#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 s GLY 2 N 0.00 -0.40 0.00 -5.12 0.00 -1.26 -5.03 107.32 95.51 2kk1 s GLY 2 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.14 2kk1 s GLY 2 CO 0.00 1.20 0.00 1.42 0.00 0.00 0.00 173.10 175.72 2kk1 n HIS 3 N 2.55 0.00 -1.85 1.90 -0.00 -1.26 -5.03 115.22 111.52 2kk1 n HIS 3 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.40 2kk1 n HIS 3 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.50 2kk1 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk1 n HIS 4 N -1.57 -0.35 -2.98 4.41 -0.00 -1.26 -4.94 115.22 108.54 2kk1 n HIS 4 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 2kk1 n HIS 4 Cb 0.35 -3.24 -0.02 0.00 -0.00 0.00 0.00 29.99 27.07 2kk1 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk1 s HIS 5 N -2.75 3.21 -0.33 1.57 5.65 -1.26 -5.01 115.29 116.37 2kk1 s HIS 5 Ca 0.00 -1.49 -0.25 0.00 0.25 0.00 0.00 55.06 53.57 2kk1 s HIS 5 Cb 0.00 -4.22 0.01 0.00 -1.18 0.00 0.00 32.58 27.18 2kk1 s HIS 5 CO 0.00 -1.42 0.89 -1.58 -0.65 0.00 0.00 174.74 171.98 2kk1 s HIS 6 N 2.33 3.16 0.35 3.88 5.04 -1.26 -5.03 115.29 123.76 2kk1 s HIS 6 Ca 0.31 0.88 0.03 0.00 -1.54 0.00 0.00 55.06 54.75 2kk1 s HIS 6 Cb -0.05 -3.44 -0.04 0.00 0.04 0.00 0.00 32.58 29.08 2kk1 s HIS 6 CO -0.09 -0.69 0.12 -3.38 -2.34 0.00 0.00 174.74 168.36 2kk1 s HIS 7 N 3.25 1.76 0.45 3.88 0.00 -1.26 -5.16 115.29 118.21 2kk1 s HIS 7 Ca 0.37 -1.22 -0.09 0.00 -3.00 0.00 0.00 55.06 51.12 2kk1 s HIS 7 Cb -0.13 -1.09 -0.05 0.00 -4.00 0.00 0.00 32.58 27.31 2kk1 s HIS 7 CO 0.15 -0.29 0.80 -1.01 -1.00 0.00 0.00 174.74 173.39 2kk1 s HIS 8 N -3.38 3.51 0.06 0.38 0.09 -1.26 -5.10 115.29 109.59 2kk1 s HIS 8 Ca 0.31 1.01 0.01 0.00 -0.00 0.00 0.00 55.06 56.39 2kk1 s HIS 8 Cb 0.05 -2.43 -0.00 0.00 -0.00 0.00 0.00 32.58 30.19 2kk1 s HIS 8 CO 0.15 -0.22 0.06 0.45 -0.00 0.00 0.00 174.74 175.18 2kk1 n SER 9 N -1.73 -0.14 -4.64 1.40 2.88 -1.26 -5.11 113.62 105.03 2kk1 n SER 9 Ca 0.02 -1.37 -0.42 0.00 -1.33 0.00 0.00 58.87 55.77 2kk1 n SER 9 Cb 0.54 0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 2kk1 n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2kk1 s HIS 10 N -2.67 1.37 -0.38 0.66 0.00 -1.26 -4.96 115.29 108.06 2kk1 s HIS 10 Ca 0.07 0.01 0.01 0.00 -3.00 0.00 0.00 55.06 52.14 2kk1 s HIS 10 Cb 0.00 -4.10 0.13 0.00 -4.00 0.00 0.00 32.58 24.62 2kk1 s HIS 10 CO 0.05 -4.71 0.21 0.00 -1.00 0.00 0.00 174.74 169.29 2kk1 s MET 11 N 5.07 0.80 -0.35 -0.38 0.00 -1.26 -5.10 119.30 118.07 2kk1 s MET 11 Ca 0.89 -1.51 -0.19 0.00 0.00 0.00 0.00 55.69 54.88 2kk1 s MET 11 Cb -0.37 -1.69 -0.00 0.00 0.00 0.00 0.00 34.83 32.77 2kk1 s MET 11 CO 0.37 -1.17 0.55 0.00 0.00 0.00 0.00 175.02 174.77 2kk1 s ALA 12 N 0.89 3.48 0.29 3.16 0.00 -1.26 -5.04 121.76 123.28 2kk1 s ALA 12 Ca 0.17 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2kk1 s ALA 12 Cb -0.23 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2kk1 s ALA 12 CO -0.02 -1.23 1.36 0.27 0.00 0.00 0.00 175.76 176.14 2kk1 n ASN 13 N 5.82 2.80 0.00 0.00 0.23 -1.26 -4.99 115.26 117.87 2kk1 n ASN 13 Ca -0.04 1.17 0.00 0.00 -0.53 0.00 0.00 54.58 55.19 2kk1 n ASN 13 Cb 0.49 -1.46 0.00 0.00 -2.08 0.00 0.00 39.78 36.73 2kk1 n ASN 13 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kk1 n GLY 14 N 1.52 0.67 3.72 4.83 0.00 -1.26 -5.06 105.19 109.61 2kk1 n GLY 14 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 s ALA 15 N -3.11 3.35 0.28 4.61 0.00 -1.26 -5.07 121.76 120.55 2kk1 s ALA 15 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 2kk1 s ALA 15 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 2kk1 s ALA 15 CO 0.00 -0.08 0.60 0.00 0.00 0.00 0.00 175.76 176.28 2kk1 s ALA 16 N 0.70 3.52 0.00 0.00 0.00 -1.26 -4.79 121.76 119.93 2kk1 s ALA 16 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2kk1 s ALA 16 Cb -0.18 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2kk1 s ALA 16 CO 0.18 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2kk1 n GLY 17 N -0.50 -0.12 0.33 0.00 0.00 -1.26 -4.82 105.19 98.82 2kk1 n GLY 17 Ca 0.01 -0.34 0.16 0.00 0.00 0.00 0.00 46.02 45.85 2kk1 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk1 h THR 18 N 0.00 0.60 -0.20 2.61 2.02 -2.00 -0.54 112.91 115.40 2kk1 h THR 18 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2kk1 h THR 18 Cb 0.00 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2kk1 h THR 18 CO 0.00 0.00 0.20 0.07 0.37 0.00 0.00 175.52 176.16 2kk1 h LYS 19 N 0.00 0.00 0.00 6.66 2.10 -1.98 -3.07 116.57 120.28 2kk1 h LYS 19 Ca 0.11 