#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzr n ARG 2 N 0.00 3.21 -2.63 -0.99 1.74 -1.26 -4.06 116.66 112.67 2kzr n ARG 2 Ca 0.00 -3.19 -0.41 0.00 -0.77 0.00 0.00 57.85 53.48 2kzr n ARG 2 Cb 0.00 -3.21 -0.04 0.00 -1.02 0.00 0.00 32.46 28.19 2kzr n ARG 2 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kzr s VAL 3 N 2.48 4.13 -0.72 1.55 1.01 -0.52 -3.54 120.40 124.79 2kzr s VAL 3 Ca 0.46 1.86 -0.21 0.00 0.00 0.00 0.00 61.98 64.09 2kzr s VAL 3 Cb 0.08 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.36 2kzr s VAL 3 CO -0.01 0.33 0.98 -0.13 0.00 0.00 0.00 175.10 176.27 2kzr s ARG 4 N -0.40 3.23 -0.73 2.72 0.52 -0.55 -1.63 118.95 122.12 2kzr s ARG 4 Ca 0.47 -1.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.29 2kzr s ARG 4 Cb -0.27 -4.42 0.04 0.00 0.52 0.00 0.00 34.95 30.82 2kzr s ARG 4 CO 0.33 -1.78 1.23 0.00 0.02 0.00 0.00 175.30 175.10 2kzr s LYS 6 N 5.49 3.48 0.10 0.00 2.47 0.01 -0.72 119.74 130.57 2kzr s LYS 6 Ca 0.33 0.89 0.01 0.00 -1.56 0.00 0.00 55.97 55.64 2kzr s LYS 6 Cb -0.09 -4.07 -0.00 0.00 -1.46 0.00 0.00 37.83 32.21 2kzr s LYS 6 CO 0.14 -1.68 0.12 0.00 0.16 0.00 0.00 175.35 174.09 2kzr n ALA 7 N 9.17 0.04 -2.05 3.13 0.00 -0.86 -0.27 120.51 129.66 2kzr n ALA 7 Ca 0.17 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 2kzr n ALA 7 Cb 0.48 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 2kzr n ALA 7 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kzr s LYS 8 N -2.30 4.23 0.00 0.00 -0.14 -1.26 -1.54 119.74 118.73 2kzr s LYS 8 Ca 0.10 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.88 2kzr s LYS 8 Cb 0.00 -3.58 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 2kzr s LYS 8 CO 0.07 -0.66 0.00 0.41 -0.76 0.00 0.00 175.35 174.41 2kzr n GLY 9 N 3.84 0.91 0.00 -3.33 0.00 -1.26 -4.98 105.19 100.37 2kzr n GLY 9 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.55 3.77 -0.02 0.00 -0.59 -5.06 105.19 101.86 2kzr n GLY 10 Ca 0.00 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 2kzr n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kzr s THR 11 N -0.21 3.28 -0.06 2.61 -4.23 -1.26 -2.03 115.64 113.73 2kzr s THR 11 Ca 0.00 0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2kzr s THR 11 Cb 0.00 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.40 2kzr s THR 11 CO 0.00 -0.03 -0.02 -1.00 -0.54 0.00 0.00 174.62 173.03 2kzr s HIS 12 N -1.61 0.72 -0.58 3.99 3.76 0.10 -4.94 115.29 116.73 2kzr s HIS 12 Ca 0.63 -0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.13 2kzr s HIS 12 Cb -0.26 -0.77 0.07 0.00 1.11 0.00 0.00 32.58 32.73 2kzr s HIS 12 CO 0.32 -0.29 0.80 -1.17 -0.85 0.00 0.00 174.74 173.55 2kzr s LEU 13 N 1.61 4.73 -0.49 0.89 1.98 -1.26 -1.00 118.68 125.14 2kzr s LEU 