#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5x n GLU 2 N 0.00 3.07 -4.04 0.03 4.71 -1.26 -4.91 120.64 118.24 2k5x n GLU 2 Ca 0.00 -1.95 -0.29 0.00 -0.01 0.00 0.00 57.16 54.91 2k5x n GLU 2 Cb 0.00 -2.42 -0.06 0.00 -1.01 0.00 0.00 31.44 27.95 2k5x n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k5x s LEU 3 N -0.45 3.88 0.26 -4.62 1.43 -1.26 -5.09 118.68 112.83 2k5x s LEU 3 Ca 0.66 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.67 2k5x s LEU 3 Cb 0.25 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 2k5x s LEU 3 CO -0.06 0.13 0.56 -0.54 0.23 0.00 0.00 176.35 176.67 2k5x s LYS 4 N -2.66 3.72 0.30 1.70 -0.14 -1.26 -5.00 119.74 116.40 2k5x s LYS 4 Ca 0.31 0.16 0.16 0.00 -1.36 0.00 0.00 55.97 55.24 2k5x s LYS 4 Cb -0.12 -2.64 0.18 0.00 -1.68 0.00 0.00 37.83 33.58 2k5x s LYS 4 CO 0.23 0.25 1.50 0.45 -0.76 0.00 0.00 175.35 177.02 2k5x h HIS 5 N 2.10 0.00 -2.01 3.18 3.86 -1.98 -3.48 115.15 116.83 2k5x h HIS 5 Ca -0.47 0.00 0.37 0.00 -1.16 0.00 0.00 60.37 59.10 2k5x h HIS 5 Cb 1.18 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.57 2k5x h HIS 5 CO 0.60 0.47 0.94 -1.12 0.86 0.00 0.00 177.93 179.68 2k5x s SER 6 N -6.44 0.00 0.27 2.45 0.01 -1.26 -4.93 113.70 103.79 2k5x s SER 6 Ca 0.03 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 2k5x s SER 6 Cb 0.08 0.10 0.48 0.00 0.21 0.00 0.00 66.02 66.90 2k5x s SER 6 CO 0.73 -0.20 1.83 -0.29 0.41 0.00 0.00 173.24 175.72 2k5x h ILE 7 N 2.00 0.92 0.00 1.44 2.10 -1.62 -3.10 117.51 119.25 2k5x h ILE 7 Ca -0.22 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2k5x h ILE 7 Cb 1.18 -0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 2k5x h ILE 7 CO 0.30 0.17 0.00 -1.20 -1.08 0.00 0.00 178.15 176.34 2k5x n SER 8 N -4.66 0.01 -0.16 2.19 7.64 -1.26 0.35 113.62 117.73 2k5x n SER 8 Ca 0.17 -0.06 0.05 0.00 1.01 0.00 0.00 58.87 60.04 2k5x n SER 8 Cb 0.32 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.58 2k5x n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k5x n ASP 9 N -0.09 1.51 -4.85 6.43 2.03 -1.17 -4.27 116.55 116.12 2k5x n ASP 9 Ca 0.00 -2.45 -0.35 0.00 0.52 0.00 0.00 54.79 52.51 2k5x n ASP 9 Cb 0.00 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.08 2k5x n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k5x s TYR 10 N -1.60 3.50 0.49 -0.67 1.51 0.15 -4.89 117.35 115.84 2k5x s TYR 10 Ca 0.16 0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 56.57 2k5x s TYR 10 Cb 0.14 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2k5x s TYR 10 CO 0.01 0.66 0.80 0.95 -1.11 0.00 0.00 175.55 176.87 2k5x s THR 11 N -1.12 4.89 0.42 -0.71 -4.23 -1.26 -0.17 115.64 113.46 2k5x s THR 11 Ca 0.19 0.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2k5x s THR 11 Cb -0.12 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.17 2k5x s THR 11 CO 0.09 -0.85 2.00 1.05 -0.54 0.00 0.00 174.62 176.37 2k5x h GLU 12 N 0.26 0.48 -0.15 3.99 4.11 -1.96 -0.95 114.58 120.36 2k5x h GLU 12 Ca -0.47 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 58.81 2k5x h GLU 12 Cb 1.