#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn2 s PRO 2 N 0.00 3.52 -0.27 0.00 0.04 -1.26 -5.02 135.00 132.01 3kn2 s PRO 2 Ca 0.00 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 3kn2 s PRO 2 Cb 0.00 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3kn2 s PRO 2 CO 0.00 -0.43 1.38 0.42 0.04 0.00 0.00 177.00 178.41 3kn2 s ILE 3 N -2.98 4.03 0.01 0.56 1.01 -1.26 -4.99 121.20 117.58 3kn2 s ILE 3 Ca 0.52 1.17 0.04 0.00 0.00 0.00 0.00 60.65 62.38 3kn2 s ILE 3 Cb -0.11 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3kn2 s ILE 3 CO 0.49 -0.41 -0.13 0.42 0.00 0.00 0.00 174.94 175.31 3kn2 s THR 4 N 4.53 1.01 0.02 2.92 -4.23 -1.26 -4.96 115.64 113.68 3kn2 s THR 4 Ca 0.60 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3kn2 s THR 4 Cb -0.19 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 3kn2 s THR 4 CO 0.24 0.13 0.08 0.00 -0.54 0.00 0.00 174.62 174.53 3kn2 s ALA 5 N -0.57 -0.10 0.05 3.99 0.00 -1.26 -5.14 121.76 118.73 3kn2 s ALA 5 Ca 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3kn2 s ALA 5 Cb -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3kn2 s ALA 5 CO 0.00 -0.25 -0.08 1.52 0.00 0.00 0.00 175.76 176.95 3kn2 s TYR 6 N -2.00 0.72 0.14 0.00 -0.85 -1.26 -4.82 117.35 109.28 3kn2 s TYR 6 Ca -0.10 -0.51 0.07 0.00 -0.52 0.00 0.00 57.07 56.01 3kn2 s TYR 6 Cb -0.05 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 3kn2 s TYR 6 CO -0.02 -0.07 -0.04 0.00 -1.52 0.00 0.00 175.55 173.90 3kn2 s ALA 7 N -1.43 3.12 -0.09 9.51 0.00 -1.26 -4.92 121.76 126.70 3kn2 s ALA 7 Ca -0.09 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 3kn2 s ALA 7 Cb -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.10 3kn2 s ALA 7 CO 0.00 0.56 0.19 -0.65 0.00 0.00 0.00 175.76 175.87 3kn2 s GLN 8 N -2.62 0.13 0.02 0.00 -0.21 -1.26 -5.09 119.66 110.63 3kn2 s GLN 8 Ca 0.25 0.49 -0.21 0.00 0.02 0.00 0.00 55.36 55.91 3kn2 s GLN 8 Cb -0.10 -0.16 -0.06 0.00 1.00 0.00 0.00 33.01 33.69 3kn2 s GLN 8 CO 0.17 -0.20 0.62 -1.14 -2.12 0.00 0.00 175.29 172.62 3kn2 s GLN 9 N 1.48 4.33 -0.00 2.91 0.74 -1.26 -4.96 119.66 122.89 3kn2 s GLN 9 Ca -0.07 0.79 0.13 0.00 0.05 0.00 0.00 55.36 56.26 3kn2 s GLN 9 Cb -0.11 -3.32 -0.15 0.00 1.10 0.00 0.00 33.01 30.52 3kn2 s GLN 9 CO -0.07 0.41 0.52 0.25 -0.55 0.00 0.00 175.29 175.85 3kn2 n THR 10 N 2.53 0.00 -3.52 -0.34 -2.24 -1.26 -5.04 114.28 104.41 3kn2 n THR 10 Ca -0.07 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3kn2 n THR 10 Cb 0.51 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 3kn2 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kn2 s ARG 11 N -2.32 0.83 0.50 -0.78 1.70 -1.26 -5.12 118.95 112.49 3kn2 s ARG 11 Ca 0.04 -0.15 0.08 0.00 -0.47 0.00 0.00 55.73 55.23 3kn2 s ARG 11 Cb 0.10 0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.94 3kn2 s ARG 11 CO 0.54 -0.33 0.66 0.41 -1.08 0.00 0.00 175.30 175.50 3kn2 n GLY 12 N 0.10 2.04 0.36 3.88 0.00 -1.26 -4.90 105.19 105.41 3kn2 n GLY 12 Ca -0.11 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 3kn2 n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kn2 h LEU 13 N 0.00 -1.23 -0.42 0.99 5.85 -2.03 0.36 115.31 118.83 3kn2 h LEU 13 Ca -0.24 0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 3kn2 h LEU 13 Cb 1.08 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 3kn2 h LEU 13 CO 0.35 -0.32 -0.29 0.25 -0.34 0.00 0.00 178.44 178.09 3kn2 h LEU 14 N -0.22 0.99 -1.11 2.25 5.85 -2.00 -1.84 115.31 119.23 3kn2 h LEU 14 Ca 0.19 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3kn2 h LEU 14 Cb 0.56 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3kn2 h LEU 14 CO -0.62 1.21 0.34 1.23 -0.34 0.00 0.00 178.44 180.25 3kn2 h GLY 15 N 0.78 1.03 0.96 3.75 0.00 -1.85 -1.73 103.07 106.00 3kn2 h GLY 15 Ca 0.08 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 3kn2 h GLY 15 CO 0.08 0.46 -0.06 0.00 0.00 0.00 0.00 176.54 177.02 3kn2 h ILE 17 N 0.54 1.07 -0.36 0.00 2.04 -0.97 0.10 117.51 119.94 3kn2 h ILE 17 Ca 0.10 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3kn2 h ILE 17 Cb 0.56 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3kn2 h ILE 17 CO 0.03 0.06 0.14 0.40 0.00 0.00 0.00 178.15 178.78 3kn2 h ILE 18 N -0.10 0.92 -0.03 -0.67 2.04 -1.32 -1.42 117.51 116.94 3kn2 h ILE 18 Ca -0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3kn2 h ILE 18 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3kn2 h ILE 18 CO 0.00 0.05 -0.13 0.74 0.00 0.00 0.00 178.15 178.82 3kn2 h THR 19 N 0.30 1.11 -0.21 -0.27 2.02 -1.01 0.10 112.91 114.95 3kn2 h THR 19 Ca 0.16 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 3kn2 h THR 19 Cb 0.12 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3kn2 h THR 19 CO -0.15 0.15 -0.15 -1.28 0.37 0.00 0.00 175.52 174.46 3kn2 h SER 20 N 0.04 0.49 0.25 4.18 0.87 0.26 0.53 113.55 120.17 3kn2 h SER 20 Ca 0.01 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 3kn2 h SER 20 Cb 0.25 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3kn2 h SER 20 CO 0.02 0.83 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.96 3kn2 h LEU 21 N 0.16 -0.28 -0.77 2.23 4.07 -0.98 -3.23 115.31 116.51 3kn2 h LEU 21 Ca 0.04 -0.24 0.07 0.00 0.08 0.00 0.00 57.88 57.83 3kn2 h LEU 21 Cb 0.67 0.07 -0.06 0.00 1.08 0.00 0.00 40.66 42.42 3kn2 h LEU 21 CO 0.04 0.14 0.45 0.74 -1.08 0.00 0.00 178.44 178.73 3kn2 h THR 22 N -0.77 0.97 0.00 0.22 2.02 -0.85 -3.46 112.91 111.05 3kn2 h THR 22 Ca -0.03 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kn2 h THR 22 Cb 0.50 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3kn2 h THR 22 CO 0.06 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.70 3kn2 n GLY 23 N -1.31 0.43 3.16 2.16 0.00 0.19 -4.77 105.19 105.05 3kn2 n GLY 23 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3kn2 n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kn2 s ARG 24 N -0.44 2.83 -0.26 1.61 3.52 -1.24 -2.10 118.95 122.87 3kn2 s ARG 24 Ca 0.00 -0.96 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 3kn2 s ARG 24 Cb 