13 Ca -0.00 -0.96 -0.20 0.00 -2.89 0.00 0.00 54.13 50.08 2kzr s LEU 13 Cb -0.13 -2.47 0.04 0.00 0.66 0.00 0.00 46.19 44.29 2kzr s LEU 13 CO -0.04 -1.17 0.68 -0.76 -1.89 0.00 0.00 176.35 173.17 2kzr s LEU 14 N 3.32 4.68 0.00 -0.68 1.02 -0.65 -4.95 118.68 121.42 2kzr s LEU 14 Ca 0.19 -0.64 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 2kzr s LEU 14 Cb -0.18 -2.59 0.12 0.00 0.02 0.00 0.00 46.19 43.55 2kzr s LEU 14 CO 0.11 -0.91 0.78 0.00 0.02 0.00 0.00 176.35 176.35 2kzr n GLN 15 N 6.40 -0.10 0.00 1.70 6.02 -1.26 -1.44 117.38 128.70 2kzr n GLN 15 Ca -0.04 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.05 2kzr n GLN 15 Cb 0.47 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.15 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 -0.76 3.08 3.63 1.08 0.00 -1.26 -4.99 105.19 105.97 2kzr n GLY 16 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.89 0.54 0.99 1.43 -1.26 -4.92 118.68 119.35 2kzr s LEU 17 Ca 0.00 1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2kzr s LEU 17 Cb 0.00 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2kzr s LEU 17 CO 0.00 -1.19 0.78 -0.94 0.23 0.00 0.00 176.35 175.22 2kzr s SER 18 N 3.71 5.41 0.42 2.29 1.04 -1.26 -0.05 113.70 125.25 2kzr s SER 18 Ca 0.66 0.17 0.09 0.00 0.48 0.00 0.00 55.95 57.35 2kzr s SER 18 Cb -0.22 -1.14 0.91 0.00 0.10 0.00 0.00 66.02 65.67 2kzr s SER 18 CO 0.27 -1.06 2.05 0.77 0.98 0.00 0.00 173.24 176.25 2kzr h SER 19 N 0.08 0.43 -0.73 7.02 4.64 -1.96 -2.59 113.55 120.43 2kzr h SER 19 Ca -0.44 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 60.65 2kzr h SER 19 Cb 1.28 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 2kzr h SER 19 CO 0.55 0.30 0.28 -2.11 -0.87 0.00 0.00 176.83 174.98 2kzr n ARG 20 N -4.48 3.56 -2.32 4.77 1.85 -1.26 -1.23 116.66 117.55 2kzr n ARG 20 Ca 0.04 -3.09 -0.42 0.00 -1.00 0.00 0.00 57.85 53.38 2kzr n ARG 20 Cb 0.12 -2.19 -0.03 0.00 -1.05 0.00 0.00 32.46 29.31 2kzr n ARG 20 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2kzr s THR 21 N -3.02 3.84 0.80 8.89 2.01 -0.98 -4.80 115.64 122.37 2kzr s THR 21 Ca 0.55 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.69 2kzr s THR 21 Cb 0.44 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 69.21 2kzr s THR 21 CO 0.13 0.04 1.17 -0.13 -0.69 0.00 0.00 174.62 175.14 2kzr s ARG 22 N 1.76 2.06 0.13 4.92 0.52 -1.26 -1.47 118.95 125.60 2kzr s ARG 22 Ca 0.61 0.17 -0.26 0.00 -0.52 0.00 0.00 55.73 55.73 2kzr s ARG 22 Cb -0.30 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2kzr s ARG 22 CO 0.27 -1.54 1.63 1.25 0.02 0.00 0.00 175.30 176.93 2kzr h LEU 23 N -1.02 -0.81 -1.92 2.53 6.46 -0.60 -0.36 115.31 119.58 2kzr h LEU 23 Ca -0.46 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 