#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 4.00 -0.08 -0.99 0.52 -1.26 -3.16 118.95 117.98 2kzr s ARG 2 Ca 0.00 -2.61 -0.12 0.00 -0.52 0.00 0.00 55.73 52.47 2kzr s ARG 2 Cb 0.00 -4.85 -0.05 0.00 0.52 0.00 0.00 34.95 30.57 2kzr s ARG 2 CO 0.00 -1.59 0.30 0.08 0.02 0.00 0.00 175.30 174.11 2kzr s VAL 3 N 0.88 5.25 0.14 3.52 1.01 -1.18 -2.31 120.40 127.72 2kzr s VAL 3 Ca 0.36 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.71 2kzr s VAL 3 Cb -0.06 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2kzr s VAL 3 CO -0.04 0.53 0.65 -0.13 0.00 0.00 0.00 175.10 176.11 2kzr s ARG 4 N -0.59 4.27 -0.29 2.72 0.52 -0.97 -1.28 118.95 123.32 2kzr s ARG 4 Ca 0.19 0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 56.23 2kzr s ARG 4 Cb -0.14 -3.12 0.09 0.00 0.52 0.00 0.00 34.95 32.31 2kzr s ARG 4 CO 0.08 0.54 0.08 0.00 0.02 0.00 0.00 175.30 176.02 2kzr s LYS 6 N 1.58 4.14 0.14 0.00 2.47 0.03 -1.04 119.74 127.06 2kzr s LYS 6 Ca 0.07 1.58 -0.01 0.00 -1.56 0.00 0.00 55.97 56.06 2kzr s LYS 6 Cb -0.17 -3.81 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2kzr s LYS 6 CO -0.21 -0.83 0.20 0.00 0.16 0.00 0.00 175.35 174.67 2kzr n ALA 7 N 6.92 -0.11 -2.00 3.13 0.00 -0.91 -0.52 120.51 127.02 2kzr n ALA 7 Ca 0.14 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2kzr n ALA 7 Cb 0.45 0.54 -0.03 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.34 4.26 0.00 0.00 3.01 -1.26 -2.25 119.74 121.16 2kzr s LYS 8 Ca 0.12 2.26 0.00 0.00 -1.01 0.00 0.00 55.97 57.34 2kzr s LYS 8 Cb -0.00 -3.18 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 2kzr s LYS 8 CO 0.09 -0.51 0.00 0.41 0.51 0.00 0.00 175.35 175.84 2kzr n GLY 9 N 3.38 2.86 0.00 -3.33 0.00 -1.26 -5.00 105.19 101.85 2kzr n GLY 9 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.02 0.83 3.69 -0.02 0.00 -0.96 -5.05 105.19 102.67 2kzr n GLY 10 Ca 0.00 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.93 4.94 -0.29 2.61 2.01 -1.26 -2.15 115.64 119.56 2kzr s THR 11 Ca 0.00 1.57 -0.04 0.00 0.31 0.00 0.00 61.69 63.53 2kzr s THR 11 Cb 0.00 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.44 2kzr s THR 11 CO 0.00 0.11 0.03 -1.00 -0.69 0.00 0.00 174.62 173.07 2kzr s HIS 12 N 1.65 3.18 -0.19 4.92 3.76 -0.21 -4.92 115.29 123.48 2kzr s HIS 12 Ca 0.38 -1.46 -0.29 0.00 -0.15 0.00 0.00 55.06 53.54 2kzr s HIS 12 Cb -0.17 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2kzr s HIS 12 CO 0.15 -0.71 1.03 -1.17 -0.85 0.00 0.00 174.74 173.19 2kzr s LEU 13 N 1.37 4.14 0.07 0.89 2.96 -1.26 -1.34 118.68 125.51 2kzr s LEU 13 Ca -0.01 1.42 -0.29 0.00 -0.22 0.00 0.00 54.13 55.03 2kzr s LEU 13 Cb -0.18 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2kzr s LEU 13 