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.67 2kk1 h LYS 19 Cb 0.52 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.67 2kk1 h LYS 19 CO -0.00 0.00 -0.71 1.55 -2.00 0.00 0.00 179.45 178.29 2kk1 n VAL 20 N -3.95 0.43 0.00 0.07 3.14 -0.25 -4.96 118.33 112.81 2kk1 n VAL 20 Ca 0.02 -1.05 0.00 0.00 -2.96 0.00 0.00 64.34 60.35 2kk1 n VAL 20 Cb 0.33 0.58 0.00 0.00 -1.06 0.00 0.00 33.84 33.69 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kk1 n ALA 21 N -0.03 0.00 -1.16 1.55 0.00 -0.97 -3.66 120.51 116.24 2kk1 n ALA 21 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 2kk1 n ALA 21 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 2kk1 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kk1 n LEU 22 N -0.42 6.92 -3.01 0.00 4.77 -1.26 -4.58 117.00 119.41 2kk1 n LEU 22 Ca 0.00 -3.74 0.03 0.00 -0.03 0.00 0.00 56.01 52.27 2kk1 n LEU 22 Cb 0.00 -1.38 -0.00 0.00 -2.33 0.00 0.00 43.42 39.71 2kk1 n LEU 22 CO 0.00 1.29 0.34 -0.60 -1.33 0.00 0.00 177.39 177.09 2kk1 s ARG 23 N 2.92 0.38 0.14 3.23 3.52 -1.24 -5.05 118.95 122.85 2kk1 s ARG 23 Ca 0.56 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.17 2kk1 s ARG 23 Cb 0.15 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.62 2kk1 s ARG 23 CO -0.04 -0.59 0.00 1.63 -0.81 0.00 0.00 175.30 175.48 2kk1 n LYS 24 N 4.41 0.00 -3.98 5.12 4.76 -1.26 -4.82 118.16 122.38 2kk1 n LYS 24 Ca 0.08 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.25 2kk1 n LYS 24 Cb 0.59 -0.24 -0.04 0.00 -1.84 0.00 0.00 35.03 33.51 2kk1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kk1 s THR 25 N -2.00 5.10 0.35 -0.18 -1.32 -1.26 -5.13 115.64 111.21 2kk1 s THR 25 Ca 0.00 -0.76 0.04 0.00 -1.21 0.00 0.00 61.69 59.77 2kk1 s THR 25 Cb 0.00 -3.61 0.04 0.00 -1.51 0.00 0.00 72.50 67.43 2kk1 s THR 25 CO 0.00 -0.07 0.36 0.29 -2.21 0.00 0.00 174.62 172.99 2kk1 n LYS 26 N -0.39 0.89 0.00 7.08 5.02 -1.26 -5.11 118.16 124.38 2kk1 n LYS 26 Ca -0.07 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2kk1 n LYS 26 Cb 0.54 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 2kk1 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kk1 n GLN 27 N -1.51 0.00 -4.31 1.97 10.64 -1.26 -5.15 117.38 117.76 2kk1 n GLN 27 Ca 0.04 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 2kk1 n GLN 27 Cb 0.38 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.62 2kk1 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kk1 s ALA 28 N -1.94 0.68 0.02 2.61 0.00 -1.26 -5.03 121.76 116.84 2kk1 s ALA 28 Ca 0.00 -0.37 0.27 0.00 0.00 0.00 0.00 51.96 51.85 2kk1 s ALA 28 Cb 0.00 -0.17 1.45 0.00 0.00 0.00 0.00 23.12 24.40 2kk1 s ALA 28 CO 0.00 0.16 1.81 0.00 0.00 0.00 0.00 175.76 177.73 2kk1 h ALA 29 N 5.88 1.01 -0.56 0.00 0.00 -2.01 -0.40 119.26 123.19 2kk1 h ALA 29 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2kk1 h ALA 29 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kk1 h ALA 29 CO 0.49 -0.01 -0.08 0.93 0.00 0.00 0.00 179.25 180.58 2kk1 h GLU 30 N 0.00 1.05 0.07 0.00 3.07 -2.02 -3.29 114.58 113.46 2kk1 h GLU 30 Ca 0.00 -0.37 -0.35 0.00 -0.50 0.00 0.00 59.36 58.14 2kk1 h GLU 30 Cb 0.03 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 2kk1 h GLU 30 CO 0.00 1.07 -1.97 1.17 -1.40 0.00 0.00 179.01 177.87 2kk1 n LYS 31 N -4.16 0.71 -1.96 2.33 0.00 -0.30 -4.89 118.16 109.88 2kk1 n LYS 31 Ca 0.02 0.25 -0.42 0.00 0.00 0.00 0.00 58.31 58.15 2kk1 n LYS 31 Cb 0.39 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.68 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kk1 s ILE 32 N -2.56 3.48 -0.02 3.15 1.01 -0.36 -4.90 121.20 121.01 2kk1 s ILE 32 Ca -0.17 0.60 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 2kk1 s ILE 32 Cb 0.07 -3.39 -0.27 0.00 0.01 0.00 0.00 42.46 38.88 2kk1 s ILE 32 CO 0.77 -0.05 0.77 -1.28 0.00 0.00 0.00 174.94 175.15 2kk1 h SER 33 N 9.62 0.35 0.08 3.58 0.87 -1.90 -3.35 113.55 122.79 2kk1 h SER 33 Ca -0.41 -0.54 0.02 0.00 -1.23 0.00 0.00 61.79 59.63 2kk1 h SER 33 Cb 1.19 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 2kk1 h SER 33 CO 0.95 1.46 -0.52 0.00 -0.53 0.00 0.00 176.83 178.19 2kk1 h ALA 34 N 0.49 -0.95 0.00 6.23 0.00 -1.90 -0.08 119.26 123.05 2kk1 h ALA 34 Ca -0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kk1 h ALA 34 Cb 2.02 0.89 0.00 0.00 0.00 0.00 0.00 17.79 20.70 2kk1 h ALA 34 CO 0.14 -1.