#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzr s ARG 2 N 0.00 3.94 -0.07 -0.99 0.52 -1.26 -3.96 118.95 117.14 2kzr s ARG 2 Ca 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 55.73 52.78 2kzr s ARG 2 Cb 0.00 -4.95 -0.04 0.00 0.52 0.00 0.00 34.95 30.48 2kzr s ARG 2 CO 0.00 -1.70 0.03 0.08 0.02 0.00 0.00 175.30 173.73 2kzr s VAL 3 N 1.58 4.54 0.22 3.52 1.01 -0.17 -1.02 120.40 130.08 2kzr s VAL 3 Ca 0.38 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2kzr s VAL 3 Cb -0.04 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2kzr s VAL 3 CO -0.04 0.55 0.62 -0.13 0.00 0.00 0.00 175.10 176.10 2kzr s ARG 4 N -1.09 3.99 -0.15 2.72 0.52 -0.34 -0.38 118.95 124.22 2kzr s ARG 4 Ca 0.16 0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 55.90 2kzr s ARG 4 Cb -0.12 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.66 2kzr s ARG 4 CO 0.05 0.35 -0.02 0.00 0.02 0.00 0.00 175.30 175.70 2kzr s LYS 6 N 1.75 4.38 0.26 0.00 2.47 0.16 -1.50 119.74 127.26 2kzr s LYS 6 Ca 0.01 1.40 -0.09 0.00 -1.56 0.00 0.00 55.97 55.74 2kzr s LYS 6 Cb -0.15 -3.57 -0.01 0.00 -1.46 0.00 0.00 37.83 32.65 2kzr s LYS 6 CO -0.07 -0.39 0.43 0.00 0.16 0.00 0.00 175.35 175.48 2kzr s ALA 7 N 2.29 0.18 0.21 3.13 0.00 -1.00 -1.46 121.76 125.11 2kzr s ALA 7 Ca 0.48 -1.14 0.26 0.00 0.00 0.00 0.00 51.96 51.56 2kzr s ALA 7 Cb -0.18 1.13 1.13 0.00 0.00 0.00 0.00 23.12 25.20 2kzr s ALA 7 CO 0.16 -0.80 1.91 1.57 0.00 0.00 0.00 175.76 178.60 2kzr h LYS 8 N 2.27 0.00 -0.86 0.00 -0.00 -1.96 -1.91 116.57 114.11 2kzr h LYS 8 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.35 2kzr h LYS 8 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.47 2kzr h LYS 8 CO 0.39 0.17 0.02 0.41 -0.00 0.00 0.00 179.45 180.44 2kzr n GLY 9 N -0.09 2.12 0.00 0.07 0.00 -1.26 -5.01 105.19 101.02 2kzr n GLY 9 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2kzr n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kzr n GLY 10 N 0.21 1.01 3.62 -0.02 0.00 -0.72 -4.90 105.19 104.39 2kzr n GLY 10 Ca 0.11 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2kzr n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kzr s THR 11 N -1.58 4.78 0.55 2.61 2.01 -1.26 -2.38 115.64 120.36 2kzr s THR 11 Ca 0.00 1.35 0.08 0.00 0.31 0.00 0.00 61.69 63.43 2kzr s THR 11 Cb 0.00 -4.16 0.07 0.00 0.01 0.00 0.00 72.50 68.41 2kzr s THR 11 CO 0.00 -0.22 0.66 -1.00 -0.69 0.00 0.00 174.62 173.37 2kzr s HIS 12 N 2.99 1.58 -0.28 4.92 3.76 -0.56 -4.93 115.29 122.76 2kzr s HIS 12 Ca 0.34 -0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 2kzr s HIS 12 Cb -0.14 -2.13 0.13 0.00 1.11 0.00 0.00 32.58 31.54 2kzr s HIS 12 CO 0.11 -0.90 0.28 -1.17 -0.85 0.00 0.00 174.74 172.22 2kzr s LEU 13 N -4.53 -0.21 -0.39 0.89 0.20 -1.26 -1.38 118.68 112.00 2kzr s LEU 13 Ca 0.53 -0.68 -0.29 0.00 0.69 0.00 0.00 54.13 