13 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 2kne h MET 71 CO -0.60 0.51 0.42 0.52 1.06 0.00 0.00 176.91 178.81 2kne h MET 72 N -0.06 1.16 -0.29 1.72 2.07 -0.87 0.37 114.93 119.03 2kne h MET 72 Ca 0.03 -0.16 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 2kne h MET 72 Cb 0.41 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 2kne h MET 72 CO 0.01 0.88 -0.04 0.00 1.07 0.00 0.00 176.91 178.83 2kne h ALA 73 N 1.22 1.39 0.00 6.32 0.00 -1.35 -2.77 119.26 124.07 2kne h ALA 73 Ca 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kne h ALA 73 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kne h ALA 73 CO -0.04 0.42 -1.25 -2.13 0.00 0.00 0.00 179.25 176.25 2kne n ARG 74 N -4.27 0.62 -1.61 0.00 0.63 -1.04 -4.54 116.66 106.45 2kne n ARG 74 Ca 0.01 0.07 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2kne n ARG 74 Cb 0.25 -1.77 -0.01 0.00 0.45 0.00 0.00 32.46 31.39 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kne n LYS 75 N -2.63 2.97 -0.44 -0.14 3.00 0.13 -4.45 118.16 116.60 2kne n LYS 75 Ca -0.02 -2.48 0.08 0.00 -0.00 0.00 0.00 58.31 55.89 2kne n LYS 75 Cb 0.59 -3.17 0.26 0.00 0.00 0.00 0.00 35.03 32.72 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 5.59 3.23 -1.58 1.64 2.81 -1.26 -4.92 117.12 122.63 2kne n MET 76 Ca 0.57 -2.65 -0.50 0.00 -1.81 0.00 0.00 57.70 53.32 2kne n MET 76 Cb 0.35 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.24 1.16 -3.00 0.03 4.81 -1.26 -4.90 118.16 115.24 2kne n LYS 77 Ca 0.20 0.41 -0.43 0.00 -0.87 0.00 0.00 58.31 57.62 2kne n LYS 77 Cb 0.78 -1.96 -0.05 0.00 0.02 0.00 0.00 35.03 33.81 2kne n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kne s ASP 78 N 0.16 6.33 -0.26 3.14 1.01 -1.26 -5.02 116.67 120.76 2kne s ASP 78 Ca 0.77 -0.43 -0.17 0.00 0.71 0.00 0.00 52.55 53.44 2kne s ASP 78 Cb -0.89 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 40.65 2kne s ASP 78 CO 0.50 -0.98 0.46 -0.89 0.21 0.00 0.00 175.17 174.47 2kne s THR 79 N 3.24 5.11 -0.29 -1.27 2.01 -1.26 -5.02 115.64 118.16 2kne s THR 79 Ca 0.25 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 2kne s THR 79 Cb -0.14 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2kne s THR 79 CO 0.18 0.12 1.67 -1.81 -0.69 0.00 0.00 174.62 174.10 2kne s ASP 80 N 1.54 6.16 0.55 3.53 1.01 -1.26 -4.80 116.67 123.39 2kne s ASP 80 Ca 0.19 1.37 0.04 0.00 0.71 0.00 0.00 52.55 54.86 2kne s ASP 80 Cb -0.16 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.37 2kne s ASP 80 CO 0.09 -1.48 0.89 -1.20 0.21 0.00 0.00 175.17 173.68 2kne n SER 81 N 9.31 0.00 -0.08 0.27 7.64 -1.26 1.00 113.62 130.50 2kne n SER 81 Ca 0.20 0.46 -0.08 0.00 1.01 0.00 0.00 58.87 60.46 2kne n SER 81 Cb 0.46 -0.04 0.08 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.75 -1.05 1.43 4.39 -2.01 -3.07 114.58 115.03 2kne h GLU 82 Ca 0.07 -0.33 0.27 0.00 0.34 0.00 0.00 59.36 59.72 2kne h GLU 82 Cb 1.83 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 30.36 2kne h GLU 82 CO -0.00 0.94 0.68 1.49 -1.16 0.00 0.00 179.01 180.95 2kne h GLU 83 N 0.65 0.37 0.00 2.33 4.81 0.27 0.32 114.58 123.33 2kne h GLU 83 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kne h GLU 83 Cb 0.79 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2kne h GLU 83 CO 0.06 0.24 -0.67 1.49 -0.73 0.00 0.00 179.01 179.41 2kne h GLU 84 N 0.38 0.00 0.00 1.92 4.81 -1.71 -3.29 114.58 116.69 2kne h GLU 84 Ca 0.61 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 2kne h GLU 84 Cb 1.