0.00 -2.83 0.06 0.00 -1.56 0.00 0.00 34.95 30.62 3kn2 s ARG 24 CO 0.00 -0.35 -0.10 0.34 -0.81 0.00 0.00 175.30 174.38 3kn2 s ASP 25 N 1.29 4.43 0.00 -2.12 2.15 0.83 -4.82 116.67 118.42 3kn2 s ASP 25 Ca 0.01 -1.34 0.27 0.00 0.43 0.00 0.00 52.55 51.92 3kn2 s ASP 25 Cb -0.16 -1.57 0.82 0.00 -0.30 0.00 0.00 42.92 41.72 3kn2 s ASP 25 CO -0.07 -0.19 1.61 0.29 -0.17 0.00 0.00 175.17 176.64 3kn2 n LYS 26 N 4.47 1.69 -1.90 4.34 4.76 -1.26 -1.54 118.16 128.72 3kn2 n LYS 26 Ca -0.14 -1.10 -0.37 0.00 -2.87 0.00 0.00 58.31 53.82 3kn2 n LYS 26 Cb 0.43 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.18 3kn2 n LYS 26 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kn2 s ASN 27 N -2.07 5.17 0.32 4.39 0.02 -1.26 -4.98 114.94 116.53 3kn2 s ASN 27 Ca 0.34 2.56 -0.28 0.00 -1.02 0.00 0.00 52.86 54.47 3kn2 s ASN 27 Cb 0.21 -2.62 -0.09 0.00 0.02 0.00 0.00 41.25 38.77 3kn2 s ASN 27 CO 0.36 -1.62 1.05 -1.58 0.02 0.00 0.00 177.10 175.33 3kn2 s GLN 28 N -3.14 4.51 -0.03 -0.60 2.00 -1.26 -4.95 119.66 116.19 3kn2 s GLN 28 Ca 0.75 1.64 0.02 0.00 -2.00 0.00 0.00 55.36 55.78 3kn2 s GLN 28 Cb -0.35 -2.97 -0.03 0.00 0.80 0.00 0.00 33.01 30.46 3kn2 s GLN 28 CO 0.40 0.14 -0.07 0.08 -0.50 0.00 0.00 175.29 175.33 3kn2 s VAL 29 N -1.35 3.62 0.00 1.34 1.01 -1.26 -5.12 120.40 118.65 3kn2 s VAL 29 Ca 0.49 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 3kn2 s VAL 29 Cb -0.27 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kn2 s VAL 29 CO 0.34 0.49 0.40 -1.61 0.00 0.00 0.00 175.10 174.73 3kn2 s GLU 30 N -1.12 0.82 0.00 2.72 2.02 -1.26 -3.98 118.70 117.90 3kn2 s GLU 30 Ca 0.15 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.94 3kn2 s GLU 30 Cb -0.11 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3kn2 s GLU 30 CO 0.05 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.48 3kn2 n GLY 31 N 0.92 1.03 0.08 -1.39 0.00 -1.26 -4.83 105.19 99.74 3kn2 n GLY 31 Ca -0.20 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 3kn2 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kn2 n GLU 32 N 0.65 0.83 -5.00 1.61 4.71 -1.25 -0.20 120.64 121.99 3kn2 n GLU 32 Ca 0.00 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.16 56.82 3kn2 n GLU 32 Cb 0.00 -1.49 -0.16 0.00 -1.01 0.00 0.00 31.44 28.78 3kn2 n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kn2 s VAL 33 N -2.65 1.70 -0.11 2.62 1.01 -1.26 -0.68 120.40 121.02 3kn2 s VAL 33 Ca -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3kn2 s VAL 33 Cb 0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3kn2 s VAL 33 CO 0.80 0.48 -0.05 -1.10 0.00 0.00 0.00 175.10 175.22 3kn2 s GLN 34 N 0.14 3.25 -0.08 2.72 -1.52 0.05 -4.96 119.66 119.26 3kn2 s GLN 34 Ca -0.09 -0.53 -0.29 0.00 -1.95 0.00 0.00 55.36 52.50 3kn2 s GLN 34 Cb -0.14 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 29.87 3kn2 s GLN 34 CO 0.04 0.44 0.97 0.42 -0.25 0.00 0.00 175.29 176.91 3kn2 s ILE 35 N -0.19 4.83 0.11 1.08 1.01 -1.26 -1.48 121.20 125.30 3kn2 s ILE 35 Ca 0.03 1.99 0.09 0.00 0.00 0.00 0.00 60.65 62.76 3kn2 s ILE 35 Cb -0.13 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3kn2 s ILE 35 CO 0.03 0.06 -0.24 -0.69 0.00 0.00 0.00 174.94 174.10 3kn2 s VAL 36 N 1.67 1.96 0.01 2.92 1.01 0.12 -4.98 120.40 123.11 3kn2 s VAL 36 Ca 0.48 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 3kn2 s VAL 36 Cb -0.19 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3kn2 s VAL 36 CO 0.20 0.03 -0.00 -0.44 0.00 0.00 0.00 175.10 174.89 3kn2 s SER 37 N -1.93 0.17 0.00 3.32 0.01 -1.26 -0.40 113.70 113.62 3kn2 s SER 37 Ca 0.10 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3kn2 s SER 37 Cb -0.10 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3kn2 s SER 37 CO 0.05 -0.26 0.00 0.35 0.41 0.00 0.00 173.24 173.79 3kn2 n THR 38 N 1.82 0.00 0.12 1.44 -2.24 0.32 -5.00 114.28 110.74 3kn2 n THR 38 Ca -0.22 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3kn2 n THR 38 Cb 0.56 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 3kn2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kn2 h ALA 39 N 0.94 0.02 0.14 6.98 0.00 -1.98 -3.38 119.26 121.99 3kn2 h ALA 39 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 3kn2 h ALA 39 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kn2 h ALA 39 CO 0.00 0.89 -0.07 1.79 0.00 0.00 0.00 179.25 181.86 3kn2 h THR 40 N 0.10 0.74 -4.47 0.00 1.35 -1.98 -3.49 112.91 105.16 3kn2 h THR 40 Ca -0.17 -1.20 -0.27 0.00 -0.55 0.00 0.00 66.41 64.22 3kn2 h THR 40 Cb 2.03 1.30 -0.13 0.00 -1.73 0.00 0.00 68.15 69.61 3kn2 h THR 40 CO 0.23 0.21 -0.46 0.00 -0.25 0.00 0.00 175.52 175.24 3kn2 s GLN 41 N -2.97 1.47 -0.08 4.72 -2.07 -1.26 -5.15 119.66 114.32 3kn2 s GLN 41 Ca -0.11 -1.68 0.02 0.00 -1.82 0.00 0.00 55.36 51.77 3kn2 s GLN 41 Cb -0.00 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 3kn2 s GLN 41 CO 0.40 -0.54 -0.12 -0.08 -1.32 0.00 0.00 175.29 173.64 3kn2 s THR 42 N -3.83 1.15 0.00 3.63 -1.32 -1.26 -0.52 115.64 113.49 3kn2 s THR 42 Ca 0.36 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 3kn2 s THR 42 Cb 0.04 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3kn2 s THR 42 CO 0.16 0.36 0.00 2.22 -2.21 0.00 0.00 174.62 175.16 3kn2 n PHE 43 N 3.99 0.00 -4.47 9.09 -1.74 0.46 -4.18 117.46 120.62 3kn2 n PHE 43 Ca -0.21 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.44 3kn2 n PHE 43 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 3kn2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3kn2 s LEU 44 N 0.00 2.58 -0.02 5.98 1.43 -0.02 0.10 118.68 128.74 3kn2 s LEU 44 Ca 0.00 -1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 3kn2 s LEU 44 Cb 0.00 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.15 3kn2 s LEU 44 CO 0.00 0.04 0.02 0.00 0.23 0.00 0.00 176.35 176.65 3kn2 s ALA 45 N -2.48 0.16 -0.12 4.21 0.00 -0.55 -4.18 121.76 118.79 3kn2 s ALA 45 Ca 0.30 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 3kn2 s ALA 45 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3kn2 s ALA 45 CO 0.15 -0.14 -0.01 