54.38 2kzr s LEU 13 Cb -0.05 0.49 0.02 0.00 -0.43 0.00 0.00 46.19 46.22 2kzr s LEU 13 CO 0.33 -0.38 1.15 -0.76 -0.29 0.00 0.00 176.35 176.40 2kzr s LEU 14 N 2.36 3.79 0.00 -0.68 1.02 0.49 -4.86 118.68 120.79 2kzr s LEU 14 Ca 0.09 0.83 0.19 0.00 0.02 0.00 0.00 54.13 55.26 2kzr s LEU 14 Cb -0.14 -3.55 -0.19 0.00 0.02 0.00 0.00 46.19 42.34 2kzr s LEU 14 CO -0.30 -1.09 0.85 0.00 0.02 0.00 0.00 176.35 175.83 2kzr n GLN 15 N 7.39 0.67 -0.84 1.70 6.02 -1.26 -1.00 117.38 130.06 2kzr n GLN 15 Ca 0.13 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 2kzr n GLN 15 Cb 0.48 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.32 2kzr n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kzr n GLY 16 N 1.45 3.50 3.18 1.08 0.00 -1.26 -4.42 105.19 108.72 2kzr n GLY 16 Ca 0.04 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2kzr n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzr s LEU 17 N -1.09 2.29 0.51 0.99 1.43 -1.25 -5.05 118.68 116.50 2kzr s LEU 17 Ca 0.27 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2kzr s LEU 17 Cb 0.19 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2kzr s LEU 17 CO -0.03 0.03 0.70 -0.94 0.23 0.00 0.00 176.35 176.34 2kzr s SER 18 N 1.14 5.36 0.49 2.29 1.04 -1.26 -0.89 113.70 121.85 2kzr s SER 18 Ca 0.01 -0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.24 2kzr s SER 18 Cb -0.14 -0.52 1.17 0.00 0.10 0.00 0.00 66.02 66.64 2kzr s SER 18 CO -0.07 -1.05 2.07 0.28 0.98 0.00 0.00 173.24 175.44 2kzr h SER 19 N 0.31 0.00 -0.45 7.02 0.02 -1.99 -2.77 113.55 115.68 2kzr h SER 19 Ca -0.39 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.33 2kzr h SER 19 Cb 1.29 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.69 2kzr h SER 19 CO 0.46 0.11 0.03 0.54 -1.14 0.00 0.00 176.83 176.83 2kzr n ARG 20 N -4.32 1.95 -2.21 3.45 5.12 -1.26 -3.14 116.66 116.25 2kzr n ARG 20 Ca -0.03 -3.16 -0.42 0.00 -1.93 0.00 0.00 57.85 52.31 2kzr n ARG 20 Cb 0.18 -1.88 -0.03 0.00 -1.16 0.00 0.00 32.46 29.58 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2kzr s THR 21 N -3.25 3.88 0.61 0.55 2.01 -1.05 -4.86 115.64 113.54 2kzr s THR 21 Ca 0.47 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.55 2kzr s THR 21 Cb 0.42 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2kzr s THR 21 CO 0.02 -0.08 0.87 -0.13 -0.69 0.00 0.00 174.62 174.61 2kzr s ARG 22 N 3.48 2.44 0.16 4.92 0.52 -1.26 -1.74 118.95 127.46 2kzr s ARG 22 Ca 0.64 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 55.12 2kzr s ARG 22 Cb -0.28 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 32.88 2kzr s ARG 22 CO 0.23 -0.91 1.65 1.25 0.02 0.00 0.00 175.30 177.55 2kzr h LEU 23 N -0.19 -0.56 -1.59 2.53 5.85 -0.56 0.27 115.31 121.06 2kzr h LEU 23 Ca -0.43 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.54 2kzr h LEU 23 Cb 1.30 