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.04 2kk1 n ASP 35 N -5.48 0.00 0.04 0.00 9.92 -1.26 -1.71 116.55 118.07 2kk1 n ASP 35 Ca -0.08 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.20 2kk1 n ASP 35 Cb 0.41 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.53 2kk1 n ASP 35 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kk1 h LYS 36 N 0.00 0.00 -5.88 -1.24 3.11 -1.20 -3.46 116.57 107.90 2kk1 h LYS 36 Ca 0.00 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.30 2kk1 h LYS 36 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2kk1 h LYS 36 CO 0.00 0.43 1.52 0.42 -2.81 0.00 0.00 179.45 179.02 2kk1 s ILE 37 N -2.84 3.05 0.28 2.00 -1.09 -0.50 -4.96 121.20 117.14 2kk1 s ILE 37 Ca -0.02 0.05 -0.18 0.00 -2.23 0.00 0.00 60.65 58.27 2kk1 s ILE 37 Cb 0.08 -3.09 -0.09 0.00 -1.58 0.00 0.00 42.46 37.79 2kk1 s ILE 37 CO 0.80 -0.07 0.75 -0.44 -1.23 0.00 0.00 174.94 174.76 2kk1 s SER 38 N 9.50 6.94 0.17 3.58 0.01 -1.26 -4.94 113.70 127.71 2kk1 s SER 38 Ca 0.97 1.40 -0.14 0.00 1.31 0.00 0.00 55.95 59.48 2kk1 s SER 38 Cb -0.26 -2.41 0.13 0.00 0.21 0.00 0.00 66.02 63.69 2kk1 s SER 38 CO 0.31 -0.10 1.73 0.50 0.41 0.00 0.00 173.24 176.10 2kk1 h LYS 39 N 2.82 0.26 -0.85 12.44 3.11 -2.00 -1.41 116.57 130.94 2kk1 h LYS 39 Ca -0.48 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.35 2kk1 h LYS 39 Cb 1.18 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.31 2kk1 h LYS 39 CO 0.65 0.17 0.55 1.05 -2.81 0.00 0.00 179.45 179.06 2kk1 h GLU 40 N 0.26 1.12 -0.34 1.90 4.11 -2.00 -2.75 114.58 116.89 2kk1 h GLU 40 Ca 0.21 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 2kk1 h GLU 40 Cb 0.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kk1 h GLU 40 CO -0.25 0.75 0.14 0.00 0.07 0.00 0.00 179.01 179.72 2kk1 h ALA 41 N 1.30 0.44 -0.65 1.06 0.00 -1.73 -1.10 119.26 118.59 2kk1 h ALA 41 Ca 0.31 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2kk1 h ALA 41 Cb -0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2kk1 h ALA 41 CO -0.07 0.03 0.37 1.25 0.00 0.00 0.00 179.25 180.84 2kk1 h LEU 42 N 0.41 0.57 0.00 0.00 6.46 -1.21 -1.93 115.31 119.60 2kk1 h LEU 42 Ca 0.11 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2kk1 h LEU 42 Cb 0.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2kk1 h LEU 42 CO -0.01 0.38 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.11 2kk1 h LEU 43 N 0.70 -0.00 -0.90 2.25 3.38 -1.17 -1.28 115.31 118.30 2kk1 h LEU 43 Ca 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2kk1 h LEU 43 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kk1 h LEU 43 CO -0.16 0.22 -0.00 1.05 0.09 0.00 0.00 178.44 179.64 2kk1 h GLU 44 N -0.22 0.81 -0.35 1.13 4.11 -1.09 0.36 114.58 119.34 2kk1 h GLU 44 Ca -0.00 -0.22 -0.13 0.00 0.07 0.00 0.00 59.36 59.08 2kk1 h GLU 44 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2kk1 h GLU 44 CO 0.00 0.82 -0.29 0.00 0.07 0.00 0.00 179.01 179.60 2kk1 h ALA 46 N 1.05 0.90 -0.54 0.00 0.00 -0.70 -2.99 119.26 116.97 2kk1 h ALA 46 Ca 0.07 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2kk1 h ALA 46 Cb 0.81 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2kk1 h ALA 46 CO 0.07 0.63 0.36 0.22 0.00 0.00 0.00 179.25 180.53 2kk1 h ASP 47 N 0.42 0.35 -0.61 0.00 1.82 -0.09 -1.64 116.42 116.66 2kk1 h ASP 47 Ca 0.04 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.75 2kk1 h ASP 47 Cb 0.89 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.77 2kk1 h ASP 47 CO 0.08 0.22 0.30 -0.07 -1.61 0.00 0.00 179.24 178.16 2kk1 h LEU 48 N 0.39 0.41 -0.06 2.28 3.38 -1.35 0.17 115.31 120.53 2kk1 h LEU 48 Ca 0.24 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2kk1 h LEU 48 Cb 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kk1 h LEU 48 CO -0.06 0.26 -0.00 -0.07 0.09 0.00 0.00 178.44 178.66 2kk1 h LEU 49 N 0.56 0.11 -0.17 1.67 4.07 -1.43 0.11 115.31 120.23 2kk1 h LEU 49 Ca 0.29 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.95 2kk1 h LEU 49 Cb 0.24 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2kk1 h LEU 49 CO -0.21 0.41 -0.02 -1.28 -1.08 0.00 0.00 178.44 176.26 2kk1 h SER 50 N -0.19 -0.11 -0.36 -0.43 0.87 -1.24 -0.71 113.55 111.39 2kk1 h SER 50 Ca 0.02 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2kk1 h SER 50 Cb 0.36 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2kk1 h SER 50 CO 0.00 -0.03 0.08 0.28 -0.53 0.00 0.00 176.83 176.63 2kk1 h SER 51 N 0.03 0.55 -0.37 6.23 0.02 -0.68 -2.96 113.55 116.38 2kk1 h SER 51 Ca 0.08 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2kk1 h SER 51 Cb 0.