0.99 0.00 0.00 0.00 175.76 176.75 3kn2 s THR 46 N 1.17 4.14 -0.34 0.00 2.01 0.94 -0.77 115.64 122.79 3kn2 s THR 46 Ca -0.08 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 3kn2 s THR 46 Cb -0.13 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 3kn2 s THR 46 CO -0.03 0.54 0.61 0.00 -0.69 0.00 0.00 174.62 175.05 3kn2 s ILE 48 N 2.61 1.05 -1.30 0.00 1.01 -0.28 -0.23 121.20 124.06 3kn2 s ILE 48 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 3kn2 s ILE 48 Cb -0.15 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 3kn2 s ILE 48 CO 0.13 0.36 0.62 0.59 0.00 0.00 0.00 174.94 176.65 3kn2 n ASN 49 N 4.60 -1.69 0.00 3.58 3.02 -0.89 -2.42 115.26 121.46 3kn2 n ASN 49 Ca -0.16 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3kn2 n ASN 49 Cb 0.50 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 3kn2 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kn2 n GLY 50 N -1.72 0.40 3.11 7.41 0.00 -1.26 -5.00 105.19 108.14 3kn2 n GLY 50 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3kn2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn2 s VAL 51 N -2.01 1.42 -0.30 1.61 1.01 -1.01 -1.46 120.40 119.66 3kn2 s VAL 51 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 3kn2 s VAL 51 Cb 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3kn2 s VAL 51 CO 0.00 0.41 0.61 0.00 0.00 0.00 0.00 175.10 176.12 3kn2 s TRP 53 N 2.56 2.88 0.37 0.00 0.52 0.14 -0.84 118.94 124.57 3kn2 s TRP 53 Ca 0.24 -0.08 -0.14 0.00 0.02 0.00 0.00 56.10 56.14 3kn2 s TRP 53 Cb -0.15 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 3kn2 s TRP 53 CO 0.11 0.46 0.74 -0.08 0.02 0.00 0.00 176.95 178.20 3kn2 s THR 54 N -1.31 0.00 -0.04 2.01 -1.32 -0.68 -0.04 115.64 114.27 3kn2 s THR 54 Ca 0.24 -1.09 -0.30 0.00 -1.21 0.00 0.00 61.69 59.33 3kn2 s THR 54 Cb -0.11 -2.79 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 3kn2 s THR 54 CO 0.17 0.00 1.00 0.54 -2.21 0.00 0.00 174.62 174.12 3kn2 s VAL 55 N -2.53 4.80 0.40 5.08 0.11 -1.26 -1.91 120.40 125.10 3kn2 s VAL 55 Ca 0.18 2.03 0.08 0.00 -2.93 0.00 0.00 61.98 61.33 3kn2 s VAL 55 Cb -0.04 -4.30 0.23 0.00 -1.53 0.00 0.00 36.38 30.74 3kn2 s VAL 55 CO 0.13 0.09 2.02 0.22 -3.33 0.00 0.00 175.10 174.22 3kn2 h TYR 56 N 6.93 0.44 0.00 1.54 3.20 -1.46 -1.64 116.97 125.97 3kn2 h TYR 56 Ca -0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3kn2 h TYR 56 Cb 1.19 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3kn2 h TYR 56 CO 0.69 0.34 0.00 -2.39 -1.64 0.00 0.00 178.16 175.16 3kn2 n HIS 57 N -4.42 0.00 -0.04 -3.82 1.44 -1.26 -0.25 115.22 106.87 3kn2 n HIS 57 Ca 0.02 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.66 3kn2 n HIS 57 Cb 0.12 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 3kn2 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kn2 n GLY 58 N 0.15 -0.11 0.08 -1.39 0.00 -0.82 -4.78 105.19 98.32 3kn2 n GLY 58 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3kn2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kn2 h ALA 59 N -0.18 0.38 -0.64 4.61 0.00 -1.33 -3.48 119.26 118.62 3kn2 h ALA 59 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3kn2 h ALA 59 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kn2 h ALA 59 CO -0.08 1.25 0.00 0.41 0.00 0.00 0.00 179.25 180.83 3kn2 n GLY 60 N 1.48 2.40 0.34 0.00 0.00 0.65 -2.38 105.19 107.69 3kn2 n GLY 60 Ca -0.08 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.67 3kn2 n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kn2 n THR 61 N 0.00 1.42 -0.67 2.61 5.66 -1.26 -4.88 114.28 117.15 3kn2 n THR 61 Ca 0.00 -1.43 -0.31 0.00 -3.05 0.00 0.00 64.05 59.26 3kn2 n THR 61 Cb 0.00 0.21 0.17 0.00 -1.55 0.00 0.00 70.33 69.16 3kn2 n THR 61 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kn2 n ARG 62 N -0.44 -0.83 -2.93 1.09 1.74 -1.00 -4.80 116.66 109.49 3kn2 n ARG 62 Ca 0.10 -0.19 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 3kn2 n ARG 62 Cb 0.49 -2.15 0.01 0.00 -1.02 0.00 0.00 32.46 29.80 3kn2 n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kn2 s THR 63 N -2.51 3.85 -0.12 0.55 -4.23 -1.26 -4.56 115.64 107.37 3kn2 s THR 63 Ca 0.64 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3kn2 s THR 63 Cb -0.22 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 3kn2 s THR 63 CO 0.62 -0.30 -0.07 -0.51 -0.54 0.00 0.00 174.62 173.82 3kn2 s ILE 64 N -2.59 3.68 0.12 2.99 2.07 -0.49 -4.86 121.20 122.12 3kn2 s ILE 64 Ca 0.49 -0.46 -0.31 0.00 -1.41 0.00 0.00 60.65 58.97 3kn2 s ILE 64 Cb -0.10 -2.56 -0.08 0.00 0.13 0.00 0.00 42.46 39.86 3kn2 s ILE 64 CO 0.38 0.54 1.37 0.00 -1.91 0.00 0.00 174.94 175.32 3kn2 s ALA 65 N -0.12 3.57 0.35 1.50 0.00 -1.26 -0.93 121.76 124.87 3kn2 s ALA 65 Ca 0.01 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3kn2 s ALA 65 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 3kn2 s ALA 65 CO 0.03 -0.59 0.22 -1.54 0.00 0.00 0.00 175.76 173.87 3kn2 s SER 66 N 1.03 1.95 0.47 0.00 1.04 -0.76 -4.56 113.70 112.87 3kn2 s SER 66 Ca 0.63 -1.71 0.32 0.00 0.48 0.00 0.00 55.95 55.68 3kn2 s SER 66 Cb -0.36 0.53 1.52 0.00 0.10 0.00 0.00 66.02 67.81 3kn2 s SER 66 CO 0.31 -1.01 1.97 -0.65 0.98 0.00 0.00 173.24 174.84 3kn2 h PRO 67 N 2.05 0.00 -0.48 4.02 0.11 -1.60 0.24 132.00 136.35 3kn2 h PRO 67 Ca -0.29 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.58 3kn2 h PRO 67 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3kn2 h PRO 67 CO 0.44 0.00 0.07 1.63 -0.21 0.00 0.00 178.00 179.93 3kn2 n LYS 68 N -2.75 2.00 0.00 1.05 5.02 -1.26 -4.77 118.16 117.45 3kn2 n LYS 68 Ca -0.00 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 3kn2 n LYS 68 Cb 0.18 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3kn2 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kn2 n GLY 69 N -1.08 -1.83 3.77 0.72 0.00 -1.00 -4.94 105.19 100.82 3kn2 n GLY 69 Ca 0.38 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 3kn2 n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kn2 s PRO 70 N 0.00 3.90 -0.15 1.61 0.02 -0.89 -1.83 135.00 137.66 3kn2 s PRO 70 Ca 0.00 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3kn2 s PRO 70 Cb 0.00 -2.