2kzr h LEU 23 Cb 1.32 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2kzr h LEU 23 CO 0.65 -0.34 -0.12 0.08 -0.62 0.00 0.00 178.44 178.10 2kzr h ARG 24 N -0.40 0.00 0.05 1.25 0.11 -1.83 0.47 114.38 114.03 2kzr h ARG 24 Ca 0.07 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.96 2kzr h ARG 24 Cb 0.50 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.60 2kzr h ARG 24 CO -0.25 0.12 -0.77 0.93 0.10 0.00 0.00 179.97 180.10 2kzr h GLU 25 N 0.00 0.43 0.19 0.08 4.39 -1.74 -2.75 114.58 115.17 2kzr h GLU 25 Ca -0.00 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 2kzr h GLU 25 Cb 0.29 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kzr h GLU 25 CO 0.02 1.19 -0.09 1.25 -1.16 0.00 0.00 179.01 180.22 2kzr h LEU 26 N -0.08 -0.21 -2.51 1.33 7.12 -0.34 -1.40 115.31 119.22 2kzr h LEU 26 Ca -0.11 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 2kzr h LEU 26 Cb 1.50 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.68 2kzr h LEU 26 CO 0.15 -0.08 -0.02 1.56 -0.13 0.00 0.00 178.44 179.92 2kzr h GLN 27 N -0.39 0.00 -0.30 1.25 4.20 -1.15 -1.41 115.11 117.31 2kzr h GLN 27 Ca -0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 2kzr h GLN 27 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2kzr h GLN 27 CO 0.04 0.02 -0.33 0.78 -0.67 0.00 0.00 178.83 178.67 2kzr h GLY 28 N 0.48 0.83 1.14 3.46 0.00 -1.48 -1.89 103.07 105.61 2kzr h GLY 28 Ca -0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.34 2kzr h GLY 28 CO 0.00 0.78 -0.18 1.46 0.00 0.00 0.00 176.54 178.60 2kzr h GLN 29 N 0.52 0.99 -0.99 4.80 4.20 -0.20 -2.96 115.11 121.47 2kzr h GLN 29 Ca 0.04 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.37 2kzr h GLN 29 Cb 0.91 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 2kzr h GLN 29 CO 0.08 1.08 0.66 0.82 -0.67 0.00 0.00 178.83 180.79 2kzr h ILE 30 N 0.87 1.23 0.00 2.54 2.04 -1.38 0.16 117.51 122.97 2kzr h ILE 30 Ca 0.12 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2kzr h ILE 30 Cb 0.75 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2kzr h ILE 30 CO 0.06 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.35 2kzr h ALA 31 N 1.39 1.30 0.06 1.87 0.00 -1.20 -1.93 119.26 120.76 2kzr h ALA 31 Ca 0.37 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.85 2kzr h ALA 31 Cb -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2kzr h ALA 31 CO -0.09 0.12 -2.00 0.00 0.00 0.00 0.00 179.25 177.29 2kzr n ALA 32 N -2.28 1.19 0.01 0.00 0.00 -0.55 -3.49 120.51 115.39 2kzr n ALA 32 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 2kzr n ALA 32 Cb 0.21 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.04 0.00 -0.01 0.00 1.08 -0.53 -3.39 117.51 114.70 2kzr h ILE 33 Ca -0.41 