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.93 2kne h GLU 84 CO -0.30 0.00 0.00 -0.89 -0.73 0.00 0.00 179.01 177.09 2kne n ILE 85 N -2.33 0.00 -0.28 2.32 2.08 0.11 -1.29 119.36 119.97 2kne n ILE 85 Ca 0.02 1.18 -0.05 0.00 0.56 0.00 0.00 62.75 64.46 2kne n ILE 85 Cb 0.47 -2.14 0.06 0.00 -0.75 0.00 0.00 39.64 37.28 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 1.08 -0.76 0.38 3.08 -1.77 -2.99 114.38 113.41 2kne h ARG 86 Ca 0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2kne h ARG 86 Cb 0.00 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 2kne h ARG 86 CO 0.00 0.82 0.40 0.93 -1.07 0.00 0.00 179.97 181.05 2kne h GLU 87 N 1.07 1.07 0.00 0.04 5.08 -1.67 -1.61 114.58 118.56 2kne h GLU 87 Ca 0.27 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 87 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2kne h GLU 87 CO -0.04 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 2kne h ALA 88 N 1.20 1.00 0.03 3.43 0.00 -1.04 -2.37 119.26 121.51 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kne h ALA 88 CO -0.04 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 179.55 2kne h PHE 89 N 0.00 -0.03 -0.85 0.00 3.57 -1.28 -2.99 116.94 115.36 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 0.05 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2kne h PHE 89 CO 0.00 0.57 0.49 0.00 -2.23 0.00 0.00 178.31 177.14 2kne h ARG 90 N -0.67 0.78 -0.39 1.11 3.08 -1.45 0.29 114.38 117.13 2kne h ARG 90 Ca -0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2kne h ARG 90 Cb 0.62 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2kne h ARG 90 CO 0.01 0.52 0.07 0.28 -1.07 0.00 0.00 179.97 179.77 2kne h VAL 91 N 0.81 1.24 -0.33 2.04 2.07 -1.63 -3.05 116.25 117.40 2kne h VAL 91 Ca 0.41 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 2kne h VAL 91 Cb 0.39 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2kne h VAL 91 CO -0.26 0.29 -0.37 -0.26 0.02 0.00 0.00 177.57 177.00 2kne h PHE 92 N 0.48 0.89 -1.72 1.57 -1.00 -1.22 -3.31 116.94 112.64 2kne h PHE 92 Ca 0.12 -0.25 -0.71 0.00 2.81 0.00 0.00 57.97 59.93 2kne h PHE 92 Cb 0.36 -0.19 -0.14 0.00 3.61 0.00 0.00 35.95 39.58 2kne h PHE 92 CO 0.02 1.01 1.62 0.34 -1.61 0.00 0.00 178.31 179.69 2kne s ASP 93 N -6.83 6.97 0.13 2.17 -1.08 0.96 -4.59 116.67 114.40 2kne s ASP 93 Ca -0.09 -2.74 -0.19 0.00 -0.52 0.00 0.00 52.55 49.00 2kne s ASP 93 Cb 0.12 -2.46 -0.03 0.00 -1.46 0.00 0.00 42.92 39.08 2kne s ASP 93 CO 0.85 -0.92 1.74 0.50 0.52 0.00 0.00 175.17 177.86 2kne h LYS 94 N 7.42 0.13 -0.21 4.34 3.64 -1.70 -2.51 116.57 127.69 2kne h LYS 94 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 94 Cb 0.88 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2kne h LYS 94 CO 1.31 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 178.18 2kne n ASP 95 N -5.08 1.85 -3.88 4.20 5.68 -1.26 -4.93 116.55 113.13 2kne n ASP 95 Ca -0.02 -1.76 -0.26 0.00 -0.50 0.00 0.00 54.79 52.24 2kne n ASP 95 Cb 0.09 -0.13 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 1.16 -0.32 0.64 6.12 0.00 -0.95 -4.84 105.19 107.01 2kne n GLY 96 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.95 1.90 0.00 1.61 0.23 -1.26 -4.88 115.26 109.90 2kne n ASN 97 Ca -0.20 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 2kne n ASN 97 Cb 0.63 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 1.13 0.83 