CO -0.00 -0.60 0.91 -0.76 -1.32 0.00 0.00 176.35 174.57 2kzr s LEU 14 N 2.85 4.45 0.14 -0.68 1.02 -0.40 -4.98 118.68 121.08 2kzr s LEU 14 Ca 0.45 1.66 0.04 0.00 0.02 0.00 0.00 54.13 56.30 2kzr s LEU 14 Cb -0.16 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 2kzr s LEU 14 CO 0.09 -0.09 0.13 -1.10 0.02 0.00 0.00 176.35 175.40 2kzr s GLN 15 N 0.23 2.92 -1.23 1.70 -1.52 -1.26 -3.12 119.66 117.38 2kzr s GLN 15 Ca 0.46 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 2kzr s GLN 15 Cb -0.22 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 2kzr s GLN 15 CO 0.27 0.51 0.00 0.41 -0.25 0.00 0.00 175.29 176.24 2kzr n GLY 16 N -0.10 0.78 3.65 3.09 0.00 -1.26 -4.98 105.19 106.37 2kzr n GLY 16 Ca -0.08 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.15 4.04 0.55 0.99 1.43 -1.19 -4.89 118.68 116.46 2kzr s LEU 17 Ca 0.00 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2kzr s LEU 17 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2kzr s LEU 17 CO 0.00 -0.86 0.89 -0.94 0.23 0.00 0.00 176.35 175.67 2kzr s SER 18 N 2.00 6.05 0.46 2.29 1.04 -1.26 -0.32 113.70 123.97 2kzr s SER 18 Ca 0.51 1.01 0.32 0.00 0.48 0.00 0.00 55.95 58.27 2kzr s SER 18 Cb -0.17 -2.16 1.51 0.00 0.10 0.00 0.00 66.02 65.30 2kzr s SER 18 CO 0.15 -0.81 1.95 0.77 0.98 0.00 0.00 173.24 176.29 2kzr h SER 19 N -0.05 0.00 -0.39 7.02 4.64 -1.98 -2.19 113.55 120.60 2kzr h SER 19 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2kzr h SER 19 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2kzr h SER 19 CO 0.62 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.12 2kzr n ARG 20 N -2.70 3.50 -1.82 4.77 5.12 -1.26 -3.63 116.66 120.63 2kzr n ARG 20 Ca -0.00 -2.86 -0.42 0.00 -1.93 0.00 0.00 57.85 52.64 2kzr n ARG 20 Cb 0.17 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 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 -2.54 3.28 0.89 0.55 2.01 -0.83 -4.76 115.64 114.23 2kzr s THR 21 Ca 0.44 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 2kzr s THR 21 Cb 0.34 -3.22 0.17 0.00 0.01 0.00 0.00 72.50 69.80 2kzr s THR 21 CO 0.13 -0.03 1.23 -0.13 -0.69 0.00 0.00 174.62 175.13 2kzr s ARG 22 N 4.30 1.06 0.10 4.92 0.52 -1.26 -2.02 118.95 126.57 2kzr s ARG 22 Ca 0.82 -0.47 -0.33 0.00 -0.52 0.00 0.00 55.73 55.23 2kzr s ARG 22 Cb -0.38 -1.96 -0.14 0.00 0.52 0.00 0.00 34.95 32.99 2kzr s ARG 22 CO 0.36 -2.09 1.52 1.25 0.02 0.00 0.00 175.30 176.37 2kzr h LEU 23 N -1.32 -1.50 -1.96 2.53 6.46 -1.15 0.36 115.31 118.73 2kzr h LEU 23 Ca -0.43 0.16 0.17 0.00 -0.12 0.00 0.00 57.88 57.65 2kzr h LEU 23 Cb 1.26 0.55 -0.03 0.00 -0.73 0.00 0.00 40.66 41.71 2kzr h LEU 23 CO 0.43 -0.53 0.43 0.08 -0.62 0.00 0.00 178.44 178.23 2kzr h ARG 24 N -0.73 