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 2kzr h LEU 23 CO 0.56 -0.20 0.46 0.08 -0.34 0.00 0.00 178.44 178.99 2kzr h ARG 24 N -0.13 0.42 0.02 1.25 0.11 -1.65 -1.30 114.38 113.10 2kzr h ARG 24 Ca 0.16 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.93 2kzr h ARG 24 Cb 0.37 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 2kzr h ARG 24 CO -0.39 0.28 -1.62 0.93 0.10 0.00 0.00 179.97 179.28 2kzr h GLU 25 N 0.43 0.04 0.11 0.08 5.08 -1.57 -2.90 114.58 115.85 2kzr h GLU 25 Ca 0.33 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2kzr h GLU 25 Cb 0.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2kzr h GLU 25 CO -0.10 0.67 -0.05 1.25 -1.00 0.00 0.00 179.01 179.78 2kzr h LEU 26 N 0.01 -0.12 -1.97 1.33 7.12 0.13 -1.48 115.31 120.32 2kzr h LEU 26 Ca -0.25 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2kzr h LEU 26 Cb 1.98 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 42.14 2kzr h LEU 26 CO 0.09 0.04 -0.03 1.56 -0.13 0.00 0.00 178.44 179.97 2kzr h GLN 27 N -0.40 0.00 -0.43 1.25 4.20 -1.49 -1.49 115.11 116.76 2kzr h GLN 27 Ca -0.02 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2kzr h GLN 27 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2kzr h GLN 27 CO 0.02 0.03 -0.10 0.78 -0.67 0.00 0.00 178.83 178.89 2kzr h GLY 28 N 1.27 0.90 1.53 3.46 0.00 -1.56 -1.95 103.07 106.71 2kzr h GLY 28 Ca -0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 47.33 46.40 2kzr h GLY 28 CO 0.00 0.68 -0.76 1.46 0.00 0.00 0.00 176.54 177.92 2kzr h GLN 29 N 0.66 0.46 -0.63 4.80 4.20 -0.36 -3.03 115.11 121.20 2kzr h GLN 29 Ca 0.11 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 2kzr h GLN 29 Cb 0.63 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 2kzr h GLN 29 CO 0.04 1.02 0.25 0.82 -0.67 0.00 0.00 178.83 180.30 2kzr h ILE 30 N 0.31 1.22 0.00 2.54 2.04 -1.31 0.24 117.51 122.56 2kzr h ILE 30 Ca -0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 2kzr h ILE 30 Cb 1.35 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2kzr h ILE 30 CO 0.13 0.28 -0.09 0.00 0.00 0.00 0.00 178.15 178.48 2kzr h ALA 31 N 1.37 1.32 0.00 1.87 0.00 -1.27 -1.34 119.26 121.21 2kzr h ALA 31 Ca 0.21 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2kzr h ALA 31 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2kzr h ALA 31 CO -0.02 0.11 -1.84 0.00 0.00 0.00 0.00 179.25 177.50 2kzr n ALA 32 N -2.28 2.03 -0.03 0.00 0.00 -0.52 -3.37 120.51 116.34 2kzr n ALA 32 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 2kzr n ALA 32 Cb 0.20 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 2kzr n ALA 32 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2kzr h ILE 33 N 0.00 0.00 -0.02 0.00 1.08 -0.30 -3.41 117.51 114.86 2kzr h ILE 33 Ca -0.24 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2kzr h ILE 33 Cb 1.63 