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2kk1 h SER 51 CO -0.16 0.65 0.20 0.00 -1.14 0.00 0.00 176.83 176.38 2kk1 h ALA 52 N 0.92 1.60 0.00 3.77 0.00 -0.56 -1.96 119.26 123.03 2kk1 h ALA 52 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kk1 h ALA 52 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kk1 h ALA 52 CO 0.00 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2kk1 n LEU 53 N -4.42 0.00 -0.43 0.00 4.77 -0.29 -2.11 117.00 114.53 2kk1 n LEU 53 Ca 0.03 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 2kk1 n LEU 53 Cb 0.11 -0.45 0.53 0.00 -2.33 0.00 0.00 43.42 41.29 2kk1 n LEU 53 CO 0.36 -0.15 0.86 0.35 -1.33 0.00 0.00 177.39 177.49 2kk1 n THR 54 N -1.45 0.00 -4.05 -5.08 -2.24 -0.74 -4.90 114.28 95.83 2kk1 n THR 54 Ca 0.06 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2kk1 n THR 54 Cb 0.21 0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 2kk1 n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kk1 s GLU 55 N -2.05 0.81 -0.05 -0.78 -1.05 -0.89 -5.13 118.70 109.56 2kk1 s GLU 55 Ca 0.37 -1.23 -0.30 0.00 -0.15 0.00 0.00 54.97 53.66 2kk1 s GLU 55 Cb 0.21 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 2kk1 s GLU 55 CO 0.36 -0.22 1.53 -1.25 0.95 0.00 0.00 175.26 176.63 2kk1 s PRO 56 N -3.95 4.21 0.02 -4.83 0.04 -1.26 -4.73 135.00 124.49 2kk1 s PRO 56 Ca 0.13 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 2kk1 s PRO 56 Cb 0.07 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.77 2kk1 s PRO 56 CO -0.05 -0.75 0.06 0.14 0.04 0.00 0.00 177.00 176.43 2kk1 s VAL 57 N 3.46 0.11 0.02 -0.36 -7.23 -1.26 -5.02 120.40 110.12 2kk1 s VAL 57 Ca 0.68 -0.92 -0.32 0.00 -1.81 0.00 0.00 61.98 59.61 2kk1 s VAL 57 Cb -0.32 -0.53 -0.11 0.00 0.56 0.00 0.00 36.38 35.99 2kk1 s VAL 57 CO 0.27 -0.51 1.88 -0.81 -0.31 0.00 0.00 175.10 175.62 2kk1 n PRO 58 N 1.28 2.56 0.05 4.82 -0.04 -1.26 -3.44 135.00 138.96 2kk1 n PRO 58 Ca -0.22 0.93 0.17 0.00 -0.04 0.00 0.00 63.50 64.35 2kk1 n PRO 58 Cb 0.56 -2.83 0.67 0.00 -0.04 0.00 0.00 33.50 31.87 2kk1 n PRO 58 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kk1 h ASN 59 N 9.32 0.02 -0.78 3.54 4.21 -0.90 0.26 115.58 131.25 2kk1 h ASN 59 Ca -0.48 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.01 2kk1 h ASN 59 Cb 1.25 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.41 2kk1 h ASN 59 CO 0.94 0.01 0.41 0.28 -1.29 0.00 0.00 177.43 177.78 2kk1 h SER 60 N 0.02 1.01 -0.78 5.81 0.02 -1.90 -2.12 113.55 115.61 2kk1 h SER 60 Ca 0.20 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2kk1 h SER 60 Cb 0.78 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2kk1 h SER 60 CO -0.01 0.83 0.39 -0.61 -1.14 0.00 0.00 176.83 176.29 2kk1 h GLN 61 N 1.12 1.11 0.05 3.45 4.15 -0.85 -0.04 115.11 124.09 2kk1 h GLN 61 Ca 0.28 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.55 2kk1 h GLN 61 Cb 0.07 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2kk1 h GLN 61 CO -0.04 0.85 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.57 2kk1 h LEU 62 N 1.09 -0.17 -0.50 -2.39 3.38 -1.13 0.91 115.31 116.50 2kk1 h LEU 62 Ca 0.27 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2kk1 h LEU 62 Cb 0.09 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2kk1 h LEU 62 CO -0.04 -0.10 0.33 0.58 0.09 0.00 0.00 178.44 179.30 2kk1 h VAL 63 N -0.14 1.12 -0.33 1.22 2.07 -1.19 -0.81 116.25 118.20 2kk1 h VAL 63 Ca 0.01 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 63 Cb 0.14 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2kk1 h VAL 63 CO -0.03 0.12 0.09 -0.78 0.02 0.00 0.00 177.57 176.99 2kk1 h ASP 64 N 0.67 0.48 -0.37 0.57 3.58 -0.80 -1.64 116.42 118.91 2kk1 h ASP 64 Ca 0.19 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2kk1 h ASP 64 Cb -0.07 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2kk1 h ASP 64 CO -0.05 0.57 0.11 0.74 -2.88 0.00 0.00 179.24 177.73 2kk1 h THR 65 N 0.37 1.19 0.00 2.25 2.02 -0.72 -2.14 112.91 115.88 2kk1 h THR 65 Ca 0.10 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 2kk1 h THR 65 Cb 0.27 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2kk1 h THR 65 CO -0.00 0.25 -0.23 1.23 0.37 0.00 0.00 175.52 177.14 2kk1 h GLY 66 N 0.85 0.00 0.53 2.16 0.00 -0.71 -3.21 103.07 102.70 2kk1 h GLY 66 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.54 2kk1 h GLY 66 CO -0.00 0.00 0.12 0.45 0.00 0.00 0.00 176.54 177.11 2kk1 h HIS 67 N 0.00 0.21 -0.30 5.60 -0.00 -0.61 -1.74 115.15 118.30 2kk1 h HIS 67 Ca -0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 2kk1 h HIS 67 Cb 0.57 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 2kk1 h HIS 67 CO 0.00 0.05 -0.06 -0.56 -0.00 0.00 0.00 177.93 177.36 2kk1 