0.04 0.18 1.25 0.11 -1.90 -0.42 114.38 112.91 2kzr h ARG 24 Ca -0.01 -0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.73 2kzr h ARG 24 Cb 0.72 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.81 2kzr h ARG 24 CO -0.26 0.03 -1.64 0.93 0.10 0.00 0.00 179.97 179.13 2kzr h GLU 25 N 0.04 0.39 0.09 0.08 4.39 -1.80 -2.86 114.58 114.91 2kzr h GLU 25 Ca 0.29 -0.66 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 2kzr h GLU 25 Cb 1.10 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2kzr h GLU 25 CO -0.01 1.29 -0.04 1.25 -1.16 0.00 0.00 179.01 180.33 2kzr h LEU 26 N 0.11 -0.10 -1.34 1.33 7.12 -0.05 -2.61 115.31 119.76 2kzr h LEU 26 Ca -0.30 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.72 2kzr h LEU 26 Cb 2.09 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 42.25 2kzr h LEU 26 CO 0.19 0.04 0.00 1.56 -0.13 0.00 0.00 178.44 180.10 2kzr h GLN 27 N -0.33 0.00 -0.31 1.25 4.20 -1.34 -1.98 115.11 116.61 2kzr h GLN 27 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 2kzr h GLN 27 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2kzr h GLN 27 CO 0.02 0.00 -0.32 0.78 -0.67 0.00 0.00 178.83 178.64 2kzr h GLY 28 N 1.54 0.82 1.18 3.46 0.00 -1.57 -2.29 103.07 106.21 2kzr h GLY 28 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 47.33 46.32 2kzr h GLY 28 CO 0.00 0.76 -0.44 1.46 0.00 0.00 0.00 176.54 178.33 2kzr h GLN 29 N 0.51 0.89 -0.78 4.80 4.20 -0.96 -3.10 115.11 120.66 2kzr h GLN 29 Ca 0.05 -0.49 0.05 0.00 0.06 0.00 0.00 58.65 58.31 2kzr h GLN 29 Cb 0.89 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.65 2kzr h GLN 29 CO 0.08 1.14 0.47 0.82 -0.67 0.00 0.00 178.83 180.67 2kzr h ILE 30 N 0.71 1.05 0.00 2.54 2.04 -1.47 0.13 117.51 122.50 2kzr h ILE 30 Ca 0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2kzr h ILE 30 Cb 1.03 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2kzr h ILE 30 CO 0.10 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 178.36 2kzr h ALA 31 N 1.36 1.32 0.07 1.87 0.00 -1.35 -0.87 119.26 121.67 2kzr h ALA 31 Ca 0.33 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.86 2kzr h ALA 31 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kzr h ALA 31 CO -0.15 0.07 -1.89 0.00 0.00 0.00 0.00 179.25 177.28 2kzr n ALA 32 N -2.26 1.16 -0.03 0.00 0.00 -0.46 -3.53 120.51 115.39 2kzr n ALA 32 Ca -0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 2kzr n ALA 32 Cb 0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 2.04 -0.43 -3.39 117.51 115.76 2kzr h ILE 33 Ca -0.37 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2kzr h ILE 33 Cb 2.