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2kzr h ILE 33 CO 0.03 0.00 -0.02 1.07 -0.69 0.00 0.00 178.15 178.54 2kzr n THR 34 N -3.39 0.00 -1.01 -0.27 5.66 -0.55 -5.00 114.28 109.72 2kzr n THR 34 Ca -0.01 -0.49 -0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2kzr n THR 34 Cb 0.03 1.27 -0.00 0.00 -1.55 0.00 0.00 70.33 70.08 2kzr n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kzr n GLY 35 N 0.78 0.47 3.73 1.09 0.00 -0.92 -4.92 105.19 105.42 2kzr n GLY 35 Ca 0.08 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2kzr n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kzr s ILE 36 N -1.97 4.95 0.20 -0.61 -1.09 -1.22 -4.88 121.20 116.58 2kzr s ILE 36 Ca 0.00 1.52 -0.31 0.00 -2.23 0.00 0.00 60.65 59.63 2kzr s ILE 36 Cb 0.00 -4.07 -0.11 0.00 -1.58 0.00 0.00 42.46 36.70 2kzr s ILE 36 CO 0.00 0.28 1.62 0.00 -1.23 0.00 0.00 174.94 175.62 2kzr s ALA 37 N 0.53 3.83 0.60 9.38 0.00 -1.26 -3.39 121.76 131.45 2kzr s ALA 37 Ca 0.38 1.47 0.30 0.00 0.00 0.00 0.00 51.96 54.12 2kzr s ALA 37 Cb -0.19 -3.65 1.77 0.00 0.00 0.00 0.00 23.12 21.05 2kzr s ALA 37 CO 0.20 -0.85 2.17 -1.00 0.00 0.00 0.00 175.76 176.28 2kzr h PRO 38 N 6.46 0.00 -0.00 0.00 0.13 -1.90 -1.19 132.00 135.49 2kzr h PRO 38 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kzr h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kzr h PRO 38 CO 0.91 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 179.08 2kzr n GLY 39 N -1.35 -1.13 0.39 1.56 0.00 -1.26 -3.95 105.19 99.45 2kzr n GLY 39 Ca -0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2kzr n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kzr n SER 40 N -1.13 1.50 -4.82 1.61 7.64 -0.48 -5.04 113.62 112.91 2kzr n SER 40 Ca 0.18 0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.89 2kzr n SER 40 Cb 0.20 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2kzr n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kzr s GLN 41 N -2.32 3.68 0.22 1.43 -2.07 -0.98 -4.67 119.66 114.94 2kzr s GLN 41 Ca -0.24 1.12 -0.11 0.00 -1.82 0.00 0.00 55.36 54.31 2kzr s GLN 41 Cb 0.09 -2.09 -0.01 0.00 -1.09 0.00 0.00 33.01 29.91 2kzr s GLN 41 CO 0.32 -0.51 0.39 -0.98 -1.32 0.00 0.00 175.29 173.19 2kzr s ARG 42 N -3.92 1.40 -0.64 9.60 3.03 -1.26 -4.89 118.95 122.26 2kzr s ARG 42 Ca 0.62 -1.24 -0.28 0.00 2.03 0.00 0.00 55.73 56.86 2kzr s ARG 42 Cb -0.13 0.43 0.03 0.00 -1.03 0.00 0.00 34.95 34.24 2kzr s ARG 42 CO 0.31 -0.55 1.26 0.42 -1.13 0.00 0.00 175.30 175.61 2kzr s ILE 43 N -4.01 3.86 -0.04 4.99 -1.09 -1.26 -4.66 121.20 119.00 2kzr s ILE 43 Ca 0.22 0.68 0.06 0.00 -2.23 0.00 0.00 60.65 59.38 2kzr s ILE 43 Cb 0.01 -4.