3.03 4.83 0.00 -1.26 -5.02 105.19 108.74 2kne n GLY 98 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.25 0.32 -0.32 1.61 1.51 -1.26 -4.60 117.35 111.35 2kne s TYR 99 Ca 0.00 -0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 55.22 2kne s TYR 99 Cb 0.00 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2kne s TYR 99 CO 0.00 -0.27 0.51 0.42 -1.11 0.00 0.00 175.55 175.10 2kne s ILE 100 N -2.29 5.03 0.24 2.71 1.01 -0.73 -4.67 121.20 122.50 2kne s ILE 100 Ca -0.08 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2kne s ILE 100 Cb -0.04 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 2kne s ILE 100 CO -0.04 -0.13 0.59 -0.44 0.00 0.00 0.00 174.94 174.92 2kne s SER 101 N 1.71 6.69 0.17 3.58 0.01 -1.26 -2.74 113.70 121.85 2kne s SER 101 Ca 0.19 1.02 -0.14 0.00 1.31 0.00 0.00 55.95 58.33 2kne s SER 101 Cb -0.15 -2.27 0.12 0.00 0.21 0.00 0.00 66.02 63.93 2kne s SER 101 CO 0.12 -0.08 1.75 0.00 0.41 0.00 0.00 173.24 175.45 2kne h ALA 102 N 2.62 0.53 -0.95 1.44 0.00 -1.97 -1.52 119.26 119.41 2kne h ALA 102 Ca -0.47 0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.63 2kne h ALA 102 Cb 1.17 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2kne h ALA 102 CO 0.68 -0.22 0.57 0.00 0.00 0.00 0.00 179.25 180.28 2kne h ALA 103 N 1.29 1.48 -0.59 0.00 0.00 -2.00 -0.21 119.26 119.22 2kne h ALA 103 Ca 0.21 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2kne h ALA 103 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kne h ALA 103 CO -0.20 0.07 0.10 0.93 0.00 0.00 0.00 179.25 180.15 2kne h GLU 104 N 0.83 0.97 -0.33 0.00 5.08 -1.62 -3.04 114.58 116.47 2kne h GLU 104 Ca 0.50 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 104 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2kne h GLU 104 CO -0.32 0.92 0.11 1.25 -1.00 0.00 0.00 179.01 179.97 2kne h LEU 105 N 0.87 0.47 -0.93 1.33 5.85 -0.28 -3.05 115.31 119.58 2kne h LEU 105 Ca 0.18 -0.19 0.27 0.00 0.84 0.00 0.00 57.88 58.98 2kne h LEU 105 Cb 0.41 -0.12 -0.16 0.00 0.37 0.00 0.00 40.66 41.16 2kne h LEU 105 CO 0.01 0.54 0.22 -0.09 -0.34 0.00 0.00 178.44 178.78 2kne h ARG 106 N 0.38 0.12 0.00 1.25 2.43 -1.02 1.04 114.38 118.58 2kne h ARG 106 Ca 0.11 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2kne h ARG 106 Cb 0.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2kne h ARG 106 CO -0.01 0.08 -0.21 1.25 -1.51 0.00 0.00 179.97 179.57 2kne h HIS 107 N 0.12 0.00 -0.84 2.20 2.76 -1.57 -2.89 115.15 114.93 2kne h HIS 107 Ca 0.61 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.82 2kne h HIS 107 Cb 1.31 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.21 2kne h HIS 107 CO -0.30 0.21 0.53 0.28 -1.30 0.00 0.00 177.93 177.36 2kne h VAL 108 N 0.00 1.10 -0.59 5.26 2.07 0.11 -2.74 116.25 121.46 2kne h VAL 108 Ca -0.00 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.28 2kne h VAL 108 Cb 0.41 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 2kne h VAL 108 CO 0.03 0.19 0.14 0.24 0.02 0.00 0.00 177.57 178.18 2kne h MET 109 N 1.01 0.27 -0.86 1.57 2.07 -1.49 -1.20 114.93 116.29 2kne h MET 109 Ca 0.35 -0.02 0.16 0.00 -2.07 0.00 0.00 59.70 58.13 2kne h MET 109 Cb 0.07 -0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 29.67 2kne h MET 109 CO -0.14 0.18 0.56 1.79 1.07 0.00 0.00 176.91 180.37 2kne h THR 110 N 0.27 0.77 -0.46 2.22 1.35 -1.63 0.16 112.91 115.60 2kne h THR 110 Ca 0.31 -0.19 -0.14 0.00 -0.55 0.00 0.00 66.41 