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2kzr h ILE 33 Cb 2.03 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2kzr h ILE 33 CO 0.06 0.00 -0.60 1.07 -0.69 0.00 0.00 178.15 177.99 2kzr n THR 34 N -2.45 0.00 -0.85 -0.27 5.66 -0.77 -4.97 114.28 110.63 2kzr n THR 34 Ca -0.01 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2kzr n THR 34 Cb 0.02 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 1.44 0.68 3.60 1.09 0.00 -0.93 -4.94 105.19 106.14 2kzr n GLY 35 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.54 4.61 0.48 -0.61 -1.09 -1.23 -4.88 121.20 115.95 2kzr s ILE 36 Ca 0.00 1.17 -0.23 0.00 -2.23 0.00 0.00 60.65 59.36 2kzr s ILE 36 Cb 0.00 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 2kzr s ILE 36 CO 0.00 -0.50 1.21 0.00 -1.23 0.00 0.00 174.94 174.41 2kzr n ALA 37 N 6.69 1.04 0.29 9.38 0.00 -1.26 -3.31 120.51 133.34 2kzr n ALA 37 Ca 0.06 0.18 0.18 0.00 0.00 0.00 0.00 53.44 53.87 2kzr n ALA 37 Cb 0.48 -2.24 0.90 0.00 0.00 0.00 0.00 19.45 18.59 2kzr n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kzr h PRO 38 N 1.60 0.00 0.00 0.00 0.13 -1.90 0.22 132.00 132.05 2kzr h PRO 38 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kzr h PRO 38 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kzr h PRO 38 CO 0.57 0.00 -0.78 0.78 -0.23 0.00 0.00 178.00 178.35 2kzr h GLY 39 N 0.00 0.00 0.97 1.56 0.00 -1.96 -3.33 103.07 100.31 2kzr h GLY 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kzr h GLY 39 CO -0.00 0.00 -0.85 1.44 0.00 0.00 0.00 176.54 177.13 2kzr n SER 40 N -2.79 0.72 -4.69 0.19 7.64 0.04 -4.90 113.62 109.83 2kzr n SER 40 Ca 0.01 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 2kzr n SER 40 Cb 0.55 0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 64.09 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 -3.24 2.55 0.04 1.43 -2.07 -1.07 -1.79 119.66 115.51 2kzr s GLN 41 Ca 0.03 -0.88 0.05 0.00 -1.82 0.00 0.00 55.36 52.75 2kzr s GLN 41 Cb 0.12 -2.52 -0.02 0.00 -1.09 0.00 0.00 33.01 29.50 2kzr s GLN 41 CO 0.76 0.53 -0.14 1.03 -1.32 0.00 0.00 175.29 176.15 2kzr s ARG 42 N -2.44 0.92 -0.85 9.60 0.52 -1.26 -4.88 118.95 120.55 2kzr s ARG 42 Ca 0.26 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.47 2kzr s ARG 42 Cb -0.11 -0.93 0.05 0.00 0.52 0.00 0.00 34.95 34.48 2kzr s ARG 42 CO 0.19 0.23 1.30 0.42 0.02 0.00 0.00 175.30 177.46 2kzr s ILE 43 N -0.87 3.93 -0.04 1.52 -1.09 -1.26 -4.44 121.20 118.96 2kzr s ILE 43 Ca 0.01 -0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.23 2kzr s ILE 43 Cb -0.08 -4.94 -0.02 0.00 -1.58 0.00 0.00 42.46 35.84 2kzr s ILE 43 CO 0.01 -1.83 -0.21 -0.76 -1.23 0.00 0.00 174.94 170.92 2kzr s LEU 44 N 5.06 2.32 0.31 2.97 1.43 -1.25 -4.45 118.68 125.07 2kzr s LEU 