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.12 2kzr s ILE 43 CO 0.06 -1.52 -0.23 -0.76 -1.23 0.00 0.00 174.94 171.27 2kzr s LEU 44 N 5.46 2.03 0.46 2.97 1.43 -1.26 -3.98 118.68 125.79 2kzr s LEU 44 Ca 0.41 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2kzr s LEU 44 Cb -0.08 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2kzr s LEU 44 CO 0.21 0.24 0.08 0.68 0.23 0.00 0.00 176.35 177.79 2kzr s VAL 45 N -0.28 0.78 0.14 -1.59 -7.23 -1.26 -0.73 120.40 110.23 2kzr s VAL 45 Ca 0.01 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 2kzr s VAL 45 Cb -0.11 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2kzr s VAL 45 CO 0.02 0.00 1.73 1.23 -0.31 0.00 0.00 175.10 177.77 2kzr h GLY 46 N 1.55 0.30 -1.73 2.32 0.00 -1.81 -3.42 103.07 100.28 2kzr h GLY 46 Ca -0.39 -0.01 -0.48 0.00 0.00 0.00 0.00 47.33 46.45 2kzr h GLY 46 CO 0.63 -0.02 0.36 -2.52 0.00 0.00 0.00 176.54 174.99 2kzr s TYR 47 N -6.18 3.50 -0.51 5.60 -0.85 -1.26 -4.95 117.35 112.69 2kzr s TYR 47 Ca -0.13 1.38 -0.38 0.00 -0.52 0.00 0.00 57.07 57.42 2kzr s TYR 47 Cb 0.11 -2.73 -0.16 0.00 0.38 0.00 0.00 41.96 39.56 2kzr s TYR 47 CO 0.70 -0.41 2.25 -0.35 -1.52 0.00 0.00 175.55 176.22 2kzr n PRO 48 N -1.83 0.47 -2.26 -3.49 -0.04 -1.26 -4.97 135.00 121.62 2kzr n PRO 48 Ca 0.06 0.11 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 2kzr n PRO 48 Cb 0.54 -1.97 0.06 0.00 -0.04 0.00 0.00 33.50 32.09 2kzr n PRO 48 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2kzr s PRO 49 N 6.63 2.34 -0.22 0.54 0.04 -1.26 -5.01 135.00 138.06 2kzr s PRO 49 Ca 1.17 -0.25 0.13 0.00 0.04 0.00 0.00 61.00 62.10 2kzr s PRO 49 Cb -1.15 -2.21 0.46 0.00 0.04 0.00 0.00 34.50 31.65 2kzr s PRO 49 CO 0.55 -1.12 1.36 0.39 0.04 0.00 0.00 177.00 178.23 2kzr n GLU 50 N -2.83 2.01 -3.43 4.56 1.02 -1.26 -4.98 120.64 115.74 2kzr n GLU 50 Ca 0.07 -2.99 -0.17 0.00 -0.02 0.00 0.00 57.16 54.05 2kzr n GLU 50 Cb 0.60 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.30 2kzr n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kzr s LEU 52 N -5.21 4.38 -0.89 0.00 1.43 -1.26 -4.94 118.68 112.19 2kzr s LEU 52 Ca 0.23 2.63 -0.18 0.00 -1.03 0.00 0.00 54.13 55.78 2kzr s LEU 52 Cb -0.07 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.72 2kzr s LEU 52 CO 0.81 -0.93 1.06 -1.81 0.23 0.00 0.00 176.35 175.71 2kzr s ASP 53 N 2.26 6.61 -1.07 2.29 1.01 -1.26 -4.39 116.67 122.12 2kzr s ASP 53 Ca 0.76 -2.06 -0.22 0.00 0.71 0.00 0.00 52.55 51.73 2kzr s ASP 53 Cb -0.43 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.12 2kzr s ASP 53 CO 0.34 -1.02 1.75 -0.76 0.21 0.00 0.00 175.17 175.69 2kzr s LEU 54 N 2.41 3.38 -0.00 1.23 1.02 -1.26 -4.78 118.68 120.67 2kzr s LEU 54 Ca 0.29 -1.45 -0.17 0.00 0.02 0.00 0.00 54.13 52.82 2kzr s LEU 54 Cb -0.07 -2.57 -0.34 0.00 0.02 0.00 0.00 46.19 43.23 2kzr s LEU 54 CO -0.08 -2.13 0.93 -1.28 0.02 0.00 0.00 176.35 173.81 2kzr h SER 55 N 9.81 0.71 -3.23 2.29 0.87 -2.01 -3.44 113.55 118.54 2kzr h SER 55 Ca 0.22 -0.93 -0.58 0.00 -1.23 0.00 0.00 61.79 59.27 2kzr h