h GLN 68 N 0.27 0.49 -0.36 2.45 3.07 -1.67 -2.31 115.11 117.05 2kk1 h GLN 68 Ca 0.21 -0.12 0.02 0.00 0.09 0.00 0.00 58.65 58.85 2kk1 h GLN 68 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 2kk1 h GLN 68 CO -0.24 0.56 0.24 -0.07 0.09 0.00 0.00 178.83 179.41 2kk1 h LEU 69 N 0.46 0.36 -1.09 0.06 -0.00 -1.41 -0.12 115.31 113.56 2kk1 h LEU 69 Ca 0.09 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 2kk1 h LEU 69 Cb 0.40 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2kk1 h LEU 69 CO 0.02 0.25 0.02 -0.07 -0.00 0.00 0.00 178.44 178.66 2kk1 h LEU 70 N 0.42 0.63 -0.01 1.67 -0.00 -1.00 0.76 115.31 117.78 2kk1 h LEU 70 Ca 0.14 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2kk1 h LEU 70 Cb 0.05 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2kk1 h LEU 70 CO -0.03 0.69 -0.01 -0.78 -0.00 0.00 0.00 178.44 178.31 2kk1 h ASP 71 N 0.64 0.02 -0.17 -0.43 3.58 -1.05 0.14 116.42 119.14 2kk1 h ASP 71 Ca 0.13 -0.42 0.05 0.00 0.42 0.00 0.00 57.03 57.21 2kk1 h ASP 71 Cb 0.36 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 2kk1 h ASP 71 CO 0.01 0.44 -0.18 1.88 -2.88 0.00 0.00 179.24 178.50 2kk1 h TYR 72 N -0.39 -0.48 0.01 0.28 0.05 -1.05 -1.78 116.97 113.61 2kk1 h TYR 72 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2kk1 h TYR 72 Cb 0.43 0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2kk1 h TYR 72 CO 0.07 -0.26 -0.01 0.00 -1.05 0.00 0.00 178.16 176.91 2kk1 h SER 74 N -0.18 0.96 0.41 0.00 0.87 -0.85 0.70 113.55 115.45 2kk1 h SER 74 Ca -0.00 0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.30 2kk1 h SER 74 Cb 0.17 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2kk1 h SER 74 CO 0.00 0.60 -1.22 1.23 -0.53 0.00 0.00 176.83 176.92 2kk1 h GLY 75 N 1.09 0.47 1.13 5.77 0.00 -1.26 -3.37 103.07 106.89 2kk1 h GLY 75 Ca 0.42 -1.06 -0.22 0.00 0.00 0.00 0.00 47.33 46.47 2kk1 h GLY 75 CO -0.19 0.93 -0.80 -1.82 0.00 0.00 0.00 176.54 174.67 2kk1 h TYR 76 N 0.16 1.01 -0.73 5.60 3.20 -0.44 -3.34 116.97 122.43 2kk1 h TYR 76 Ca -0.15 -0.47 -0.03 0.00 3.14 0.00 0.00 58.73 61.22 2kk1 h TYR 76 Cb 1.91 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 40.00 2kk1 h TYR 76 CO 0.08 1.30 0.35 -0.24 -1.64 0.00 0.00 178.16 178.02 2kk1 h VAL 77 N 0.43 1.24 0.00 1.81 3.04 -1.03 -0.05 116.25 121.69 2kk1 h VAL 77 Ca -0.07 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2kk1 h VAL 77 Cb 1.44 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2kk1 h VAL 77 CO 0.16 0.28 0.00 0.47 -1.01 0.00 0.00 177.57 177.47 2kk1 n ASP 78 N -4.41 0.00 -0.65 3.17 8.00 -1.26 -1.97 116.55 119.44 2kk1 n ASP 78 Ca 0.06 -0.69 0.12 0.00 0.71 0.00 0.00 54.79 54.99 2kk1 n ASP 78 Cb 0.13 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 2kk1 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kk1 s ILE 80 N -2.28 4.53 0.35 0.00 1.01 -0.83 -4.93 121.20 119.05 2kk1 s ILE 80 Ca 0.24 0.54 0.17 0.00 0.00 0.00 0.00 60.65 61.60 2kk1 s ILE 80 Cb 0.19 -4.41 0.15 0.00 0.01 0.00 0.00 42.46 38.41 2kk1 s ILE 80 CO 0.45 -0.83 1.88 -0.65 0.00 0.00 0.00 174.94 175.79 2kk1 h PRO 81 N 9.08 0.00 -6.07 2.79 0.11 -1.90 -3.40 132.00 132.61 2kk1 h PRO 81 Ca -0.25 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.28 2kk1 h PRO 81 Cb 1.08 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 2kk1 h PRO 81 CO 1.01 0.30 1.18 -0.65 -0.21 0.00 0.00 178.00 179.63 2kk1 s GLN 82 N -4.11 3.38 0.46 1.05 1.11 -1.26 -4.87 119.66 115.42 2kk1 s GLN 82 Ca -0.02 -0.79 0.19 0.00 0.01 0.00 0.00 55.36 54.76 2kk1 s GLN 82 Cb 0.14 -4.74 1.16 0.00 -1.01 0.00 0.00 33.01 28.56 2kk1 s GLN 82 CO 0.68 -2.12 1.92 1.15 0.01 0.00 0.00 175.29 176.93 2kk1 h THR 83 N 6.34 0.74 -0.63 -0.19 2.02 -1.98 0.20 112.91 119.41 2kk1 h THR 83 Ca -0.04 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2kk1 h THR 83 Cb 1.03 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2kk1 h THR 83 CO 1.32 0.05 0.32 0.03 0.37 0.00 0.00 175.52 177.62 2kk1 h ARG 84 N 0.30 0.89 -0.15 6.66 2.47 -1.96 0.15 114.38 122.73 2kk1 h ARG 84 Ca 0.37 -0.12 -0.22 0.00 -1.26 0.00 0.00 59.98 58.76 2kk1 h ARG 84 Cb 1.03 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 29.19 2kk1 h ARG 84 CO -0.10 0.69 -0.76 -0.91 0.56 0.00 0.00 179.97 179.45 2kk1 h ASN 85 N 0.86 0.90 -0.76 7.04 4.21 -1.49 -3.02 115.58 123.31 2kk1 h ASN 85 Ca 0.22 -0.58 0.01 0.00 1.21 0.00 0.00 56.30 57.15 2kk1 h ASN 85 Cb 0.08 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 36.97 2kk1 h ASN 85 CO -0.03 1.38 0.50 0.50 -1.29 0.00 0.00 177.43 178.49 2kk1 h LYS 86 N 0.52 1.00 