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2k5x h GLU 12 CO 0.62 0.32 -0.45 0.00 0.07 0.00 0.00 179.01 179.56 2k5x h ALA 13 N 1.70 0.95 -0.11 1.06 0.00 -1.98 -0.33 119.26 120.55 2k5x h ALA 13 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k5x h ALA 13 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k5x h ALA 13 CO -0.07 0.64 0.02 0.93 0.00 0.00 0.00 179.25 180.77 2k5x h GLU 14 N 0.30 0.17 -0.77 0.00 5.08 -1.57 -2.67 114.58 115.12 2k5x h GLU 14 Ca 0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2k5x h GLU 14 Cb 0.92 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2k5x h GLU 14 CO 0.08 0.36 0.51 0.35 -1.00 0.00 0.00 179.01 179.30 2k5x h PHE 15 N -0.04 0.91 -0.74 4.33 3.57 -1.32 -0.46 116.94 123.19 2k5x h PHE 15 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2k5x h PHE 15 Cb 0.26 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2k5x h PHE 15 CO 0.01 0.53 0.47 1.25 -2.23 0.00 0.00 178.31 178.34 2k5x h LEU 16 N 0.94 0.79 -0.15 0.59 6.46 -1.16 -2.10 115.31 120.68 2k5x h LEU 16 Ca 0.31 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2k5x h LEU 16 Cb 0.05 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2k5x h LEU 16 CO -0.09 0.55 0.03 -0.61 -0.62 0.00 0.00 178.44 177.70 2k5x h GLN 17 N 0.93 0.25 -0.86 1.25 -0.00 -1.05 0.19 115.11 115.83 2k5x h GLN 17 Ca 0.29 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.89 2k5x h GLN 17 Cb -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.39 2k5x h GLN 17 CO -0.10 0.42 0.56 1.25 0.00 0.00 0.00 178.83 180.97 2k5x h LEU 18 N 0.04 0.96 -0.23 -2.39 5.85 -1.01 -2.30 115.31 116.25 2k5x h LEU 18 Ca 0.05 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2k5x h LEU 18 Cb 0.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2k5x h LEU 18 CO 0.00 0.69 -0.29 0.58 -0.34 0.00 0.00 178.44 179.07 2k5x h VAL 19 N 1.13 1.32 -0.49 1.05 2.07 -1.18 -2.29 116.25 117.86 2k5x h VAL 19 Ca 0.32 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.45 2k5x h VAL 19 Cb -0.09 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 2k5x h VAL 19 CO -0.08 0.46 0.00 0.74 0.02 0.00 0.00 177.57 178.71 2k5x h THR 20 N 0.29 0.62 -0.57 2.57 2.02 -0.89 0.33 112.91 117.29 2k5x h THR 20 Ca 0.03 -0.04 0.11 0.00 0.77 0.00 0.00 66.41 67.27 2k5x h THR 20 Cb 0.87 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2k5x h THR 20 CO 0.07 0.02 0.11 0.74 0.37 0.00 0.00 175.52 176.83 2k5x h THR 21 N 0.12 0.65 0.01 3.16 2.02 -1.32 -2.30 112.91 115.25 2k5x h THR 21 Ca 0.25 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 2k5x h THR 21 Cb 0.37 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2k5x h THR 21 CO -0.41 0.04 -0.00 0.40 0.37 0.00 0.00 175.52 175.92 2k5x h ILE 22 N 0.24 1.17 0.00 3.11 2.04 -0.92 0.26 117.51 123.41 2k5x h ILE 22 Ca 0.30 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k5x h ILE 22 Cb 0.43 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2k5x h ILE 22 CO -0.39 0.14 0.00 0.00 0.00 0.00 0.00 178.15 177.90 2k5x n ASN 24 N -1.36 1.96 -3.78 0.00 3.02 -0.91 -5.01 115.26 109.17 2k5x n ASN 24 Ca 0.11 -1.48 -0.34 0.00 -0.03 0.00 0.00 54.58 52.85 2k5x n ASN 24 Cb 0.27 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2k5x n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5x n ALA 25 N 0.60 -2.51 -1.34 5.41 0.00 -0.13 -4.89 120.51 117.65 2k5x n ALA 25 Ca 0.07 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 