44 Ca 0.38 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 2kzr s LEU 44 Cb -0.06 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 2kzr s LEU 44 CO 0.03 0.32 0.05 0.68 0.23 0.00 0.00 176.35 177.66 2kzr s VAL 45 N -0.60 3.07 0.10 -1.59 -7.23 -1.26 -0.44 120.40 112.45 2kzr s VAL 45 Ca 0.09 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 2kzr s VAL 45 Cb -0.11 -2.88 -0.11 0.00 0.56 0.00 0.00 36.38 33.84 2kzr s VAL 45 CO 0.00 -0.26 1.75 1.23 -0.31 0.00 0.00 175.10 177.51 2kzr h GLY 46 N 1.74 0.13 -2.89 2.32 0.00 -1.66 -3.38 103.07 99.33 2kzr h GLY 46 Ca -0.44 -0.05 -0.51 0.00 0.00 0.00 0.00 47.33 46.34 2kzr h GLY 46 CO 0.63 0.05 0.50 -2.52 0.00 0.00 0.00 176.54 175.20 2kzr s TYR 47 N -6.15 2.93 -0.90 5.60 1.13 -1.26 -4.84 117.35 113.86 2kzr s TYR 47 Ca -0.13 1.53 -0.32 0.00 -1.41 0.00 0.00 57.07 56.74 2kzr s TYR 47 Cb 0.07 -3.40 -0.21 0.00 -1.10 0.00 0.00 41.96 37.32 2kzr s TYR 47 CO 0.68 -1.48 2.60 -2.30 -2.51 0.00 0.00 175.55 172.54 2kzr n PRO 48 N -0.28 0.07 -2.62 -3.49 -0.02 -1.26 -4.93 135.00 122.48 2kzr n PRO 48 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 2kzr n PRO 48 Cb 0.47 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.29 2kzr n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kzr s PRO 49 N 8.53 4.29 -0.08 0.52 0.04 -1.26 -4.96 135.00 142.07 2kzr s PRO 49 Ca 1.32 1.46 0.10 0.00 0.04 0.00 0.00 61.00 63.91 2kzr s PRO 49 Cb -1.23 -2.61 0.44 0.00 0.04 0.00 0.00 34.50 31.14 2kzr s PRO 49 CO 0.50 -0.01 1.27 0.39 0.04 0.00 0.00 177.00 179.19 2kzr n GLU 50 N 0.10 2.77 -3.50 4.56 -0.58 -1.26 -4.90 120.64 117.84 2kzr n GLU 50 Ca 0.04 -1.74 -0.20 0.00 -0.42 0.00 0.00 57.16 54.85 2kzr n GLU 50 Cb 0.50 -1.70 0.09 0.00 -0.57 0.00 0.00 31.44 29.75 2kzr n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kzr n LEU 52 N -4.44 3.21 -4.53 0.00 -0.00 -1.26 -4.96 117.00 105.02 2kzr n LEU 52 Ca -0.19 1.08 -0.43 0.00 -0.00 0.00 0.00 56.01 56.48 2kzr n LEU 52 Cb 0.63 -1.45 -0.07 0.00 -0.00 0.00 0.00 43.42 42.54 2kzr n LEU 52 CO 0.63 -0.23 0.39 -0.62 -0.00 0.00 0.00 177.39 177.56 2kzr s ASP 53 N 0.94 6.35 -1.00 1.45 2.15 -1.26 -4.73 116.67 120.57 2kzr s ASP 53 Ca 0.78 -0.22 -0.24 0.00 0.43 0.00 0.00 52.55 53.31 2kzr s ASP 53 Cb -0.66 -2.33 -0.02 0.00 -0.30 0.00 0.00 42.92 39.61 2kzr s ASP 53 CO 0.37 -0.75 1.82 -0.76 -0.17 0.00 0.00 175.17 175.68 2kzr s LEU 54 N 2.83 3.27 -0.18 -1.34 1.02 -1.26 -4.83 118.68 118.19 2kzr s LEU 54 Ca 0.24 -1.11 0.04 0.00 0.02 0.00 0.00 54.13 53.31 2kzr s LEU 54 Cb -0.14 -2.57 0.35 0.00 0.02 0.00 0.00 46.19 43.85 2kzr s LEU 54 CO 0.18 -2.42 1.31 -1.54 0.02 0.00 0.00 176.35 173.90 2kzr n SER 55 N 12.55 3.33 -0.84 2.29 3.41 -1.26 -4.88 113.62 128.22 2kzr n SER 55 Ca 0.40 