0.33 0.81 3.64 -0.36 0.13 116.57 122.66 2kk1 h LYS 86 Ca -0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2kk1 h LYS 86 Cb 1.38 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2kk1 h LYS 86 CO 0.15 0.66 -0.16 0.35 -2.27 0.00 0.00 179.45 178.19 2kk1 h PHE 87 N 1.03 -0.41 -0.79 1.91 3.57 -0.78 0.20 116.94 121.68 2kk1 h PHE 87 Ca 0.28 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2kk1 h PHE 87 Cb -0.12 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 2kk1 h PHE 87 CO -0.02 -0.14 0.51 0.00 -2.23 0.00 0.00 178.31 176.44 2kk1 h ALA 88 N -0.06 1.66 -0.26 2.41 0.00 -1.40 0.38 119.26 121.99 2kk1 h ALA 88 Ca -0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kk1 h ALA 88 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kk1 h ALA 88 CO 0.08 0.21 -0.06 0.35 0.00 0.00 0.00 179.25 179.82 2kk1 h PHE 89 N 0.82 0.56 -0.23 0.00 3.04 -0.59 -2.43 116.94 118.11 2kk1 h PHE 89 Ca 0.34 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 2kk1 h PHE 89 Cb 0.27 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 2kk1 h PHE 89 CO -0.00 0.71 0.07 0.00 -2.02 0.00 0.00 178.31 177.08 2kk1 h ARG 90 N 0.25 0.36 -0.85 1.11 2.47 0.24 -1.16 114.38 116.80 2kk1 h ARG 90 Ca 0.07 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2kk1 h ARG 90 Cb 0.53 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 2kk1 h ARG 90 CO 0.03 0.44 0.47 1.05 0.56 0.00 0.00 179.97 182.52 2kk1 h GLU 91 N 0.21 1.19 -0.11 0.04 4.11 -1.01 0.35 114.58 119.35 2kk1 h GLU 91 Ca 0.08 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 59.38 2kk1 h GLU 91 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kk1 h GLU 91 CO -0.00 0.87 0.01 0.00 0.07 0.00 0.00 179.01 179.96 2kk1 h ALA 92 N 1.25 0.10 -0.52 1.06 0.00 -1.28 -2.24 119.26 117.63 2kk1 h ALA 92 Ca 0.30 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2kk1 h ALA 92 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kk1 h ALA 92 CO -0.05 -0.45 0.17 0.28 0.00 0.00 0.00 179.25 179.20 2kk1 h VAL 93 N 0.05 1.20 -0.17 0.00 2.07 -0.82 -2.15 116.25 116.43 2kk1 h VAL 93 Ca 0.05 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2kk1 h VAL 93 Cb 0.05 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2kk1 h VAL 93 CO -0.08 0.26 0.12 0.28 0.02 0.00 0.00 177.57 178.17 2kk1 h SER 94 N 0.75 0.03 0.01 0.57 0.02 0.19 -0.32 113.55 114.79 2kk1 h SER 94 Ca 0.17 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.97 2kk1 h SER 94 Cb 0.20 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2kk1 h SER 94 CO -0.01 0.02 -0.59 0.11 -1.14 0.00 0.00 176.83 175.22 2kk1 h LYS 95 N 0.03 0.39 -0.06 3.45 6.56 -0.85 -3.27 116.57 122.83 2kk1 h LYS 95 Ca 0.08 -0.43 0.03 0.00 -1.06 0.00 0.00 60.65 59.27 2kk1 h LYS 95 Cb 0.27 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 2kk1 h LYS 95 CO -0.00 1.10 -0.12 1.25 -2.06 0.00 0.00 179.45 179.61 2kk1 h LEU 96 N -0.14 -0.37 -0.70 2.94 5.85 -0.56 0.33 115.31 122.65 2kk1 h LEU 96 Ca -0.08 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2kk1 h LEU 96 Cb 1.31 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 2kk1 h LEU 96 CO 0.12 -0.17 0.43 1.05 -0.34 0.00 0.00 178.44 179.53 2kk1 h GLU 97 N -0.18 0.82 -0.19 1.25 4.11 -1.29 -0.68 114.58 118.42 2kk1 h GLU 97 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2kk1 h GLU 97 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kk1 h GLU 97 CO -0.16 0.54 0.07 -0.07 0.07 0.00 0.00 179.01 179.46 2kk1 h LEU 98 N 0.85 0.27 -0.64 3.06 3.38 -1.53 -2.32 115.31 118.38 2kk1 h LEU 98 Ca 0.28 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2kk1 h LEU 98 Cb 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2kk1 h LEU 98 CO -0.11 0.37 0.42 0.28 0.09 0.00 0.00 178.44 179.49 2kk1 h SER 99 N 0.16 0.73 -0.43 -0.43 0.02 -0.57 -1.16 113.55 111.86 2kk1 h SER 99 Ca 0.06 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2kk1 h SER 99 Cb 0.19 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2kk1 h SER 99 CO -0.00 0.52 0.11 -0.07 -1.14 0.00 0.00 176.83 176.25 2kk1 h LEU 100 N 0.86 0.66 -0.71 5.07 3.38 -1.09 0.21 115.31 123.68 2kk1 h LEU 100 Ca 0.24 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2kk1 h LEU 100 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2kk1 h LEU 100 CO -0.06 0.72 -0.60 0.06 0.09 0.00 0.00 178.44 178.65 2kk1 h GLN 101 N 0.57 0.15 0.00 1.13 3.07 -1.21 -2.38 115.11 116.44 2kk1 h GLN 101 Ca 0.14 -0.11 -0.19 0.00 0.09 0.00 0.00 58.65 58.58 2kk1 h GLN 101 Cb 0.32 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.87 2kk1 h GLN 101 