SER 55 Cb 0.97 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 2kzr h SER 55 CO 1.33 1.63 0.75 -0.62 -0.53 0.00 0.00 176.83 179.38 2kzr s ASP 56 N -7.38 6.96 0.54 6.23 2.15 -1.26 -4.93 116.67 118.98 2kzr s ASP 56 Ca -0.11 1.14 0.23 0.00 0.43 0.00 0.00 52.55 54.24 2kzr s ASP 56 Cb 0.03 -2.52 1.41 0.00 -0.30 0.00 0.00 42.92 41.54 2kzr s ASP 56 CO 0.90 -0.74 2.06 0.08 -0.17 0.00 0.00 175.17 177.31 2kzr h ARG 57 N 7.81 0.00 -0.02 4.34 -0.00 -1.98 -2.68 114.38 121.85 2kzr h ARG 57 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.78 2kzr h ARG 57 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 2kzr h ARG 57 CO 0.98 0.00 -0.16 -3.47 -0.00 0.00 0.00 179.97 177.32 2kzr n ASP 58 N -4.31 1.70 -4.70 0.08 2.03 -1.26 -1.74 116.55 108.35 2kzr n ASP 58 Ca 0.04 -1.40 -0.42 0.00 0.52 0.00 0.00 54.79 53.53 2kzr n ASP 58 Cb 0.39 0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2kzr n ASP 58 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2kzr s ILE 59 N -2.24 3.52 0.63 5.18 2.07 -1.01 -4.59 121.20 124.76 2kzr s ILE 59 Ca 0.29 1.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.51 2kzr s ILE 59 Cb 0.20 -3.64 0.06 0.00 0.13 0.00 0.00 42.46 39.21 2kzr s ILE 59 CO 0.43 0.03 0.89 0.42 -1.91 0.00 0.00 174.94 174.79 2kzr s THR 60 N 1.93 2.44 0.07 4.00 -4.23 -1.26 -0.45 115.64 118.14 2kzr s THR 60 Ca 0.65 -0.56 0.32 0.00 -1.18 0.00 0.00 61.69 60.92 2kzr s THR 60 Cb -0.34 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 70.96 2kzr s THR 60 CO 0.28 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.26 2kzr h LEU 61 N -0.24 0.00 -2.13 4.79 3.38 -1.41 -2.35 115.31 117.35 2kzr h LEU 61 Ca -0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2kzr h LEU 61 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2kzr h LEU 61 CO 0.51 0.00 -0.00 1.23 0.09 0.00 0.00 178.44 180.26 2kzr h GLY 62 N 1.15 0.00 0.00 0.83 0.00 -1.86 -3.14 103.07 100.04 2kzr h GLY 62 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2kzr h GLY 62 CO 0.00 0.00 -0.86 -1.80 0.00 0.00 0.00 176.54 173.88 2kzr h ASP 63 N 0.00 0.00 -4.22 0.19 3.58 -1.78 -3.49 116.42 110.70 2kzr h ASP 63 Ca -0.00 -0.47 -0.49 0.00 0.42 0.00 0.00 57.03 56.49 2kzr h ASP 63 Cb 0.01 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.11 2kzr h ASP 63 CO 0.00 1.23 0.38 -0.76 -2.88 0.00 0.00 179.24 177.21 2kzr s LEU 64 N -8.02 3.49 -0.02 2.28 2.01 -1.19 -4.96 118.68 112.28 2kzr s LEU 64 Ca -0.23 1.68 0.00 0.00 0.01 0.00 0.00 54.13 55.58 2kzr s LEU 64 Cb 0.03 -4.52 0.02 0.00 0.01 0.00 0.00 46.19 41.74 2kzr s LEU 64 CO 0.51 -0.95 1.68 -2.65 1.01 0.00 0.00 176.35 175.95 2kzr n PRO 65 N -2.01 1.05 -2.17 1.29 -0.02 -1.26 -4.83 135.00 127.05 2kzr n PRO 65 Ca 0.08 -0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 2kzr n PRO 65 Cb 0.53 -1.