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2kzr h ILE 33 CO 0.08 0.00 -0.20 1.07 0.00 0.00 0.00 178.15 179.11 2kzr n THR 34 N -3.56 0.00 0.00 -0.27 5.66 -0.42 -4.86 114.28 110.83 2kzr n THR 34 Ca -0.02 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2kzr n THR 34 Cb 0.09 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 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 1.31 2.64 3.61 1.09 0.00 -0.68 -4.91 105.19 108.25 2kzr n GLY 35 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.87 3.74 0.46 -0.61 -1.09 -1.23 -4.41 121.20 115.18 2kzr s ILE 36 Ca 0.00 0.78 -0.24 0.00 -2.23 0.00 0.00 60.65 58.96 2kzr s ILE 36 Cb 0.00 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2kzr s ILE 36 CO 0.00 -0.52 1.10 0.00 -1.23 0.00 0.00 174.94 174.28 2kzr n ALA 37 N 9.11 0.58 0.23 9.38 0.00 -1.26 -3.11 120.51 135.44 2kzr n ALA 37 Ca 0.19 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.95 2kzr n ALA 37 Cb 0.47 -2.15 0.74 0.00 0.00 0.00 0.00 19.45 18.51 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 1.53 0.00 -0.95 0.00 0.13 -1.92 0.55 132.00 131.34 2kzr h PRO 38 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 2kzr h PRO 38 Cb 1.33 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 2kzr h PRO 38 CO 0.57 0.00 0.32 0.41 -0.23 0.00 0.00 178.00 179.07 2kzr n GLY 39 N -1.48 3.29 0.08 1.56 0.00 -1.26 -3.64 105.19 103.74 2kzr n GLY 39 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.32 0.12 -3.78 1.61 7.64 0.18 -4.91 113.62 114.16 2kzr n SER 40 Ca 0.32 -1.22 -0.10 0.00 1.01 0.00 0.00 58.87 58.89 2kzr n SER 40 Cb 1.14 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.07 1.03 0.00 1.43 -2.07 -1.22 -1.21 119.66 117.55 2kzr s GLN 41 Ca 0.00 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 2kzr s GLN 41 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 2kzr s GLN 41 CO 0.00 -0.38 0.00 0.54 -1.32 0.00 0.00 175.29 174.13 2kzr n ARG 42 N -0.18 0.00 -3.68 9.60 1.74 -1.26 -4.94 116.66 117.95 2kzr n ARG 42 Ca -0.14 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.55 2kzr n ARG 42 Cb 0.63 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.95 2kzr n ARG 42 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kzr s ILE 43 N -2.08 4.20 0.23 0.55 -1.09 -1.16 -4.38 121.20 117.47 2kzr s ILE 43 Ca 0.00 -0.93 0.12 0.00 -2.23 0.00 0.00 60.65 57.61 2kzr s ILE 43 Cb 0.00 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 2kzr s ILE 43 CO 0.00 -0.17 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.56 2kzr s LEU 44 N 1.49 2.50 0.27 2.97 2.01 -1.10 -3.38 118.68 123.44 2kzr s LEU 44 Ca 0.01 -0.93 0.03 0.00 0.01 0.00 0.00 54.13 53.25 2kzr s LEU 44 Cb -0.19 -1.14 -0.06 0.00 0.01 0.00 0.00 46.19 44.81 2kzr s LEU 44 CO 0.05 0.09 0.03 0.68 1.01 0.00 0.00 176.35 178.21 2kzr s VAL 45 N -2.02 1.02 