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.96 3kn2 s PRO 70 CO 0.00 -0.45 -0.15 0.08 -0.33 0.00 0.00 177.00 176.15 3kn2 s VAL 71 N -1.46 2.70 0.48 3.83 1.01 -0.10 -4.91 120.40 121.93 3kn2 s VAL 71 Ca 0.60 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 3kn2 s VAL 71 Cb -0.30 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 3kn2 s VAL 71 CO 0.38 0.52 1.11 -0.63 0.00 0.00 0.00 175.10 176.47 3kn2 s ILE 72 N 0.73 3.39 0.34 2.22 -1.09 -1.26 -1.40 121.20 124.13 3kn2 s ILE 72 Ca -0.07 0.96 -0.29 0.00 -2.23 0.00 0.00 60.65 59.03 3kn2 s ILE 72 Cb -0.15 -3.44 -0.11 0.00 -1.58 0.00 0.00 42.46 37.18 3kn2 s ILE 72 CO 0.01 -0.09 1.41 -1.10 -1.23 0.00 0.00 174.94 173.94 3kn2 s GLN 73 N -2.93 4.23 -0.04 2.79 -0.21 -1.26 -4.70 119.66 117.54 3kn2 s GLN 73 Ca 0.66 2.40 -0.22 0.00 0.02 0.00 0.00 55.36 58.22 3kn2 s GLN 73 Cb -0.23 -3.03 -0.31 0.00 1.00 0.00 0.00 33.01 30.44 3kn2 s GLN 73 CO 0.28 -0.38 0.91 0.52 -2.12 0.00 0.00 175.29 174.51 3kn2 h MET 74 N 3.43 0.32 -6.01 2.91 2.86 0.19 -3.47 114.93 115.16 3kn2 h MET 74 Ca -0.49 -0.53 -0.53 0.00 -2.06 0.00 0.00 59.70 56.08 3kn2 h MET 74 Cb 1.23 0.19 -0.19 0.00 0.06 0.00 0.00 31.60 32.90 3kn2 h MET 74 CO 0.67 1.24 -0.79 0.71 1.06 0.00 0.00 176.91 179.80 3kn2 s TYR 75 N -2.49 1.84 -0.19 -0.22 2.02 -0.44 -4.96 117.35 112.91 3kn2 s TYR 75 Ca -0.13 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.02 3kn2 s TYR 75 Cb 0.01 -0.93 0.07 0.00 -0.40 0.00 0.00 41.96 40.71 3kn2 s TYR 75 CO 0.84 0.32 0.45 0.99 -1.57 0.00 0.00 175.55 176.58 3kn2 s THR 76 N -1.88 -0.20 -0.35 -0.71 2.01 -1.26 -1.53 115.64 111.72 3kn2 s THR 76 Ca 0.14 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.25 3kn2 s THR 76 Cb -0.07 -0.68 0.14 0.00 0.01 0.00 0.00 72.50 71.91 3kn2 s THR 76 CO 0.06 0.04 0.28 0.21 -0.69 0.00 0.00 174.62 174.53 3kn2 s ASN 77 N 1.76 2.13 0.42 3.53 3.84 -0.11 -4.99 114.94 121.52 3kn2 s ASN 77 Ca -0.08 -1.79 0.09 0.00 0.21 0.00 0.00 52.86 51.30 3kn2 s ASN 77 Cb -0.09 0.08 0.93 0.00 -0.55 0.00 0.00 41.25 41.62 3kn2 s ASN 77 CO -0.14 -0.30 2.05 0.58 -2.79 0.00 0.00 177.10 176.50 3kn2 h VAL 78 N 5.19 1.05 -0.26 -5.21 2.07 -1.96 0.16 116.25 117.28 3kn2 h VAL 78 Ca 0.03 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3kn2 h VAL 78 Cb 1.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3kn2 h VAL 78 CO 0.25 0.09 -0.21 0.44 0.02 0.00 0.00 177.57 178.16 3kn2 h ASP 79 N 0.48 0.64 -0.01 0.57 3.32 -1.94 -3.04 116.42 116.44 3kn2 h ASP 79 Ca 0.17 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kn2 h ASP 79 Cb 0.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kn2 h ASP 79 CO -0.04 0.95 -0.00 0.00 -1.72 0.00 0.00 179.24 178.43 3kn2 n GLN 80 N -4.37 1.58 -3.35 3.56 6.02 -0.97 -4.95 117.38 114.91 3kn2 n GLN 80 Ca -0.04 -0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 55.91 3kn2 n GLN 80 Cb 0.41 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.26 3kn2 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kn2 n ASP 81 N 0.04 -4.30 -4.23 1.08 2.03 -0.02 -4.98 116.55 106.17 3kn2 n ASP 81 Ca 0.19 -0.49 -0.18 0.00 0.52 0.00 0.00 54.79 54.84 3kn2 n ASP 81 Cb 0.33 -4.40 -0.11 0.00 -0.72 0.00 0.00 41.12 36.21 3kn2 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kn2 s LEU 82 N -6.13 2.39 -0.03 -2.67 1.43 -0.81 -1.38 118.68 111.48 3kn2 s LEU 82 Ca 0.31 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 3kn2 s LEU 82 Cb -0.14 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.57 3kn2 s LEU 82 CO 0.62 -0.14 0.34 0.68 0.23 0.00 0.00 176.35 178.08 3kn2 s VAL 83 N -2.08 0.05 -0.10 -1.59 -7.23 -0.80 -0.94 120.40 107.70 3kn2 s VAL 83 Ca 0.08 -0.38 -0.08 0.00 -1.81 0.00 0.00 61.98 59.79 3kn2 s VAL 83 Cb -0.05 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.30 3kn2 s VAL 83 CO 0.03 -0.21 0.26 -0.83 -0.31 0.00 0.00 175.10 174.04 3kn2 s GLY 84 N -1.10 -0.18 0.31 2.32 0.00 -0.58 -1.68 107.32 106.40 3kn2 s GLY 84 Ca -0.11 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.55 3kn2 s GLY 84 CO 0.04 0.86 -0.09 -0.98 0.00 0.00 0.00 173.10 172.93 3kn2 s TRP 85 N 0.52 2.44 0.32 1.90 0.51 -0.02 0.90 118.94 125.52 3kn2 s TRP 85 Ca -0.03 -0.40 -0.29 0.00 -2.12 0.00 0.00 56.10 53.26 3kn2 s TRP 85 Cb -0.05 -1.27 -0.11 0.00 -0.81 0.00 0.00 33.47 31.24 3kn2 s TRP 85 CO -0.03 0.60 1.43 -2.14 -0.51 0.00 0.00 176.95 176.30 3kn2 s PRO 86 N -3.62 4.23 0.24 4.98 0.02 -1.26 -0.06 135.00 139.53 3kn2 s PRO 86 Ca 0.32 2.39 -0.31 0.00 0.02 0.00 0.00 61.00 63.42 3kn2 s PRO 86 Cb -0.02 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.34 3kn2 s PRO 86 CO 0.17 -0.40 1.58 0.00 -0.33 0.00 0.00 177.00 178.02 3kn2 n ALA 87 N 1.16 2.05 -1.69 -1.55 0.00 -0.53 -4.45 120.51 115.49 3kn2 n ALA 87 Ca 0.03 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 3kn2 n ALA 87 Cb 0.40 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.45 3kn2 n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kn2 n PRO 88 N 2.76 1.83 -1.80 0.00 -0.02 -1.26 -4.87 135.00 131.64 3kn2 n PRO 88 Ca 0.12 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3kn2 n PRO 88 Cb 0.34 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3kn2 n PRO 88 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kn2 s GLN 89 N -2.17 4.16 0.00 -0.52 2.00 -1.26 -1.77 119.66 120.10 3kn2 s GLN 89 Ca 0.61 2.47 0.00 0.00 -2.00 0.00 0.00 55.36 56.44 3kn2 s GLN 89 Cb -0.52 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 29.51 3kn2 s GLN 89 CO 0.58 -0.84 0.00 0.41 -0.50 0.00 0.00 175.29 174.94 3kn2 n GLY 90 N 4.23 1.08 3.79 2.59 0.00 -1.26 -4.26 105.19 111.36 3kn2 n GLY 90 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3kn2 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kn2 s SER 91 N -1.02 4.37 -0.03 1.61 1.04 -0.73 -4.01 113.70 114.93 3kn2 s SER 91 Ca 0.00 1.39 0.07 0.00 0.48 0.00 0.00 55.95 57.89 3kn2 s SER 91 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 3kn2 s SER 91 CO 0.00 -2.06 -0.23 -0.13 0.98 0.00 0.00 173.24 171.80 3kn2 s ARG 92 N -5.09 1.99 0.16 4.02 0.52 0.73 -4.85 118.95 116.43 3kn2 s ARG 92 Ca 0.61 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.96 3kn2 s ARG 92 Cb -0.15 -1.84 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 3kn2 s ARG 92 CO 0.55 0.44 0.39 -1.12 0.02 0.00 0.00 175.30 175.58 3kn2 s SER 93 N -0.39 6.49 0.64 0.23 0.01 -1.26 -3.79 113.70 115.63 3kn2 s SER 93 Ca 0.05 0.61 -0.02 0.00 1.31 0.00 0.00 55.95 57.89 3kn2 s SER 93 Cb -0.10 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.09 3kn2 s SER 93 CO 0.00 0.03 0.90 -0.76 0.41 0.00 0.00 173.24 173.82 3kn2 s LEU 94 N -2.74 3.07 0.08 2.44 1.43 0.68 -4.78 118.68 118.86 3kn2 s LEU 94 Ca 0.41 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 3kn2 s LEU 94 Cb -0.12 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3kn2 s LEU 94 CO 0.25 -1.44 -0.22 0.42 0.23 0.00 0.00 176.35 175.59 3kn2 s THR 95 N -3.00 1.80 0.51 5.49 -4.23 -1.26 -2.09 115.64 112.86 3kn2 s THR 95 Ca 0.60 -1.42 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 3kn2 s THR 95 Cb -0.09 -1.59 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 3kn2 s THR 95 CO 0.42 0.10 1.30 -2.65 -0.54 0.00 0.00 174.62 173.25 3kn2 n PRO 96 N 1.42 1.73 -2.20 3.99 -0.02 -1.26 -1.25 135.00 137.40 3kn2 n PRO 96 Ca -0.18 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 3kn2 n PRO 96 Cb 0.53 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 3kn2 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kn2 n THR 98 N -0.08 -0.11 -1.17 0.00 -2.24 -1.26 -4.81 114.28 104.61 3kn2 n THR 98 Ca 0.05 -4.46 0.00 0.00 -2.27 0.00 0.00 64.05 57.38 3kn2 n THR 98 Cb 0.46 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3kn2 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kn2 n GLY 100 N 0.00 -0.50 3.77 0.00 0.00 -1.26 -4.93 105.19 102.27 3kn2 n GLY 100 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kn2 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kn2 s SER 101 N -2.83 6.76 0.00 1.61 0.01 -1.26 -4.91 113.70 113.08 3kn2 s SER 101 Ca 0.42 2.69 0.24 0.00 1.31 0.00 0.00 55.95 60.61 3kn2 s SER 101 Cb -0.21 -2.65 0.32 0.00 0.21 0.00 0.00 66.02 63.69 3kn2 s SER 101 CO 0.52 -0.54 1.29 -1.54 0.41 0.00 0.00 173.24 173.37 3kn2 n SER 102 N 0.77 0.75 -4.45 2.44 3.41 -1.26 -4.75 113.62 110.52 3kn2 n SER 102 Ca 0.00 -0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 57.61 3kn2 n SER 102 Cb 0.42 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 3kn2 n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kn2 s ASP 103 N -2.92 6.17 0.32 4.04 1.01 -1.26 -0.06 116.67 123.96 3kn2 s ASP 103 Ca 0.12 -0.89 0.09 0.00 0.71 0.00 0.00 52.55 52.58 3kn2 s ASP 103 Cb 0.17 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3kn2 s ASP 103 CO 0.72 -0.59 0.09 -0.76 0.21 0.00 0.00 175.17 174.84 3kn2 s LEU 104 N 1.97 3.23 -0.09 1.23 1.43 -0.09 -3.96 118.68 122.41 3kn2 s LEU 104 Ca 0.09 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3kn2 s LEU 104 Cb -0.19 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.35 3kn2 s LEU 104 CO 0.11 -0.20 0.03 -0.31 0.23 0.00 0.00 176.35 176.20 3kn2 s TYR 105 N -2.40 0.56 -0.16 0.29 2.02 0.89 -0.65 117.35 117.90 3kn2 s TYR 105 Ca 0.36 -0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.65 3kn2 s TYR 105 Cb -0.03 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 3kn2 s TYR 105 CO 0.22 -0.36 0.59 -1.17 -1.57 0.00 0.00 175.55 173.25 3kn2 s LEU 106 N 2.01 4.20 -0.23 -1.29 2.96 0.62 -0.58 118.68 126.36 3kn2 s LEU 106 Ca 0.04 0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 54.63 3kn2 s LEU 106 Cb -0.13 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3kn2 s LEU 106 CO -0.06 -0.17 0.44 -0.69 -1.32 0.00 0.00 176.35 174.56 3kn2 s VAL 107 N 1.41 5.15 0.50 1.68 1.01 -0.87 -0.65 120.40 128.62 3kn2 s VAL 107 Ca 0.29 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.06 3kn2 s VAL 107 Cb -0.16 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3kn2 s VAL 107 CO 0.11 0.18 0.71 0.42 0.00 0.00 0.00 175.10 176.52 3kn2 s THR 108 N 1.73 3.16 0.62 3.92 -4.23 0.51 -4.30 115.64 117.05 3kn2 s THR 108 Ca 0.20 -0.67 0.33 0.00 -1.18 0.00 0.00 61.69 60.36 3kn2 s THR 108 Cb -0.15 -3.16 0.37 0.00 1.34 0.00 0.00 72.50 70.90 3kn2 s THR 108 CO 0.09 -0.10 2.14 -0.09 -0.54 0.00 0.00 174.62 176.11 3kn2 h ARG 109 N 0.27 0.00 -0.64 3.99 2.43 -1.88 0.34 114.38 118.88 3kn2 h ARG 109 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3kn2 h ARG 109 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3kn2 h ARG 109 CO 0.53 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.71 3kn2 n HIS 110 N -3.45 1.41 -2.26 2.20 -0.00 -1.26 -4.93 115.22 106.94 3kn2 n HIS 110 Ca -0.00 -0.55 -0.15 0.00 -0.00 0.00 0.00 57.72 57.01 3kn2 n HIS 110 Cb 0.26 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.99 29.99 3kn2 n HIS 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kn2 n ALA 111 N 0.97 -0.44 -2.88 -1.41 0.00 0.12 -4.76 120.51 112.10 3kn2 n ALA 111 Ca 0.24 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 3kn2 n ALA 111 Cb 0.85 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 3kn2 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kn2 s ASP 112 N -2.33 6.32 -0.23 0.00 1.01 -1.25 -4.43 116.67 115.75 3kn2 s ASP 112 Ca 0.00 0.38 -0.02 0.00 0.71 0.00 0.00 52.55 53.62 3kn2 s ASP 112 Cb 0.00 -2.00 0.02 0.00 1.01 0.00 0.00 42.92 41.95 3kn2 s ASP 112 CO 0.00 0.32 -0.08 0.54 0.21 0.00 0.00 175.17 176.16 3kn2 s VAL 113 N -1.20 2.82 -0.09 -1.27 0.11 -1.26 -0.37 120.40 119.15 3kn2 s VAL 113 Ca 0.22 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 3kn2 s VAL 113 Cb -0.12 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.35 3kn2 s VAL 113 CO 0.13 0.31 -0.12 0.27 -3.33 0.00 0.00 175.10 172.36 3kn2 s ILE 114 N 1.35 3.20 0.30 7.04 -4.36 0.18 -4.88 121.20 124.03 3kn2 s ILE 114 Ca 0.02 -0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 59.48 3kn2 s ILE 114 Cb -0.15 -2.31 -0.10 0.00 1.25 0.00 