65.84 2kne h THR 110 Cb 0.44 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 2kne h THR 110 CO -0.38 0.10 -0.25 -0.55 -0.25 0.00 0.00 175.52 174.19 2kne h ASN 111 N 0.54 1.02 1.27 5.36 7.08 -1.26 -2.95 115.58 126.64 2kne h ASN 111 Ca 0.44 -0.40 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 2kne h ASN 111 Cb 0.89 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2kne h ASN 111 CO -0.18 1.20 -0.06 0.18 -2.08 0.00 0.00 177.43 176.50 2kne n LEU 112 N -4.10 0.57 -0.70 6.14 4.77 -0.03 -4.93 117.00 118.72 2kne n LEU 112 Ca -0.00 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 2kne n LEU 112 Cb 0.48 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2kne n LEU 112 CO 0.47 -0.11 -0.07 0.61 -1.33 0.00 0.00 177.39 176.96 2kne n GLY 113 N 1.37 0.15 0.11 -0.72 0.00 0.36 -4.94 105.19 101.51 2kne n GLY 113 Ca 0.06 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.03 0.00 -6.50 1.61 4.57 -1.78 -3.49 114.58 108.95 2kne h GLU 114 Ca -0.14 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.59 2kne h GLU 114 Cb 1.10 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2kne h GLU 114 CO 0.16 0.29 -0.91 1.63 -1.18 0.00 0.00 179.01 179.00 2kne n LYS 115 N -2.94 -1.06 -2.83 1.92 5.02 -1.26 -4.92 118.16 112.09 2kne n LYS 115 Ca -0.05 0.56 -0.34 0.00 -2.02 0.00 0.00 58.31 56.45 2kne n LYS 115 Cb 0.77 -3.25 -0.07 0.00 -0.02 0.00 0.00 35.03 32.47 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kne s LEU 116 N -5.99 4.08 0.86 -0.35 1.43 -1.26 -5.08 118.68 112.37 2kne s LEU 116 Ca 0.27 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 2kne s LEU 116 Cb -0.12 -4.33 0.14 0.00 0.03 0.00 0.00 46.19 41.91 2kne s LEU 116 CO 0.89 -0.25 1.20 0.42 0.23 0.00 0.00 176.35 178.85 2kne s THR 117 N -1.98 2.06 0.18 5.49 -4.23 -1.26 -4.85 115.64 111.05 2kne s THR 117 Ca 0.57 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 2kne s THR 117 Cb -0.12 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.84 2kne s THR 117 CO 0.17 0.00 1.78 -0.78 -0.54 0.00 0.00 174.62 175.25 2kne h ASP 118 N -1.21 0.36 -0.37 3.99 1.82 -1.99 -0.99 116.42 118.03 2kne h ASP 118 Ca -0.44 0.03 0.05 0.00 -0.39 0.00 0.00 57.03 56.28 2kne h ASP 118 Cb 1.28 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.20 2kne h ASP 118 CO 0.49 0.25 0.10 -0.33 -1.61 0.00 0.00 179.24 178.14 2kne h GLU 119 N 0.49 0.24 -0.01 0.28 5.08 -1.99 -1.48 114.58 117.18 2kne h GLU 119 Ca 0.22 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2kne h GLU 119 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2kne h GLU 119 CO -0.16 0.16 -0.60 0.93 -1.00 0.00 0.00 179.01 178.34 2kne h GLU 120 N 0.24 0.03 -0.50 2.33 4.39 -1.86 -1.09 114.58 118.12 2kne h GLU 120 Ca 0.17 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2kne h GLU 120 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2kne h GLU 120 CO -0.20 0.62 0.09 0.28 -1.16 0.00 0.00 179.01 178.64 2kne h VAL 121 N 0.02 1.25 -0.17 3.13 2.07 -0.70 -2.27 116.25 119.59 2kne h VAL 121 Ca -0.01 -0.91 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 2kne h VAL 121 Cb 1.07 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2kne h VAL 121 CO 0.08 0.33 -0.50 0.44 0.02 0.00 0.00 177.57 177.93 2kne h ASP 122 N 0.71 0.50 -0.09 0.57 3.32 -1.19 -3.26 116.42 116.98 2kne h ASP 122 Ca 0.15 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kne h ASP 122 Cb 0.38 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2kne