0.11 -1.59 -7.23 -1.26 -0.79 120.40 108.65 2kzr s VAL 45 Ca 0.25 -2.02 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 2kzr s VAL 45 Cb -0.07 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 2kzr s VAL 45 CO 0.12 -0.16 1.74 1.23 -0.31 0.00 0.00 175.10 177.72 2kzr h GLY 46 N 2.34 0.14 -1.43 2.32 0.00 -1.78 -3.42 103.07 101.25 2kzr h GLY 46 Ca -0.39 -0.01 -0.51 0.00 0.00 0.00 0.00 47.33 46.42 2kzr h GLY 46 CO 0.66 0.01 0.37 -2.52 0.00 0.00 0.00 176.54 175.05 2kzr s TYR 47 N -6.19 3.01 -0.40 5.60 -0.85 -1.26 -4.94 117.35 112.33 2kzr s TYR 47 Ca -0.13 1.46 -0.39 0.00 -0.52 0.00 0.00 57.07 57.49 2kzr s TYR 47 Cb 0.08 -2.93 -0.15 0.00 0.38 0.00 0.00 41.96 39.34 2kzr s TYR 47 CO 0.68 -1.28 2.11 -2.30 -1.52 0.00 0.00 175.55 173.23 2kzr n PRO 48 N -2.92 0.68 -1.59 -3.49 -0.02 -1.26 -4.99 135.00 121.41 2kzr n PRO 48 Ca 0.08 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 2kzr n PRO 48 Cb 0.53 -2.06 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 2kzr n PRO 48 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kzr n PRO 49 N 7.53 -0.53 -0.89 0.52 -0.04 -1.26 -4.99 135.00 135.33 2kzr n PRO 49 Ca 0.44 -1.64 0.05 0.00 -0.04 0.00 0.00 63.50 62.32 2kzr n PRO 49 Cb 0.12 -0.78 0.15 0.00 -0.04 0.00 0.00 33.50 32.95 2kzr n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kzr n GLU 50 N -2.73 1.14 -3.35 0.54 1.02 -1.26 -4.99 120.64 111.01 2kzr n GLU 50 Ca 0.12 -2.93 -0.15 0.00 -0.02 0.00 0.00 57.16 54.17 2kzr n GLU 50 Cb 0.41 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 30.72 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 -5.17 3.52 -0.34 0.00 1.43 -1.22 -4.96 118.68 111.95 2kzr s LEU 52 Ca 0.27 1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 54.27 2kzr s LEU 52 Cb -0.06 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2kzr s LEU 52 CO 0.79 -1.64 0.44 -0.62 0.23 0.00 0.00 176.35 175.55 2kzr s ASP 53 N 5.37 6.26 -0.90 2.29 2.15 -1.26 -3.00 116.67 127.58 2kzr s ASP 53 Ca 0.72 -0.06 -0.23 0.00 0.43 0.00 0.00 52.55 53.41 2kzr s ASP 53 Cb -0.19 -2.23 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 2kzr s ASP 53 CO 0.33 -0.39 1.29 -0.76 -0.17 0.00 0.00 175.17 175.47 2kzr s LEU 54 N 2.21 3.81 -0.13 -1.34 1.02 -1.26 -4.85 118.68 118.14 2kzr s LEU 54 Ca 0.16 -1.28 -0.22 0.00 0.02 0.00 0.00 54.13 52.81 2kzr s LEU 54 Cb -0.16 -2.52 -0.19 0.00 0.02 0.00 0.00 46.19 43.34 2kzr s LEU 54 CO 0.12 -1.50 0.58 0.77 0.02 0.00 0.00 176.35 176.35 2kzr h SER 55 N 9.65 -0.00 -3.41 2.29 4.64 -2.02 -3.46 113.55 121.23 2kzr h SER 55 Ca 0.03 -0.73 -0.55 0.00 -0.47 0.00 0.00 61.79 60.07 2kzr h SER 55 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 2kzr h SER 55 CO 1.31 0.86 0.22 -0.62 -0.87 0.00 