2k5x n ALA 25 Cb 0.28 -3.59 -0.08 0.00 0.00 0.00 0.00 19.45 16.06 2k5x n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k5x n ASP 26 N -2.61 6.98 -1.51 0.00 2.03 0.89 -4.81 116.55 117.53 2k5x n ASP 26 Ca -0.12 -2.75 -0.03 0.00 0.52 0.00 0.00 54.79 52.41 2k5x n ASP 26 Cb 0.60 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2k5x n ASP 26 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2k5x n THR 27 N 2.40 0.00 -0.05 5.18 -2.24 -1.26 -4.97 114.28 113.33 2k5x n THR 27 Ca 0.58 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2k5x n THR 27 Cb 0.54 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 2k5x n THR 27 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k5x n SER 28 N -1.55 1.77 -4.16 3.42 2.88 -1.26 -5.00 113.62 109.71 2k5x n SER 28 Ca -0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.33 2k5x n SER 28 Cb 0.16 0.99 -0.13 0.00 -0.75 0.00 0.00 64.21 64.48 2k5x n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k5x s SER 29 N -4.41 1.75 0.34 -3.46 0.01 -1.26 -5.02 113.70 101.64 2k5x s SER 29 Ca -0.06 -0.51 0.11 0.00 1.31 0.00 0.00 55.95 56.79 2k5x s SER 29 Cb 0.05 -0.10 1.04 0.00 0.21 0.00 0.00 66.02 67.22 2k5x s SER 29 CO 0.55 0.01 1.59 -0.08 0.41 0.00 0.00 173.24 175.71 2k5x h GLU 30 N 4.72 0.04 0.00 12.44 4.81 -2.00 -1.34 114.58 133.24 2k5x h GLU 30 Ca -0.39 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2k5x h GLU 30 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2k5x h GLU 30 CO 0.43 0.02 0.00 0.39 -0.73 0.00 0.00 179.01 179.12 2k5x n GLU 31 N -5.35 0.02 0.11 1.92 1.02 -1.26 -1.52 120.64 115.58 2k5x n GLU 31 Ca 0.30 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.55 2k5x n GLU 31 Cb 1.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 2k5x n GLU 31 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k5x h GLU 32 N 0.00 -0.34 -0.06 3.49 5.08 -1.67 -3.37 114.58 117.72 2k5x h GLU 32 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k5x h GLU 32 Cb 0.37 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k5x h GLU 32 CO 0.00 -0.23 0.02 1.25 -1.00 0.00 0.00 179.01 179.05 2k5x h LEU 33 N -0.96 0.06 -1.37 1.33 5.85 -1.31 0.43 115.31 119.34 2k5x h LEU 33 Ca -0.04 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2k5x h LEU 33 Cb 0.27 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2k5x h LEU 33 CO 0.06 0.06 -0.07 1.62 -0.34 0.00 0.00 178.44 179.77 2k5x h VAL 34 N 0.08 1.18 0.06 1.05 3.04 -1.49 -1.53 116.25 118.63 2k5x h VAL 34 Ca 0.02 -0.74 -0.27 0.00 -1.01 0.00 0.00 66.70 64.70 2k5x h VAL 34 Cb 0.02 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2k5x h VAL 34 CO -0.00 0.24 -1.40 0.11 -1.01 0.00 0.00 177.57 175.50 2k5x h LYS 35 N 0.31 0.12 -0.82 4.17 1.57 -0.43 -2.68 116.57 118.81 2k5x h LYS 35 Ca 0.07 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2k5x h LYS 35 Cb 0.33 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2k5x h LYS 35 CO 0.02 0.95 0.38 -0.07 -0.57 0.00 0.00 179.45 180.15 2k5x h LEU 36 N 0.03 1.09 -0.47 2.94 -0.00 -0.68 -1.79 115.31 116.43 2k5x h LEU 36 Ca -0.18 -0.15 -0.17 0.00 -0.00 0.00 0.00 57.88 57.38 2k5x h LEU 36 Cb 1.94 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 42.31 2k5x h LEU 