0.00 42.46 41.15 3kn2 s ILE 114 CO -0.06 0.56 1.16 -2.16 0.24 0.00 0.00 174.94 174.68 3kn2 s PRO 115 N -0.24 4.54 0.02 0.37 0.04 -1.26 -0.28 135.00 138.18 3kn2 s PRO 115 Ca 0.02 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3kn2 s PRO 115 Cb -0.13 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3kn2 s PRO 115 CO 0.03 0.09 -0.05 0.14 0.04 0.00 0.00 177.00 177.24 3kn2 s VAL 116 N -1.17 0.36 -0.27 -0.36 -7.23 0.18 -2.82 120.40 109.09 3kn2 s VAL 116 Ca 0.46 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.97 3kn2 s VAL 116 Cb -0.34 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 3kn2 s VAL 116 CO 0.44 -0.15 0.12 -0.60 -0.31 0.00 0.00 175.10 174.60 3kn2 s ARG 117 N -0.78 3.70 -0.07 4.82 6.06 0.24 -0.91 118.95 132.01 3kn2 s ARG 117 Ca -0.05 -0.46 -0.29 0.00 -2.50 0.00 0.00 55.73 52.43 3kn2 s ARG 117 Cb -0.05 -3.47 -0.07 0.00 0.06 0.00 0.00 34.95 31.41 3kn2 s ARG 117 CO -0.00 -0.22 2.08 -2.13 -2.50 0.00 0.00 175.30 172.53 3kn2 n ARG 118 N 4.98 2.48 -0.11 5.12 3.00 0.92 -0.10 116.66 132.95 3kn2 n ARG 118 Ca -0.15 0.83 -0.13 0.00 -0.00 0.00 0.00 57.85 58.40 3kn2 n ARG 118 Cb 0.51 -3.10 -0.14 0.00 0.00 0.00 0.00 32.46 29.73 3kn2 n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3kn2 n ARG 119 N 8.04 0.69 -4.04 -0.14 3.00 0.74 -4.93 116.66 120.01 3kn2 n ARG 119 Ca 0.24 0.05 -0.11 0.00 -0.01 0.00 0.00 57.85 58.02 3kn2 n ARG 119 Cb 0.42 -1.52 -0.05 0.00 0.00 0.00 0.00 32.46 31.32 3kn2 n ARG 119 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3kn2 s GLY 120 N -5.85 0.98 0.24 -0.13 0.00 -0.78 -4.95 107.32 96.84 3kn2 s GLY 120 Ca -0.19 -1.20 0.15 0.00 0.00 0.00 0.00 44.72 43.48 3kn2 s GLY 120 CO 0.74 -0.83 1.43 2.09 0.00 0.00 0.00 173.10 176.53 3kn2 n ASP 121 N -0.82 0.39 -0.10 1.64 5.68 -1.26 -1.91 116.55 120.17 3kn2 n ASP 121 Ca -0.01 0.65 0.01 0.00 -0.50 0.00 0.00 54.79 54.94 3kn2 n ASP 121 Cb 0.62 -0.69 0.01 0.00 -1.14 0.00 0.00 41.12 39.92 3kn2 n ASP 121 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kn2 n SER 122 N -2.02 0.46 -4.08 -1.12 3.41 -1.26 -4.48 113.62 104.51 3kn2 n SER 122 Ca -0.01 -1.48 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 3kn2 n SER 122 Cb 0.08 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 3kn2 n SER 122 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kn2 s ARG 123 N -0.32 0.59 -0.04 4.33 1.81 -0.80 -1.86 118.95 122.66 3kn2 s ARG 123 Ca 0.02 -0.94 -0.23 0.00 -1.72 0.00 0.00 55.73 52.86 3kn2 s ARG 123 Cb 0.02 -0.18 0.05 0.00 -0.45 0.00 0.00 34.95 34.38 3kn2 s ARG 123 CO 0.00 0.01 0.51 0.20 -0.68 0.00 0.00 175.30 175.34 3kn2 s GLY 124 N -2.08 -0.38 -0.13 -3.53 0.00 -1.01 -0.19 107.32 100.00 3kn2 s GLY 124 Ca -0.03 0.88 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 3kn2 s GLY 124 CO -0.02 0.59 0.09 -0.56 0.00 0.00 0.00 173.10 173.20 3kn2 s SER 125 N -1.20 5.93 -0.11 1.64 0.01 0.86 -0.91 113.70 119.93 3kn2 s SER 125 Ca -0.12 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 3kn2 s SER 125 Cb -0.02 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 3kn2 s SER 125 CO 0.07 0.34 1.21 -0.76 0.41 0.00 0.00 173.24 174.51 3kn2 s LEU 126 N -0.63 4.23 0.48 2.44 1.43 -0.12 -0.59 118.68 125.92 3kn2 s LEU 126 Ca 0.12 1.74 0.25 0.00 -1.03 0.00 0.00 54.13 55.21 3kn2 s LEU 126 Cb -0.12 -3.55 1.18 0.00 0.03 0.00 0.00 46.19 43.73 3kn2 s LEU 126 CO 0.02 -0.65 1.95 -0.07 0.23 0.00 0.00 176.35 177.83 3kn2 h LEU 127 N 8.84 0.00 -7.12 1.79 3.38 -1.84 -3.36 115.31 117.00 3kn2 h LEU 127 Ca -0.30 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.07 3kn2 h LEU 127 Cb 1.13 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 3kn2 h LEU 127 CO 0.92 0.18 -0.75 -0.44 0.09 0.00 0.00 178.44 178.44 3kn2 s SER 128 N -6.19 3.95 0.56 -0.43 0.01 -1.26 -5.12 113.70 105.22 3kn2 s SER 128 Ca -0.01 -1.89 -0.19 0.00 1.31 0.00 0.00 55.95 55.16 3kn2 s SER 128 Cb 0.12 -0.92 -0.07 0.00 0.21 0.00 0.00 66.02 65.36 3kn2 s SER 128 CO 0.61 -0.38 0.85 -2.65 0.41 0.00 0.00 173.24 172.08 3kn2 n PRO 129 N 4.52 0.86 -4.19 12.44 -0.02 -1.26 -5.02 135.00 142.33 3kn2 n PRO 129 Ca 0.01 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 3kn2 n PRO 129 Cb 0.40 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3kn2 n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kn2 s ARG 130 N -2.45 0.92 0.45 -0.52 1.81 -1.08 -4.99 118.95 113.09 3kn2 s ARG 130 Ca 0.72 -1.39 -0.23 0.00 -1.72 0.00 0.00 55.73 53.10 3kn2 s ARG 130 Cb -0.45 -0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 33.73 3kn2 s ARG 130 CO 0.51 -0.04 1.16 -2.14 -0.68 0.00 0.00 175.30 174.10 3kn2 s PRO 131 N -3.85 3.82 0.28 3.54 0.02 -1.26 -0.48 135.00 137.07 3kn2 s PRO 131 Ca 0.15 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3kn2 s PRO 131 Cb 0.05 -2.45 0.64 0.00 0.02 0.00 0.00 34.50 32.76 3kn2 s PRO 131 CO -0.02 -0.49 1.77 0.97 -0.33 0.00 0.00 177.00 178.90 3kn2 h ILE 132 N 1.95 0.73 -0.80 2.83 6.09 -1.73 -0.97 117.51 125.60 3kn2 h ILE 132 Ca -0.49 -0.25 0.18 0.00 -1.37 0.00 0.00 64.86 62.94 3kn2 h ILE 132 Cb 1.24 -0.05 -0.05 0.00 0.47 0.00 0.00 36.82 38.43 3kn2 h ILE 132 CO 0.61 0.13 0.54 0.77 -3.07 0.00 0.00 178.15 177.13 3kn2 h SER 133 N 0.72 0.30 0.12 2.19 4.64 -1.91 0.43 113.55 120.04 3kn2 h SER 133 Ca 0.53 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.80 3kn2 h SER 133 Cb 0.77 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3kn2 h SER 133 CO -0.37 0.14 -0.23 0.22 -0.87 0.00 0.00 176.83 175.72 3kn2 h TYR 134 N 0.31 0.22 -0.00 4.77 3.20 -1.54 -2.83 116.97 121.10 3kn2 h TYR 134 Ca 0.40 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3kn2 h TYR 134 Cb 1.