0.00 176.83 177.73 2kzr s ASP 56 N -6.04 7.21 0.46 4.97 -1.08 -1.26 -4.97 116.67 115.97 2kzr s ASP 56 Ca -0.14 1.46 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 2kzr s ASP 56 Cb -0.02 -2.49 0.93 0.00 -1.46 0.00 0.00 42.92 39.88 2kzr s ASP 56 CO 0.51 -0.12 1.83 0.08 0.52 0.00 0.00 175.17 177.99 2kzr h ARG 57 N 6.36 0.00 -0.01 4.34 -0.00 -2.01 -3.08 114.38 119.98 2kzr h ARG 57 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 2kzr h ARG 57 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2kzr h ARG 57 CO 0.74 0.17 -0.31 -3.47 -0.00 0.00 0.00 179.97 177.10 2kzr n ASP 58 N -3.29 1.12 -4.67 0.08 2.03 -1.26 -3.11 116.55 107.45 2kzr n ASP 58 Ca 0.01 -0.94 -0.43 0.00 0.52 0.00 0.00 54.79 53.95 2kzr n ASP 58 Cb 0.43 0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.62 0.68 -2.54 5.18 3.06 -1.17 -4.63 119.36 119.31 2kzr n ILE 59 Ca 0.11 -0.12 -0.23 0.00 -2.50 0.00 0.00 62.75 60.01 2kzr n ILE 59 Cb 0.36 -2.26 0.08 0.00 0.54 0.00 0.00 39.64 38.36 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 4.10 2.37 -1.52 9.51 -4.23 -1.26 -1.34 115.64 123.26 2kzr s THR 60 Ca 0.88 -0.57 0.16 0.00 -1.18 0.00 0.00 61.69 60.98 2kzr s THR 60 Cb -0.46 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 70.89 2kzr s THR 60 CO 0.42 0.00 1.43 0.18 -0.54 0.00 0.00 174.62 176.11 2kzr n LEU 61 N -2.66 0.00 0.08 4.79 4.77 -0.86 -2.01 117.00 121.11 2kzr n LEU 61 Ca 0.11 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 2kzr n LEU 61 Cb 0.60 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2kzr n LEU 61 CO 0.45 -0.12 0.19 1.23 -1.33 0.00 0.00 177.39 177.81 2kzr h GLY 62 N 2.57 0.04 0.04 -0.72 0.00 -1.89 -3.36 103.07 99.75 2kzr h GLY 62 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 47.33 46.92 2kzr h GLY 62 CO 0.00 0.08 -1.74 1.34 0.00 0.00 0.00 176.54 176.22 2kzr n ASP 63 N -3.46 1.91 -4.74 0.19 -0.08 -0.99 -4.90 116.55 104.48 2kzr n ASP 63 Ca -0.01 0.36 -0.42 0.00 -1.51 0.00 0.00 54.79 53.22 2kzr n ASP 63 Cb 0.88 -0.90 -0.02 0.00 2.34 0.00 0.00 41.12 43.42 2kzr n ASP 63 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2kzr s LEU 64 N -7.66 4.37 -1.12 -2.67 1.43 -0.85 -4.92 118.68 107.26 2kzr s LEU 64 Ca -0.32 2.71 -0.23 0.00 -1.03 0.00 0.00 54.13 55.27 2kzr s LEU 64 Cb 0.09 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2kzr s LEU 64 CO 0.57 -0.80 1.93 -2.65 0.23 0.00 0.00 176.35 175.64 2kzr n PRO 65 N 2.95 1.55 -4.22 1.29 -0.02 -1.26 -4.65 135.00 130.65 2kzr n PRO 65 Ca 0.10 -2.36 -0.31 0.00 -2.02 0.00 0.00 63.50 58.91 2kzr n PRO 65 Cb 0.39 -3.61 -0.16 0.00 -0.02 0.00 0.00 33.50 30.09 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 10.27 1.71 0.20 4.25 1.09 -1.26 -4.93 121.20 132.52 2kzr s ILE 66 Ca 0.67 -0.74 0.11 0.00 -1.10 0.00 0.00 60.65 59.59 2kzr s ILE 66 Cb 0.02 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.80 2kzr s ILE 66 CO 0.14 0.48 -0.18 -1.10 -0.10 0.00 0.00 174.94 174.18 2kzr s GLN 67 N 1.25 1.74 -0.37 2.79 -1.52 -1.26 -4.86 119.66 117.42 2kzr s GLN 67 Ca 0.01 -1.46 -0.28 0.00 -1.95 0.00 0.00 55.36 51.69 2kzr s GLN 67 Cb -0.14 -1.