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 2kzr n SER 55 Cb 0.48 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2kzr n SER 55 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kzr n ASP 56 N -0.06 0.00 0.00 4.04 2.03 -1.26 -5.10 116.55 116.19 2kzr n ASP 56 Ca 0.23 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.70 2kzr n ASP 56 Cb 0.93 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 2kzr n ASP 56 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kzr n ARG 57 N 0.00 0.46 0.00 -0.67 0.00 -1.26 -4.85 116.66 110.33 2kzr n ARG 57 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 2kzr n ARG 57 Cb 0.00 -0.45 0.28 0.00 -0.00 0.00 0.00 32.46 32.29 2kzr n ARG 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kzr n ASP 58 N -0.46 0.74 -4.72 2.89 2.03 -1.26 -2.79 116.55 112.99 2kzr n ASP 58 Ca 0.00 -0.54 -0.42 0.00 0.52 0.00 0.00 54.79 54.34 2kzr n ASP 58 Cb 0.00 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2kzr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kzr n ILE 59 N -1.15 0.38 -2.91 5.18 3.06 -1.26 -4.60 119.36 118.06 2kzr n ILE 59 Ca 0.08 -0.10 -0.20 0.00 -2.50 0.00 0.00 62.75 60.04 2kzr n ILE 59 Cb 0.34 -1.92 0.02 0.00 0.54 0.00 0.00 39.64 38.62 2kzr n ILE 59 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2kzr s THR 60 N 0.70 3.14 0.14 9.51 -4.23 -1.26 -0.37 115.64 123.26 2kzr s THR 60 Ca 0.71 -0.79 0.34 0.00 -1.18 0.00 0.00 61.69 60.77 2kzr s THR 60 Cb -0.52 -3.12 0.39 0.00 1.34 0.00 0.00 72.50 70.59 2kzr s THR 60 CO 0.39 -0.07 2.00 -0.07 -0.54 0.00 0.00 174.62 176.33 2kzr h LEU 61 N 0.41 0.00 -1.25 4.79 3.38 -1.08 -1.90 115.31 119.66 2kzr h LEU 61 Ca -0.42 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2kzr h LEU 61 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2kzr h LEU 61 CO 0.51 0.01 -0.36 1.23 0.09 0.00 0.00 178.44 179.91 2kzr h GLY 62 N 1.93 0.00 0.79 0.83 0.00 -1.47 -3.20 103.07 101.95 2kzr h GLY 62 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2kzr h GLY 62 CO 0.00 0.00 -1.86 -1.80 0.00 0.00 0.00 176.54 172.88 2kzr h ASP 63 N 0.00 0.47 -4.26 0.19 1.82 -1.72 -3.48 116.42 109.45 2kzr h ASP 63 Ca -0.00 -0.87 -0.49 0.00 -0.39 0.00 0.00 57.03 55.28 2kzr h ASP 63 Cb 0.69 -0.15 0.04 0.00 0.68 0.00 0.00 39.33 40.58 2kzr h ASP 63 CO 0.05 1.76 0.39 -0.76 -1.61 0.00 0.00 179.24 179.07 2kzr s LEU 64 N -7.08 3.46 0.00 2.28 1.43 -0.77 -4.97 118.68 113.02 2kzr s LEU 64 Ca -0.18 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2kzr s LEU 64 Cb 0.06 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2kzr s LEU 64 CO 0.81 -0.75 0.37 -2.65 0.23 0.00 0.00 176.35 174.36 2kzr n PRO 65 N -2.08 0.65 -2.34 1.29 -0.02 -1.26 -4.81 135.00 126.43 2kzr n PRO 65 Ca 