h ASP 122 CO 0.01 0.92 0.06 -0.08 -1.72 0.00 0.00 179.24 178.42 2kne h GLU 123 N 0.36 0.12 -0.54 3.56 4.81 -0.82 -2.59 114.58 119.47 2kne h GLU 123 Ca 0.02 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2kne h GLU 123 Cb 1.01 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.28 2kne h GLU 123 CO 0.09 0.08 0.09 0.52 -0.73 0.00 0.00 179.01 179.06 2kne h MET 124 N 0.12 0.22 -0.63 1.92 2.86 -1.46 -1.42 114.93 116.54 2kne h MET 124 Ca 0.03 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2kne h MET 124 Cb -0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 2kne h MET 124 CO -0.01 0.14 0.36 0.82 1.06 0.00 0.00 176.91 179.28 2kne h ILE 125 N 0.22 1.00 -0.99 -1.22 1.08 -1.55 -2.05 117.51 114.01 2kne h ILE 125 Ca 0.28 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 2kne h ILE 125 Cb 0.40 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 2kne h ILE 125 CO -0.38 0.12 0.64 -0.09 -0.69 0.00 0.00 178.15 177.76 2kne h ARG 126 N 0.68 1.17 -0.93 2.37 2.43 -0.89 0.93 114.38 120.13 2kne h ARG 126 Ca 0.27 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2kne h ARG 126 Cb 0.12 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 2kne h ARG 126 CO -0.15 0.77 0.60 0.93 -1.51 0.00 0.00 179.97 180.61 2kne h GLU 127 N 1.21 1.10 0.00 0.20 4.39 -0.88 -2.65 114.58 117.95 2kne h GLU 127 Ca 0.41 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2kne h GLU 127 Cb 0.08 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2kne h GLU 127 CO -0.15 0.73 -1.07 0.00 -1.16 0.00 0.00 179.01 177.36 2kne n ALA 128 N -2.36 2.82 -2.25 3.43 0.00 -0.97 -4.77 120.51 116.41 2kne n ALA 128 Ca 0.13 -0.31 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 2kne n ALA 128 Cb 0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.75 5.69 0.42 0.00 2.15 0.29 -4.76 116.67 115.70 2kne s ASP 129 Ca 0.01 -1.03 0.29 0.00 0.43 0.00 0.00 52.55 52.25 2kne s ASP 129 Cb 0.12 -2.56 1.16 0.00 -0.30 0.00 0.00 42.92 41.34 2kne s ASP 129 CO 0.80 -2.26 1.86 0.40 -0.17 0.00 0.00 175.17 175.80 2kne h ILE 130 N 7.03 0.00 -3.72 4.11 2.04 -1.86 -3.43 117.51 121.67 2kne h ILE 130 Ca 0.15 -0.41 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 2kne h ILE 130 Cb 1.00 1.30 -0.24 0.00 -0.74 0.00 0.00 36.82 38.14 2kne h ILE 130 CO 1.30 0.00 -0.64 1.51 0.00 0.00 0.00 178.15 180.32 2kne s ASP 131 N -5.07 0.07 -0.23 1.72 -4.77 -1.26 -5.05 116.67 102.07 2kne s ASP 131 Ca 0.03 -0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 49.06 2kne s ASP 131 Cb 0.09 0.13 -0.14 0.00 -1.09 0.00 0.00 42.92 41.90 2kne s ASP 131 CO 0.49 -0.19 2.40 0.61 0.70 0.00 0.00 175.17 179.18 2kne n GLY 132 N 2.21 2.48 0.04 2.12 0.00 -1.26 -4.20 105.19 106.58 2kne n GLY 132 Ca -0.19 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 3.01 0.62 0.00 1.61 5.75 -1.26 -4.95 116.55 121.34 2kne n ASP 133 Ca 0.32 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 2kne n ASP 133 Cb 0.48 0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 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 1.47 0.77 3.13 6.12 0.00 -1.26 -5.00 105.19 110.43 2kne n GLY 134 Ca 0.07 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 -0.18 0.72 -0.29 1.61 -0.21 -1.26 -4.80 119.66 115.25 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 -0.37 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 2kne s GLN 135 CO 0.00 0.05 0.19 0.08 -2.12 0.00 0.00 175.29 173.49 2kne s