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.67 2kzr s GLN 67 CO -0.08 0.40 2.00 0.45 -0.25 0.00 0.00 175.29 177.82 2kzr s SER 68 N -2.82 5.47 0.00 5.90 0.15 -1.26 -2.03 113.70 119.11 2kzr s SER 68 Ca 0.23 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2kzr s SER 68 Cb -0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2kzr s SER 68 CO 0.12 -2.06 0.00 0.61 1.20 0.00 0.00 173.24 173.12 2kzr n GLY 69 N 5.64 0.71 3.91 9.45 0.00 -0.98 -4.93 105.19 118.99 2kzr n GLY 69 Ca 0.26 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.16 5.74 -0.59 1.61 2.15 -0.86 -4.72 116.67 117.83 2kzr s ASP 70 Ca 0.00 0.89 -0.21 0.00 0.43 0.00 0.00 52.55 53.66 2kzr s ASP 70 Cb 0.00 -1.91 0.08 0.00 -0.30 0.00 0.00 42.92 40.79 2kzr s ASP 70 CO 0.00 -1.01 0.79 -0.32 -0.17 0.00 0.00 175.17 174.46 2kzr s MET 71 N -5.03 3.11 -0.25 4.34 -2.45 -1.26 -2.30 119.30 115.45 2kzr s MET 71 Ca 0.54 -0.99 -0.10 0.00 -1.25 0.00 0.00 55.69 53.89 2kzr s MET 71 Cb -0.11 -4.20 -0.04 0.00 1.25 0.00 0.00 34.83 31.73 2kzr s MET 71 CO 0.47 -1.56 0.14 -0.51 1.05 0.00 0.00 175.02 174.61 2kzr s LEU 72 N 3.21 3.92 -0.33 4.11 2.01 -0.75 -1.88 118.68 128.99 2kzr s LEU 72 Ca 0.17 0.01 -0.19 0.00 0.01 0.00 0.00 54.13 54.13 2kzr s LEU 72 Cb -0.20 -2.06 -0.01 0.00 0.01 0.00 0.00 46.19 43.94 2kzr s LEU 72 CO 0.10 0.02 0.57 -0.63 1.01 0.00 0.00 176.35 177.42 2kzr s ILE 73 N 1.29 4.97 -0.45 -0.59 1.09 0.03 -0.79 121.20 126.76 2kzr s ILE 73 Ca 0.07 0.60 -0.24 0.00 -1.10 0.00 0.00 60.65 59.98 2kzr s ILE 73 Cb -0.14 -3.98 0.03 0.00 -1.06 0.00 0.00 42.46 37.30 2kzr s ILE 73 CO 0.06 -0.18 0.84 -0.69 -0.10 0.00 0.00 174.94 174.87 2kzr s VAL 74 N 2.52 4.58 0.23 2.92 1.01 0.33 -2.69 120.40 129.30 2kzr s VAL 74 Ca 0.22 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 2kzr s VAL 74 Cb -0.15 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2kzr s VAL 74 CO 0.13 -0.74 1.04 -1.83 0.00 0.00 0.00 175.10 173.69 2kzr s GLU 75 N 3.47 4.70 -0.41 2.72 -1.05 -1.26 -4.23 118.70 122.64 2kzr s GLU 75 Ca 0.33 1.66 -0.13 0.00 -0.15 0.00 0.00 54.97 56.68 2kzr s GLU 75 Cb -0.11 -3.25 0.04 0.00 -0.44 0.00 0.00 34.13 30.36 2kzr s GLU 75 CO 0.24 0.28 0.27 -2.00 0.95 0.00 0.00 175.26 175.00 2kzr s GLU 76 N -1.01 2.87 0.40 -4.83 2.12 -1.26 -3.89 118.70 113.11 2kzr s GLU 76 Ca 0.45 -1.14 0.22 0.00 0.36 0.00 0.00 