CO 0.00 0.71 -0.92 1.05 0.09 0.00 0.00 178.83 179.76 2kk1 h GLU 102 N 0.11 0.00 0.07 0.06 4.11 -1.15 -3.32 114.58 114.46 2kk1 h GLU 102 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kk1 h GLU 102 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kk1 h GLU 102 CO 0.09 0.92 -0.03 1.25 0.07 0.00 0.00 179.01 181.30 2kk1 h LEU 103 N 0.00 -0.08 -2.14 3.06 5.85 -0.81 -0.90 115.31 120.29 2kk1 h LEU 103 Ca -0.01 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2kk1 h LEU 103 Cb 1.69 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 2kk1 h LEU 103 CO 0.12 0.27 0.30 0.06 -0.34 0.00 0.00 178.44 178.85 2kk1 h GLN 104 N -0.43 0.00 -0.01 1.25 3.07 -1.56 0.74 115.11 118.17 2kk1 h GLN 104 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2kk1 h GLN 104 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 2kk1 h GLN 104 CO 0.01 0.00 -0.61 1.33 0.09 0.00 0.00 178.83 179.66 2kk1 n VAL 105 N -3.52 0.00 -0.59 1.86 0.24 -1.16 -4.51 118.33 110.64 2kk1 n VAL 105 Ca 0.02 -0.20 0.01 0.00 -2.04 0.00 0.00 64.34 62.14 2kk1 n VAL 105 Cb 0.42 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 33.90 2kk1 n VAL 105 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kk1 n SER 106 N -0.80 1.20 0.16 -1.34 7.64 0.25 -4.87 113.62 115.87 2kk1 n SER 106 Ca 0.05 -1.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.03 2kk1 n SER 106 Cb 0.32 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kk1 h SER 107 N 0.00 -0.80 0.00 6.43 4.64 0.14 -3.45 113.55 120.51 2kk1 h SER 107 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kk1 h SER 107 Cb 0.79 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2kk1 h SER 107 CO 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 176.83 175.56 2kk1 n ALA 108 N -2.61 0.00 0.32 5.18 0.00 -1.26 -3.98 120.51 118.16 2kk1 n ALA 108 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2kk1 n ALA 108 Cb 0.31 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.56 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 h ALA 109 N 0.00 1.29 0.00 0.00 0.00 -1.94 -3.45 119.26 115.16 2kk1 h ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk1 h ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kk1 h ALA 109 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2kk1 n ALA 110 N -1.87 0.00 -3.07 0.00 0.00 -1.26 -4.23 120.51 110.09 2kk1 n ALA 110 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2kk1 n ALA 110 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 2kk1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 111 N 0.00 2.78 2.85 0.00 0.00 -1.26 -0.19 105.19 109.36 2kk1 n GLY 111 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 2kk1 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk1 s VAL 112 N -1.65 0.27 0.41 1.61 1.01 -1.22 -4.35 120.40 116.48 2kk1 s VAL 112 Ca 0.35 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 2kk1 s VAL 112 Cb 0.32 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 36.27 2kk1 s VAL 112 CO -0.08 0.16 0.87 -2.16 0.00 0.00 0.00 175.10 173.89 2kk1 s PRO 113 N 0.87 4.07 0.00 2.72 0.04 -1.26 -4.29 135.00 137.16 2kk1 s PRO 113 Ca -0.10 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2kk1 s PRO 113 Cb -0.13 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2kk1 s PRO 113 CO -0.01 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2kk1 n GLY 114 N -0.78 1.05 0.40 0.56 0.00 -1.26 -4.78 105.19 100.38 2kk1 n GLY 114 Ca 0.05 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.36 2kk1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h THR 115 N 0.00 0.27 -3.32 2.61 1.03 -2.00 -3.37 112.91 108.13 2kk1 h THR 115 Ca 0.00 -0.08 -0.64 0.00 -0.01 0.00 0.00 66.41 65.68 2kk1 h THR 115 Cb 0.00 0.01 -0.20 0.00 -1.07 0.00 0.00 68.15 66.89 2kk1 h THR 115 CO 0.00 0.04 -0.65 0.20 -0.01 0.00 0.00 175.52 175.10 2kk1 s ASN 116 N -4.81 4.94 0.56 0.00 0.01 -1.26 -4.99 114.94 109.39 2kk1 s ASN 116 Ca -0.09 -0.07 0.27 0.00 -0.71 0.00 0.00 52.86 52.26 2kk1 s ASN 116 Cb 0.29 -1.75 1.50 0.00 0.41 0.00 0.00 41.25 41.70 2kk1 s ASN 116 CO 0.80 0.20 2.00 1.55 -1.51 0.00 0.00 177.10 180.14 2kk1 h PRO 117 N 6.50 0.00 -0.86 -0.60 0.13 -1.99 0.27 132.00 135.45 2kk1 h PRO 117 Ca -0.34 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.91 2kk1 h PRO 117 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2kk1 h PRO 117 CO 0.63 0.00 0.56 0.28 -0.23 0.00 0.00 178.00 179.23 2kk1 h VAL 118 N 0.00 0.88 -0.59 1.56 2.07 -1.94 -1.16 116.25 117.07 2kk1 h VAL 118 Ca 0.19 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2kk1 