0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 2kzr n PRO 65 Cb 0.54 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.15 4.00 0.41 4.25 1.09 -1.26 -4.98 121.20 123.55 2kzr s ILE 66 Ca 0.00 1.33 0.07 0.00 -1.10 0.00 0.00 60.65 60.95 2kzr s ILE 66 Cb 0.00 -3.86 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 2kzr s ILE 66 CO 0.00 -0.02 0.03 -1.10 -0.10 0.00 0.00 174.94 173.75 2kzr s GLN 67 N 2.51 2.00 -0.70 2.79 -0.21 -1.26 -4.78 119.66 120.01 2kzr s GLN 67 Ca 0.60 -2.06 -0.26 0.00 0.02 0.00 0.00 55.36 53.66 2kzr s GLN 67 Cb -0.28 -1.69 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 2kzr s GLN 67 CO 0.23 -0.05 1.96 -1.54 -2.12 0.00 0.00 175.29 173.77 2kzr s SER 68 N -3.74 5.09 0.00 5.90 1.04 -1.26 -2.28 113.70 118.45 2kzr s SER 68 Ca 0.36 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2kzr s SER 68 Cb 0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2kzr s SER 68 CO 0.19 -2.61 0.00 0.61 0.98 0.00 0.00 173.24 172.41 2kzr n GLY 69 N 6.13 0.76 3.86 7.32 0.00 -1.23 -4.87 105.19 117.16 2kzr n GLY 69 Ca 0.29 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.66 6.37 -0.73 1.61 -1.08 -0.97 -4.35 116.67 114.86 2kzr s ASP 70 Ca 0.00 1.44 -0.23 0.00 -0.52 0.00 0.00 52.55 53.25 2kzr s ASP 70 Cb 0.00 -2.47 0.07 0.00 -1.46 0.00 0.00 42.92 39.06 2kzr s ASP 70 CO 0.00 -0.75 1.05 -0.32 0.52 0.00 0.00 175.17 175.67 2kzr s MET 71 N -4.76 3.22 -0.48 4.34 -2.45 -1.26 -1.48 119.30 116.44 2kzr s MET 71 Ca 0.56 -0.92 -0.19 0.00 -1.25 0.00 0.00 55.69 53.89 2kzr s MET 71 Cb -0.11 -4.39 0.05 0.00 1.25 0.00 0.00 34.83 31.63 2kzr s MET 71 CO 0.45 -1.87 0.57 -0.51 1.05 0.00 0.00 175.02 174.71 2kzr s LEU 72 N 4.11 4.94 -0.88 4.11 2.01 -0.43 -1.48 118.68 131.05 2kzr s LEU 72 Ca 0.27 -0.82 -0.25 0.00 0.01 0.00 0.00 54.13 53.34 2kzr s LEU 72 Cb -0.13 -2.45 0.01 0.00 0.01 0.00 0.00 46.19 43.63 2kzr s LEU 72 CO 0.07 -0.79 1.58 -0.63 1.01 0.00 0.00 176.35 177.58 2kzr s ILE 73 N 2.47 3.70 -0.63 -0.59 1.09 0.41 -0.81 121.20 126.84 2kzr s ILE 73 Ca 0.15 -0.31 -0.26 0.00 -1.10 0.00 0.00 60.65 59.13 2kzr s ILE 73 Cb -0.18 -4.64 0.04 0.00 -1.06 0.00 0.00 42.46 36.61 2kzr s ILE 73 CO 0.13 -1.56 1.12 -0.69 -0.10 0.00 0.00 174.94 173.84 2kzr s VAL 74 N 6.86 4.07 0.84 2.92 1.01 0.63 -3.86 120.40 132.86 2kzr s VAL 74 Ca 0.52 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 2kzr s VAL 74 Cb -0.05 -4.73 0.10 0.00 0.00 0.00 0.00 36.38 31.70 2kzr s VAL 74 CO 0.01 -1.45 1.17 -1.83 0.00 0.00 0.00 175.10 173.00 2kzr s GLU 75 N 4.80 1.74 -0.25 2.72 -1.05 -1.26 -4.15 118.70 121.25 2kzr s GLU 75 Ca 0.35 0.15 -0.01 0.00 -0.15 0.00 0.00 54.97 55.31 2kzr s GLU 75 Cb -0.10 -1.92 0.07 0.00 -0.44 0.00 0.00 34.13 31.74 2kzr s GLU 75 CO 0.19 -1.76 0.02 -2.00 0.95 0.00 0.00 