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.95 2kzr n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kzr s ILE 66 N -0.14 3.77 0.10 4.25 1.09 -1.26 -4.98 121.20 124.03 2kzr s ILE 66 Ca 0.02 0.87 0.10 0.00 -1.10 0.00 0.00 60.65 60.53 2kzr s ILE 66 Cb 0.02 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2kzr s ILE 66 CO 0.00 -0.35 -0.23 -1.10 -0.10 0.00 0.00 174.94 173.17 2kzr s GLN 67 N 4.63 1.67 -0.45 2.79 -0.21 -1.26 -4.97 119.66 121.87 2kzr s GLN 67 Ca 0.69 -1.21 -0.27 0.00 0.02 0.00 0.00 55.36 54.59 2kzr s GLN 67 Cb -0.23 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 2kzr s GLN 67 CO 0.28 0.48 2.05 -1.54 -2.12 0.00 0.00 175.29 174.44 2kzr s SER 68 N -1.89 5.23 0.00 5.90 1.04 -1.26 -1.74 113.70 120.97 2kzr s SER 68 Ca 0.15 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2kzr s SER 68 Cb -0.10 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2kzr s SER 68 CO 0.07 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.61 2kzr n GLY 69 N 5.72 0.92 3.92 7.32 0.00 -0.19 -4.90 105.19 117.98 2kzr n GLY 69 Ca 0.27 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2kzr n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kzr s ASP 70 N -2.02 6.19 -0.45 1.61 2.15 -0.71 -4.68 116.67 118.76 2kzr s ASP 70 Ca 0.00 0.74 -0.18 0.00 0.43 0.00 0.00 52.55 53.54 2kzr s ASP 70 Cb 0.00 -2.10 0.04 0.00 -0.30 0.00 0.00 42.92 40.56 2kzr s ASP 70 CO 0.00 -0.55 0.49 -0.32 -0.17 0.00 0.00 175.17 174.62 2kzr s MET 71 N -4.63 3.10 -0.18 4.34 -2.45 -1.26 -1.20 119.30 117.01 2kzr s MET 71 Ca 0.46 -0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 54.02 2kzr s MET 71 Cb -0.10 -4.02 -0.02 0.00 1.25 0.00 0.00 34.83 31.94 2kzr s MET 71 CO 0.42 -0.97 -0.03 -0.51 1.05 0.00 0.00 175.02 174.98 2kzr s LEU 72 N 2.24 3.15 -0.61 4.11 1.02 -0.86 -2.03 118.68 125.70 2kzr s LEU 72 Ca 0.12 -0.22 -0.24 0.00 0.02 0.00 0.00 54.13 53.82 2kzr s LEU 72 Cb -0.18 -1.78 0.05 0.00 0.02 0.00 0.00 46.19 44.30 2kzr s LEU 72 CO 0.13 0.09 1.00 -0.63 0.02 0.00 0.00 176.35 176.96 2kzr s ILE 73 N 0.81 4.27 -0.41 -0.59 1.09 0.09 -0.67 121.20 125.80 2kzr s ILE 73 Ca -0.01 0.12 -0.20 0.00 -1.10 0.00 0.00 60.65 59.46 2kzr s ILE 73 Cb -0.14 -4.64 0.02 0.00 -1.06 0.00 0.00 42.46 36.63 2kzr s ILE 73 CO 0.02 -1.32 0.60 -0.69 -0.10 0.00 0.00 174.94 173.44 2kzr s VAL 74 N 4.24 4.90 0.17 2.92 1.01 -0.54 -4.11 120.40 128.99 2kzr s VAL 74 Ca 0.29 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2kzr s VAL 74 Cb -0.13 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2kzr s VAL 74 CO 0.16 -0.47 0.13 -1.83 0.00 0.00 0.00 175.10 173.10 2kzr s GLU 75 N 2.65 2.87 -0.03 2.72 -1.05 -1.26 -4.30 118.70 120.30 2kzr s GLU 75 Ca 0.21 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.14 2kzr s GLU 75 Cb -0.15 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 30.94 2kzr s GLU 75 CO 0.17 0.47 -0.03 -2.00 