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.31 3kn2 h TYR 134 CO -0.00 0.42 -0.31 1.28 -1.64 0.00 0.00 178.16 177.91 3kn2 n LEU 135 N -4.20 0.68 -4.73 2.82 4.32 0.13 -4.88 117.00 111.13 3kn2 n LEU 135 Ca -0.01 -0.07 -0.42 0.00 -0.02 0.00 0.00 56.01 55.49 3kn2 n LEU 135 Cb 0.33 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 3kn2 n LEU 135 CO 0.39 0.14 1.13 -0.54 -1.22 0.00 0.00 177.39 177.28 3kn2 s LYS 136 N -2.72 4.27 0.00 3.23 1.02 -1.07 -1.78 119.74 122.69 3kn2 s LYS 136 Ca 0.19 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.45 3kn2 s LYS 136 Cb 0.19 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3kn2 s LYS 136 CO 0.58 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 3kn2 n GLY 137 N 2.85 0.68 0.54 -3.33 0.00 -1.26 -4.89 105.19 99.78 3kn2 n GLY 137 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3kn2 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kn2 n SER 138 N 0.00 1.81 -4.71 1.61 7.64 -0.74 -3.48 113.62 115.76 3kn2 n SER 138 Ca 0.00 -1.48 -0.43 0.00 1.01 0.00 0.00 58.87 57.97 3kn2 n SER 138 Cb 0.00 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 3kn2 n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kn2 n SER 139 N 0.23 3.61 0.00 6.43 7.64 -1.26 -1.09 113.62 129.19 3kn2 n SER 139 Ca 0.15 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3kn2 n SER 139 Cb 0.43 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3kn2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kn2 n GLY 140 N 3.25 1.22 3.73 0.23 0.00 0.76 -0.84 105.19 113.54 3kn2 n GLY 140 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kn2 n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kn2 s GLY 141 N -2.09 1.63 0.27 -0.02 0.00 -0.25 -3.45 107.32 103.41 3kn2 s GLY 141 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.58 3kn2 s GLY 141 CO 0.00 0.45 0.67 2.56 0.00 0.00 0.00 173.10 176.79 3kn2 s PRO 142 N -4.94 3.97 -0.27 2.90 0.04 -1.26 -0.70 135.00 134.74 3kn2 s PRO 142 Ca 0.63 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 3kn2 s PRO 142 Cb -0.18 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.81 3kn2 s PRO 142 CO 0.57 0.25 0.02 -0.51 0.04 0.00 0.00 177.00 177.36 3kn2 s LEU 143 N -2.76 3.49 0.14 -3.56 1.02 0.47 -2.05 118.68 115.42 3kn2 s LEU 143 Ca 0.50 -0.71 0.04 0.00 0.02 0.00 0.00 54.13 53.98 3kn2 s LEU 143 Cb -0.11 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 3kn2 s LEU 143 CO 0.19 -0.14 0.15 -0.76 0.02 0.00 0.00 176.35 175.81 3kn2 s LEU 144 N 1.44 3.91 0.63 1.79 1.02 0.25 0.15 118.68 127.86 3kn2 s LEU 144 Ca 0.02 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.14 3kn2 s LEU 144 Cb -0.17 -2.53 0.08 0.00 0.02 0.00 0.00 46.19 43.60 3kn2 s LEU 144 CO -0.01 0.09 0.88 0.00 0.02 0.00 0.00 176.35 177.33 3kn2 h PRO 146 N -0.20 0.00 -0.00 0.00 0.11 -1.92 0.64 132.00 130.63 3kn2 h PRO 146 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kn2 h PRO 146 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kn2 h PRO 146 CO 0.45 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 177.97 3kn2 n ALA 147 N -2.01 3.05 -0.91 -0.75 0.00 -1.26 -4.88 120.51 113.74 3kn2 n ALA 147 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3kn2 n ALA 147 Cb 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3kn2 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kn2 n GLY 148 N 1.45 0.90 3.59 0.00 0.00 0.22 -5.07 105.19 106.28 3kn2 n GLY 148 Ca 0.08 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3kn2 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kn2 s HIS 149 N -2.00 2.86 0.07 1.61 3.76 -1.26 -4.74 115.29 115.60 3kn2 s HIS 149 Ca 0.00 -0.06 -0.31 0.00 -0.15 0.00 0.00 55.06 54.54 3kn2 s HIS 149 Cb 0.00 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 32.04 3kn2 s HIS 149 CO 0.00 0.38 1.59 0.00 -0.85 0.00 0.00 174.74 175.87 3kn2 s ALA 150 N -1.05 3.68 -0.17 -1.40 0.00 -0.38 -1.57 121.76 120.86 3kn2 s ALA 150 Ca 0.18 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.40 3kn2 s ALA 150 Cb -0.11 -3.66 -0.17 0.00 0.00 0.00 0.00 23.12 19.18 3kn2 s ALA 150 CO 0.09 -1.01 -0.05 0.28 0.00 0.00 0.00 175.76 175.07 3kn2 n VAL 151 N 4.59 1.11 -3.88 0.00 0.31 0.12 -0.83 118.33 119.75 3kn2 n VAL 151 Ca 0.15 -0.57 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 3kn2 n VAL 151 Cb 0.41 -0.86 0.02 0.00 -0.91 0.00 0.00 33.84 32.50 3kn2 n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kn2 s GLY 152 N -5.37 0.10 -0.10 2.92 0.00 -1.12 -1.61 107.32 102.13 3kn2 s GLY 152 Ca -0.16 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.28 3kn2 s GLY 152 CO 0.56 2.51 -0.23 1.08 0.00 0.00 0.00 173.10 177.02 3kn2 s LEU 153 N -3.41 2.04 0.09 0.66 1.02 -0.08 -0.40 118.68 118.60 3kn2 s LEU 153 Ca 0.22 -0.53 -0.31 0.00 0.02 0.00 0.00 54.13 53.53 3kn2 s LEU 153 Cb -0.02 -1.34 -0.10 0.00 0.02 0.00 0.00 46.19 44.75 3kn2 s LEU 153 CO 0.05 0.14 1.88 0.12 0.02 0.00 0.00 176.35 178.56 3kn2 s PHE 154 N 0.38 1.84 -0.13 0.29 5.36 0.12 -0.23 117.98 125.61 3kn2 s PHE 154 Ca -0.18 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.53 3kn2 s PHE 154 Cb -0.18 -4.20 -0.06 0.00 -0.34 0.00 0.00 43.02 38.25 3kn2 s PHE 154 CO 0.08 -5.11 -0.19 -2.13 -1.46 0.00 0.00 175.22 166.42 3kn2 n ARG 155 N 6.36 0.30 -3.76 10.12 0.63 0.17 -0.17 116.66 130.29 3kn2 n ARG 155 Ca 0.18 0.13 -0.11 0.00 -0.92 0.00 0.00 57.85 57.14 3kn2 n ARG 155 Cb 0.39 -1.01 -0.07 0.00 0.45 0.00 0.00 32.46 32.22 3kn2 n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kn2 s ALA 156 N -2.30 -0.61 0.06 5.13 0.00 -0.42 -4.90 121.76 118.72 3kn2 s ALA 156 Ca -0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 3kn2 s ALA 156 Cb 0.07 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 3kn2 s ALA 156 CO 0.25 -0.45 0.38 0.00 0.00 0.00 0.00 175.76 175.94 3kn2 s ALA 157 N -2.89 3.74 -0.60 0.00 0.00 -1.26 0.13 121.76 120.87 3kn2 s ALA 157 Ca -0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3kn2 s ALA 157 Cb 0.00 -2.26 0.16 0.00 0.00 0.00 0.00 23.12 21.02 3kn2 s ALA 157 CO -0.06 0.57 0.48 0.08 0.00 0.00 0.00 175.76 176.83 3kn2 s VAL 158 N -1.35 4.48 0.30 0.00 1.01 -0.05 -4.87 120.40 119.92 3kn2 s VAL 158 Ca 0.31 -2.26 0.05 0.00 0.00 0.00 0.00 61.98 60.09 3kn2 s VAL 158 Cb -0.14 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3kn2 s VAL 158 CO 0.17 -0.87 -0.00 0.00 0.00 0.00 0.00 175.10 174.40 3kn2 s THR 160 N -3.14 -0.01 -1.69 0.00 -4.23 -0.73 -4.86 115.64 100.99 3kn2 s