175.26 172.66 2kzr s GLU 76 N -5.51 1.09 0.00 -4.83 2.12 -1.24 -3.92 118.70 106.41 2kzr s GLU 76 Ca 0.63 -0.89 0.31 0.00 0.36 0.00 0.00 54.97 55.37 2kzr s GLU 76 Cb -0.12 -2.33 1.63 0.00 0.26 0.00 0.00 34.13 33.56 2kzr s GLU 76 CO 0.50 -0.73 2.10 -3.47 -0.54 0.00 0.00 175.26 173.13 2kzr n ASP 77 N 4.81 0.02 0.00 -1.70 2.03 -0.74 -4.94 116.55 116.02 2kzr n ASP 77 Ca -0.08 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.82 2kzr n ASP 77 Cb 0.44 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.19 0.00 -2.15 -0.67 1.13 -1.26 -4.89 117.38 108.35 2kzr n GLN 78 Ca 0.17 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.85 2kzr n GLN 78 Cb 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.52 2kzr n GLN 78 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2kzr s THR 79 N 0.00 3.43 0.06 5.09 -1.32 -1.26 -4.94 115.64 116.71 2kzr s THR 79 Ca 0.00 0.22 -0.13 0.00 -1.21 0.00 0.00 61.69 60.57 2kzr s THR 79 Cb 0.00 -4.15 0.02 0.00 -1.51 0.00 0.00 72.50 66.86 2kzr s THR 79 CO 0.00 -1.11 0.28 0.00 -2.21 0.00 0.00 174.62 171.58 2kzr s ARG 80 N 6.77 0.84 -0.83 7.08 1.70 -1.26 -4.71 118.95 128.53 2kzr s ARG 80 Ca 0.61 -0.64 -0.23 0.00 -0.47 0.00 0.00 55.73 55.00 2kzr s ARG 80 Cb -0.11 0.36 -0.18 0.00 -0.57 0.00 0.00 34.95 34.44 2kzr s ARG 80 CO 0.19 -0.27 2.32 -2.30 -1.08 0.00 0.00 175.30 174.16 2kzr n PRO 81 N 0.36 0.42 -3.42 3.89 -0.02 -1.26 -4.90 135.00 130.07 2kzr n PRO 81 Ca -0.18 -0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 60.10 2kzr n PRO 81 Cb 0.61 -3.22 -0.08 0.00 -0.02 0.00 0.00 33.50 30.78 2kzr n PRO 81 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kzr s LYS 82 N 8.51 2.91 0.00 -0.52 2.36 -1.26 -4.77 119.74 126.97 2kzr s LYS 82 Ca 0.97 -1.40 0.00 0.00 -2.55 0.00 0.00 55.97 52.99 2kzr s LYS 82 Cb -0.24 -4.08 0.00 0.00 -1.05 0.00 0.00 37.83 32.46 2kzr s LYS 82 CO 0.17 -1.04 0.01 0.00 1.55 0.00 0.00 175.35 176.04 2kzr n ALA 83 N 5.15 0.27 -2.70 3.13 0.00 -1.26 -5.10 120.51 120.00 2kzr n ALA 83 Ca -0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 2kzr n ALA 83 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 2kzr n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kzr s SER 84 N -0.12 1.46 0.23 0.00 0.01 -1.26 -5.04 113.70 108.98 2kzr s SER 84 Ca 0.00 -0.48 0.26 0.00 1.31 0.00 0.00 55.95 57.04 2kzr s SER 84 Cb 0.00 -0.07 0.81 0.00 0.21 0.00 0.00 66.02 66.97 2kzr s SER 84 CO 0.00 -0.02 1.77 -0.81 0.41 0.00 0.00 173.24 174.58 2kzr n PRO 85 N 1.78 0.27 0.00 12.44 -0.04 -1.26 -5.21 135.00 142.97 2kzr n PRO 85 Ca -0.19 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kzr n PRO 85 Cb 0.55 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2kzr n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89