54.97 54.85 2kzr s GLU 76 Cb -0.29 -3.89 0.42 0.00 0.26 0.00 0.00 34.13 30.64 2kzr s GLU 76 CO 0.36 -0.80 1.62 0.22 -0.54 0.00 0.00 175.26 176.12 2kzr h ASP 77 N 8.55 0.00 -2.42 -1.70 3.58 -1.56 -3.48 116.42 119.40 2kzr h ASP 77 Ca -0.26 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.82 2kzr h ASP 77 Cb 1.11 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 2kzr h ASP 77 CO 0.73 0.17 -0.46 0.00 -2.88 0.00 0.00 179.24 176.81 2kzr n GLN 78 N -3.17 -1.46 0.00 0.28 6.02 -1.26 -4.89 117.38 112.90 2kzr n GLN 78 Ca 0.03 0.94 0.12 0.00 -0.01 0.00 0.00 57.00 58.08 2kzr n GLN 78 Cb 0.56 -5.44 0.61 0.00 1.02 0.00 0.00 30.24 26.98 2kzr n GLN 78 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2kzr n THR 79 N -3.80 0.23 -3.45 5.09 5.66 -1.26 -4.85 114.28 111.89 2kzr n THR 79 Ca -0.22 0.06 -0.11 0.00 -3.05 0.00 0.00 64.05 60.73 2kzr n THR 79 Cb 0.66 -0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 68.78 2kzr n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kzr s ARG 80 N -2.65 1.14 0.76 1.09 1.70 -1.26 -5.14 118.95 114.58 2kzr s ARG 80 Ca 0.21 -0.41 -0.12 0.00 -0.47 0.00 0.00 55.73 54.94 2kzr s ARG 80 Cb 0.17 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 35.12 2kzr s ARG 80 CO 0.39 -0.50 1.10 -1.25 -1.08 0.00 0.00 175.30 173.97 2kzr s PRO 81 N -3.54 2.28 -0.01 3.89 0.04 -1.26 -5.05 135.00 131.35 2kzr s PRO 81 Ca 0.02 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2kzr s PRO 81 Cb -0.01 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2kzr s PRO 81 CO -0.12 -1.64 0.03 -1.59 0.04 0.00 0.00 177.00 173.72 2kzr s LYS 82 N -4.67 0.11 -0.35 4.56 0.00 -1.26 -4.97 119.74 113.16 2kzr s LYS 82 Ca 0.63 -0.09 -0.13 0.00 0.00 0.00 0.00 55.97 56.38 2kzr s LYS 82 Cb -0.19 0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.67 2kzr s LYS 82 CO 0.52 -0.02 0.25 0.00 0.00 0.00 0.00 175.35 176.11 2kzr s ALA 83 N -0.31 3.50 -0.47 0.59 0.00 -1.26 -5.07 121.76 118.74 2kzr s ALA 83 Ca -0.04 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 2kzr s ALA 83 Cb -0.02 -2.70 0.09 0.00 0.00 0.00 0.00 23.12 20.49 2kzr s ALA 83 CO -0.00 -1.02 0.37 -1.54 0.00 0.00 0.00 175.76 173.57 2kzr s SER 84 N 1.72 5.95 0.70 0.00 1.04 -1.26 -4.70 113.70 117.15 2kzr s SER 84 Ca 0.06 -1.55 -0.11 0.00 0.48 0.00 0.00 55.95 54.83 2kzr s SER 84 Cb -0.17 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2kzr s SER 84 CO 0.11 -0.66 1.08 -2.16 0.98 0.00 0.00 173.24 172.58 2kzr s PRO 85 N 1.53 2.90 0.00 4.02 0.04 -1.26 -5.02 135.00 137.22 2kzr s PRO 85 Ca 0.04 0.61 0.26 0.00 0.04 0.00 0.00 61.00 61.94 2kzr s PRO 85 Cb -0.25 -2.01 1.53 0.00 0.04 0.00 0.00 34.50 33.80 2kzr s PRO 85 CO 0.04 -1.04 1.88 0.43 0.04 0.00 0.00 177.00 178.35