h VAL 118 Cb 0.88 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2kk1 h VAL 118 CO -0.00 0.13 0.03 -0.07 0.02 0.00 0.00 177.57 177.68 2kk1 h LEU 119 N 0.71 0.98 -1.03 2.57 3.38 -1.28 0.06 115.31 120.69 2kk1 h LEU 119 Ca 0.42 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2kk1 h LEU 119 Cb 0.62 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2kk1 h LEU 119 CO -0.18 1.01 0.20 0.78 0.09 0.00 0.00 178.44 180.34 2kk1 h ASN 120 N 0.93 0.82 -0.16 -0.43 2.35 -1.32 -1.59 115.58 116.19 2kk1 h ASN 120 Ca 0.18 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2kk1 h ASN 120 Cb 0.50 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2kk1 h ASN 120 CO 0.02 0.77 0.04 0.78 -1.65 0.00 0.00 177.43 177.39 2kk1 h ASN 121 N 0.87 0.25 -0.22 5.81 2.35 -0.72 -2.34 115.58 121.58 2kk1 h ASN 121 Ca 0.20 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2kk1 h ASN 121 Cb 0.23 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 2kk1 h ASN 121 CO -0.01 0.42 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.01 2kk1 h LEU 122 N 0.07 -0.36 -0.20 1.61 3.38 -0.74 0.25 115.31 119.33 2kk1 h LEU 122 Ca 0.05 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2kk1 h LEU 122 Cb 0.27 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2kk1 h LEU 122 CO 0.00 -0.14 -0.20 0.25 0.09 0.00 0.00 178.44 178.44 2kk1 h LEU 123 N -0.08 -0.64 -0.60 1.67 5.85 -1.27 0.82 115.31 121.06 2kk1 h LEU 123 Ca 0.12 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2kk1 h LEU 123 Cb 0.26 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2kk1 h LEU 123 CO -0.28 -0.24 0.38 -1.28 -0.34 0.00 0.00 178.44 176.68 2kk1 h SER 124 N -0.22 0.64 -0.21 1.25 0.87 -1.02 -2.18 113.55 112.68 2kk1 h SER 124 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2kk1 h SER 124 Cb 0.40 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2kk1 h SER 124 CO -0.33 0.46 0.07 0.00 -0.53 0.00 0.00 176.83 176.50 2kk1 h VAL 126 N 0.18 1.15 0.00 0.00 2.07 -0.79 0.52 116.25 119.39 2kk1 h VAL 126 Ca 0.07 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 2kk1 h VAL 126 Cb 0.21 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2kk1 h VAL 126 CO -0.00 0.16 -0.41 1.56 0.02 0.00 0.00 177.57 178.90 2kk1 h GLN 127 N 0.41 0.00 0.39 1.57 4.20 -1.34 -1.76 115.11 118.58 2kk1 h GLN 127 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2kk1 h GLN 127 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kk1 h GLN 127 CO -0.02 0.41 -0.19 1.49 -0.67 0.00 0.00 178.83 179.85 2kk1 h GLU 128 N 0.00 -0.50 0.13 1.46 4.57 -0.54 -2.45 114.58 117.25 2kk1 h GLU 128 Ca -0.00 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2kk1 h GLU 128 Cb 0.72 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 2kk1 h GLU 128 CO 0.05 -0.19 -0.37 0.82 -1.18 0.00 0.00 179.01 178.14 2kk1 h ILE 129 N -0.83 0.24 -0.79 2.32 2.04 -0.77 -0.50 117.51 119.22 2kk1 h ILE 129 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2kk1 h ILE 129 Cb 0.54 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2kk1 h ILE 129 CO 0.09 0.00 0.48 0.77 0.00 0.00 0.00 178.15 179.49 2kk1 h SER 130 N -0.60 0.75 -0.71 1.72 4.64 -1.45 -2.27 113.55 115.63 2kk1 h SER 130 Ca 0.03 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2kk1 h SER 130 Cb 0.63 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2kk1 h SER 130 CO -0.21 0.49 0.21 -0.78 -0.87 0.00 0.00 176.83 175.67 2kk1 h ASP 131 N 0.89 1.05 -1.01 4.97 3.58 -1.01 -2.63 116.42 122.26 2kk1 h ASP 131 Ca 0.34 -0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.64 2kk1 h ASP 131 Cb 0.15 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.86 2kk1 h ASP 131 CO -0.17 0.98 0.66 0.58 -2.88 0.00 0.00 179.24 178.41 2kk1 h VAL 132 N 1.07 1.13 0.00 2.25 2.07 -0.52 -0.26 116.25 121.99 2kk1 h VAL 132 Ca 0.23 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kk1 h VAL 132 Cb 0.31 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2kk1 h VAL 132 CO -0.01 0.22 0.00 0.52 0.02 0.00 0.00 177.57 178.33 2kk1 n VAL 133 N -4.47 0.88 0.68 2.57 0.31 -1.00 -2.00 118.33 115.29 2kk1 n VAL 133 Ca 0.15 0.40 0.10 0.00 -0.01 0.00 0.00 64.34 64.97 2kk1 n VAL 133 Cb 0.14 -1.36 0.11 0.00 -0.91 0.00 0.00 33.84 31.82 2kk1 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kk1 n GLN 134 N -2.29 1.90 0.00 5.55 6.02 -0.14 -5.12 117.38 123.30 2kk1 n GLN 134 Ca 0.01 -1.79 0.15 0.00 -0.01 0.00 0.00 57.00 55.35 2kk1 n GLN 134 Cb 0.17 -1.40 0.66 0.00 1.02 0.00 0.00 30.24 30.69 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59