0.95 0.00 0.00 175.26 174.82 2kzr s GLU 76 N -3.17 0.59 0.00 -4.83 2.56 -1.26 -2.32 118.70 110.26 2kzr s GLU 76 Ca 0.31 -0.04 0.27 0.00 0.00 0.00 0.00 54.97 55.50 2kzr s GLU 76 Cb -0.10 -0.65 0.79 0.00 2.00 0.00 0.00 34.13 36.17 2kzr s GLU 76 CO 0.23 -0.08 1.59 -3.47 -0.56 0.00 0.00 175.26 172.97 2kzr n ASP 77 N 3.96 0.91 -0.96 -1.70 2.03 -1.26 -4.92 116.55 114.61 2kzr n ASP 77 Ca -0.25 -0.79 -0.10 0.00 0.52 0.00 0.00 54.79 54.18 2kzr n ASP 77 Cb 0.51 0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2kzr n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kzr n GLN 78 N -0.76 -0.73 0.07 -0.67 6.02 -1.26 -4.95 117.38 115.09 2kzr n GLN 78 Ca 0.12 0.60 -0.19 0.00 -0.01 0.00 0.00 57.00 57.52 2kzr n GLN 78 Cb 0.34 -4.59 -0.10 0.00 1.02 0.00 0.00 30.24 26.91 2kzr n GLN 78 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2kzr h THR 79 N 0.00 1.32 -2.32 5.09 2.02 -2.00 -3.51 112.91 113.52 2kzr h THR 79 Ca -0.22 -2.40 0.24 0.00 0.77 0.00 0.00 66.41 64.80 2kzr h THR 79 Cb 0.97 2.51 -0.11 0.00 -1.74 0.00 0.00 68.15 69.77 2kzr h THR 79 CO 0.28 0.73 -0.73 0.54 0.37 0.00 0.00 175.52 176.71 2kzr n ARG 80 N -3.79 -2.18 -1.74 6.66 1.74 -1.26 -4.69 116.66 111.40 2kzr n ARG 80 Ca -0.10 1.70 -0.42 0.00 -0.77 0.00 0.00 57.85 58.26 2kzr n ARG 80 Cb 0.91 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 2kzr n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kzr s PRO 81 N -3.33 4.15 -1.18 5.56 0.04 -1.26 -4.91 135.00 134.07 2kzr s PRO 81 Ca 0.00 2.53 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 2kzr s PRO 81 Cb 0.00 -4.01 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 2kzr s PRO 81 CO 0.00 -0.91 1.93 1.63 0.04 0.00 0.00 177.00 179.69 2kzr n LYS 82 N 7.05 1.67 -3.67 4.56 5.02 -1.26 -4.79 118.16 126.74 2kzr n LYS 82 Ca 0.19 -2.49 -0.01 0.00 -2.02 0.00 0.00 58.31 53.98 2kzr n LYS 82 Cb 0.41 -3.70 -0.01 0.00 -0.02 0.00 0.00 35.03 31.71 2kzr n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kzr s ALA 83 N 10.60 -2.00 -0.41 7.82 0.00 -1.26 -5.13 121.76 131.38 2kzr s ALA 83 Ca 0.67 0.52 0.02 0.00 0.00 0.00 0.00 51.96 53.17 2kzr s ALA 83 Cb 0.00 0.45 0.13 0.00 0.00 0.00 0.00 23.12 23.70 2kzr s ALA 83 CO 0.13 -1.03 0.21 -1.54 0.00 0.00 0.00 175.76 173.54 2kzr s SER 84 N -2.93 3.64 0.13 0.00 1.04 -1.26 -5.03 113.70 109.29 2kzr s SER 84 Ca 0.13 -2.45 -0.22 0.00 0.48 0.00 0.00 55.95 53.89 2kzr s SER 84 Cb 0.02 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.16 2kzr s SER 84 CO -0.02 -0.29 1.68 -0.65 0.98 0.00 0.00 173.24 174.94 2kzr h PRO 85 N 6.94 -0.16 0.00 4.02 0.11 -2.00 -3.56 132.00 137.36 2kzr h PRO 85 Ca -0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kzr h PRO 85 Cb 0.94 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2kzr h PRO 85 CO 0.46 -0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.01