VAL 136 N -2.31 5.18 0.82 1.09 1.01 -1.11 -4.90 120.40 120.18 2kne s VAL 136 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2kne s VAL 136 Cb -0.04 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 32.95 2kne s VAL 136 CO -0.01 0.18 1.14 0.20 0.00 0.00 0.00 175.10 176.61 2kne s ASN 137 N 1.73 4.04 0.23 3.32 0.01 -1.26 -1.77 114.94 121.25 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 -0.58 0.21 0.00 0.41 0.00 0.00 41.25 41.12 2kne s ASN 137 CO 0.10 -2.12 1.85 0.22 -1.51 0.00 0.00 177.10 175.65 2kne h TYR 138 N -1.02 1.24 -0.44 2.20 3.20 -1.99 -1.25 116.97 118.92 2kne h TYR 138 Ca -0.43 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 2kne h TYR 138 Cb 1.28 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kne h TYR 138 CO -0.35 0.86 0.19 0.93 -1.64 0.00 0.00 178.16 178.15 2kne h GLU 139 N 1.27 0.65 -0.56 1.82 5.08 -1.98 -1.64 114.58 119.22 2kne h GLU 139 Ca 0.32 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 139 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2kne h GLU 139 CO -0.05 0.58 0.02 0.93 -1.00 0.00 0.00 179.01 179.49 2kne h GLU 140 N 0.57 0.95 -0.54 2.33 5.08 -1.79 -1.68 114.58 119.49 2kne h GLU 140 Ca 0.15 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kne h GLU 140 Cb 0.17 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2kne h GLU 140 CO -0.01 0.92 0.33 0.35 -1.00 0.00 0.00 179.01 179.60 2kne h PHE 141 N 0.88 0.71 -0.22 4.33 3.57 -0.97 -2.87 116.94 122.36 2kne h PHE 141 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2kne h PHE 141 Cb 0.49 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2kne h PHE 141 CO 0.03 0.49 -0.00 0.28 -2.23 0.00 0.00 178.31 176.88 2kne h VAL 142 N 0.72 1.25 -0.77 1.41 2.07 -1.11 -2.15 116.25 117.68 2kne h VAL 142 Ca 0.19 -0.89 0.17 0.00 0.82 0.00 0.00 66.70 67.00 2kne h VAL 142 Cb -0.02 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 31.04 2kne h VAL 142 CO -0.04 0.27 0.18 -0.61 0.02 0.00 0.00 177.57 177.40 2kne h GLN 143 N 0.16 0.25 -0.06 1.57 5.75 -1.14 0.43 115.11 122.06 2kne h GLN 143 Ca 0.06 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.32 2kne h GLN 143 Cb 0.40 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.91 2kne h GLN 143 CO 0.01 0.16 -0.88 0.52 -2.65 0.00 0.00 178.83 175.99 2kne h MET 144 N 0.26 0.63 -0.07 1.69 2.86 -1.41 -3.09 114.93 115.80 2kne h MET 144 Ca 0.44 -0.59 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 2kne h MET 144 Cb 0.78 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2kne h MET 144 CO -0.54 1.20 -0.25 0.52 1.06 0.00 0.00 176.91 178.90 2kne h MET 145 N 0.39 0.29 -1.15 1.72 2.86 -0.66 -3.19 114.93 115.19 2kne h MET 145 Ca -0.08 -0.22 -0.21 0.00 -2.06 0.00 0.00 59.70 57.13 2kne h MET 145 Cb 1.51 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 33.10 2kne h MET 145 CO 0.17 0.85 0.27 2.41 1.06 0.00 0.00 176.91 181.67 2kne n THR 146 N -4.50 2.02 -3.02 2.22 -1.04 0.14 -4.81 114.28 105.30 2kne n THR 146 Ca -0.08 -0.89 -0.44 0.00 -2.04 0.00 0.00 64.05 60.60 2kne n THR 146 Cb 0.45 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 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 -1.29 3.38 0.00 2.41 0.00 -1.17 -4.95 121.76 120.14 2kne s ALA 147 Ca 0.22 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2kne s ALA 147 Cb 0.18 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2kne s ALA 147 CO 0.03 -2.62 0.00 0.36 0.00 0.00 0.00 175.76 173.54