THR 160 Ca 0.33 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3kn2 s THR 160 Cb 0.06 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.41 3kn2 s THR 160 CO 0.14 0.01 0.00 0.54 -0.54 0.00 0.00 174.62 174.76 3kn2 n ARG 161 N 3.14 -1.70 -1.04 3.99 5.12 -1.26 -1.12 116.66 123.80 3kn2 n ARG 161 Ca -0.15 0.95 -0.01 0.00 -1.93 0.00 0.00 57.85 56.71 3kn2 n ARG 161 Cb 0.57 -5.49 -0.01 0.00 -1.16 0.00 0.00 32.46 26.37 3kn2 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kn2 n GLY 162 N -0.74 0.49 3.01 -0.13 0.00 -1.26 -5.03 105.19 101.52 3kn2 n GLY 162 Ca -0.21 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3kn2 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn2 s VAL 163 N -2.04 1.44 -0.16 1.61 1.01 -0.28 -1.92 120.40 120.07 3kn2 s VAL 163 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3kn2 s VAL 163 Cb 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 3kn2 s VAL 163 CO 0.00 0.44 1.07 0.00 0.00 0.00 0.00 175.10 176.61 3kn2 s ALA 164 N 1.40 3.57 -0.10 5.51 0.00 0.37 -1.77 121.76 130.73 3kn2 s ALA 164 Ca 0.02 0.33 0.11 0.00 0.00 0.00 0.00 51.96 52.42 3kn2 s ALA 164 Cb -0.13 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.30 3kn2 s ALA 164 CO -0.08 -0.88 0.29 1.63 0.00 0.00 0.00 175.76 176.72 3kn2 n LYS 165 N 5.79 0.87 -4.05 0.00 5.02 -0.47 -2.62 118.16 122.70 3kn2 n LYS 165 Ca 0.11 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 3kn2 n LYS 165 Cb 0.47 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 3kn2 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kn2 s ALA 166 N -2.67 0.29 0.04 7.82 0.00 -1.01 -0.94 121.76 125.29 3kn2 s ALA 166 Ca -0.03 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3kn2 s ALA 166 Cb 0.08 1.13 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 3kn2 s ALA 166 CO 0.47 -0.80 -0.06 0.14 0.00 0.00 0.00 175.76 175.51 3kn2 s VAL 167 N -3.62 0.42 -0.17 0.00 -7.23 -0.09 -0.88 120.40 108.84 3kn2 s VAL 167 Ca 0.27 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3kn2 s VAL 167 Cb 0.00 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 3kn2 s VAL 167 CO 0.14 -0.46 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.76 3kn2 s ASP 168 N -1.68 4.24 0.22 4.85 2.15 0.12 -2.41 116.67 124.15 3kn2 s ASP 168 Ca -0.10 -0.32 0.03 0.00 0.43 0.00 0.00 52.55 52.60 3kn2 s ASP 168 Cb -0.08 -1.69 -0.05 0.00 -0.30 0.00 0.00 42.92 40.80 3kn2 s ASP 168 CO -0.01 0.10 -0.00 0.72 -0.17 0.00 0.00 175.17 175.81 3kn2 s PHE 169 N 0.78 1.50 -0.45 -5.34 -0.12 -0.78 -0.66 117.98 112.91 3kn2 s PHE 169 Ca -0.03 -0.94 -0.16 0.00 -0.05 0.00 0.00 56.93 55.75 3kn2 s PHE 169 Cb -0.15 -0.86 0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3kn2 s PHE 169 CO 0.01 -0.07 0.39 0.42 -0.05 0.00 0.00 175.22 175.93 3kn2 s ILE 170 N -3.46 5.18 0.51 -4.49 1.01 0.68 -4.70 121.20 115.93 3kn2 s ILE 170 Ca 0.28 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3kn2 s ILE 170 Cb 0.06 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 3kn2 s ILE 170 CO 0.08 -0.49 1.26 -2.16 0.00 0.00 0.00 174.94 173.63 3kn2 s PRO 171 N 1.83 3.42 0.54 2.79 0.04 -1.26 -0.90 135.00 141.46 3kn2 s PRO 171 Ca 0.07 2.00 0.33 0.00 0.04 0.00 0.00 61.00 63.44 3kn2 s PRO 171 Cb -0.21 -2.31 1.50 0.00 0.04 0.00 0.00 34.50 33.52 3kn2 s PRO 171 CO 0.09 -0.89 1.86 0.28 0.04 0.00 0.00 177.00 178.38 3kn2 h VAL 172 N 1.62 0.50 -0.49 -0.36 2.07 -1.62 0.99 116.25 118.96 3kn2 h VAL 172 Ca -0.50 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.08 3kn2 h VAL 172 Cb 1.28 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3kn2 h VAL 172 CO 0.58 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 178.18 3kn2 h GLU 173 N 0.00 0.42 0.00 1.57 3.07 -1.90 0.33 114.58 118.07 3kn2 h GLU 173 Ca 0.46 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3kn2 h GLU 173 Cb 1.86 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 3kn2 h GLU 173 CO -0.00 0.28 0.00 -0.91 -1.40 0.00 0.00 179.01 176.97 3kn2 h ASN 174 N 0.43 0.00 -0.05 1.42 4.21 -1.15 -2.39 115.58 118.06 3kn2 h ASN 174 Ca 0.21 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 3kn2 h ASN 174 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3kn2 h ASN 174 CO -0.06 0.00 -0.11 -0.07 -1.29 0.00 0.00 177.43 175.90 3kn2 h LEU 175 N 0.00 0.18 -0.18 1.61 4.07 -0.44 -1.41 115.31 119.14 3kn2 h LEU 175 Ca 0.00 -0.59 0.04 0.00 0.08 0.00 0.00 57.88 57.41 3kn2 h LEU 175 Cb 0.60 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 3kn2 h LEU 175 CO 0.00 0.74 -0.04 -0.33 -1.08 0.00 0.00 178.44 177.73 3kn2 h GLU 176 N -0.37 0.00 -0.51 1.13 4.39 -1.24 -0.73 114.58 117.26 3kn2 h GLU 176 Ca -0.00 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3kn2 h GLU 176 Cb 0.71 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 3kn2 h GLU 176 CO 0.02 0.00 0.15 1.15 -1.16 0.00 0.00 179.01 179.18 3kn2 h THR 177 N 0.00 0.78 -0.48 1.13 2.02 -1.45 -1.45 112.91 113.46 3kn2 h THR 177 Ca 0.09 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3kn2 h THR 177 Cb 0.13 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3kn2 h THR 177 CO -0.18 0.06 0.11 0.74 0.37 0.00 0.00 175.52 176.62 3kn2 h THR 178 N 0.32 1.21 -0.26 3.16 2.02 -0.58 -2.64 112.91 116.14 3kn2 h THR 178 Ca 0.25 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 3kn2 h THR 178 Cb 0.30 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3kn2 h THR 178 CO -0.28 0.28 -0.13 0.24 0.37 0.00 0.00 175.52 176.00 3kn2 h MET 179 N 0.71 0.44 -0.95 6.66 2.07 -0.10 -2.28 114.93 121.47 3kn2 h MET 179 Ca 0.16 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 3kn2 h MET 179 Cb 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 3kn2 h MET 179 CO -0.00 0.57 0.07 0.54 1.07 0.00 0.00 176.91 179.16 3kn2 n ARG 180 N -4.21 1.57 0.00 1.72 1.74 -0.90 -5.11 116.66 111.47 3kn2 n ARG 180 Ca 0.00 -0.67 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 3kn2 n ARG 180 Cb 0.31 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3kn2 n ARG 180 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54