36 CO 0.13 0.93 -0.62 1.62 -0.00 0.00 0.00 178.44 180.50 2k5x h VAL 37 N 1.17 1.34 -0.38 1.22 3.04 -1.39 -2.20 116.25 119.06 2k5x h VAL 37 Ca 0.28 -1.92 -0.08 0.00 -1.01 0.00 0.00 66.70 63.97 2k5x h VAL 37 Cb 0.14 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 2k5x h VAL 37 CO -0.03 0.59 -0.09 0.74 -1.01 0.00 0.00 177.57 177.76 2k5x h THR 38 N 0.37 1.24 0.17 3.17 2.02 -1.41 -2.66 112.91 115.82 2k5x h THR 38 Ca -0.01 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2k5x h THR 38 Cb 1.18 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2k5x h THR 38 CO 0.11 0.36 -0.08 -0.74 0.37 0.00 0.00 175.52 175.54 2k5x h HIS 39 N 0.60 -0.22 -0.95 3.16 6.17 -1.26 -2.68 115.15 119.97 2k5x h HIS 39 Ca 0.11 -0.01 0.18 0.00 0.71 0.00 0.00 60.37 61.36 2k5x h HIS 39 Cb 0.52 0.07 -0.17 0.00 2.52 0.00 0.00 27.41 30.35 2k5x h HIS 39 CO 0.02 0.06 -0.27 0.35 0.71 0.00 0.00 177.93 178.80 2k5x h PHE 40 N -0.49 -0.64 -0.14 5.26 3.57 -1.20 -2.67 116.94 120.65 2k5x h PHE 40 Ca -0.02 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2k5x h PHE 40 Cb 0.37 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 2k5x h PHE 40 CO 0.01 -0.41 -0.14 1.49 -2.23 0.00 0.00 178.31 177.03 2k5x h GLU 41 N -0.01 0.34 0.00 1.11 4.81 -1.39 -3.00 114.58 116.45 2k5x h GLU 41 Ca 0.43 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k5x h GLU 41 Cb 0.67 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2k5x h GLU 41 CO -0.97 0.73 0.00 1.49 -0.73 0.00 0.00 179.01 179.53 2k5x h GLU 42 N -0.03 0.00 0.11 1.92 4.22 -1.35 -2.06 114.58 117.39 2k5x h GLU 42 Ca 0.02 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.15 2k5x h GLU 42 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k5x h GLU 42 CO 0.03 0.00 -1.62 0.52 -2.18 0.00 0.00 179.01 175.77 2k5x h MET 43 N 0.00 0.22 -0.01 1.92 2.86 -1.58 -3.40 114.93 114.95 2k5x h MET 43 Ca 0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2k5x h MET 43 Cb 0.61 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2k5x h MET 43 CO 0.00 1.06 -0.57 -2.37 1.06 0.00 0.00 176.91 176.09 2k5x n THR 44 N -3.41 0.00 0.00 2.22 5.66 -0.97 -1.50 114.28 116.27 2k5x n THR 44 Ca -0.19 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2k5x n THR 44 Cb 1.04 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.60 2k5x n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k5x n GLU 45 N -0.88 0.00 -1.60 1.09 1.02 -0.81 -4.96 120.64 114.50 2k5x n GLU 45 Ca 0.08 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.60 2k5x n GLU 45 Cb 0.37 -0.03 -0.09 0.00 -0.02 0.00 0.00 31.44 31.67 2k5x n GLU 45 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k5x n HIS 46 N -0.07 1.69 -0.27 -0.32 -0.00 -1.26 -4.93 115.22 110.06 2k5x n HIS 46 Ca 0.00 0.81 -0.02 0.00 0.46 0.00 0.00 57.72 58.97 2k5x n HIS 46 Cb 0.00 -2.34 0.09 0.00 -0.12 0.00 0.00 29.99 27.63 2k5x n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2k5x h PRO 47 N 7.23 0.88 -0.16 1.57 0.13 -1.93 -2.48 132.00 137.24 2k5x h PRO 47 Ca -0.35 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.58 2k5x h PRO 47 Cb 1.36 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k5x h PRO 47 CO 1.00 0.59 -0.51 0.66 -0.23 0.00 0.00 178.00 179.51 2k5x h SER 48 N 0.91 0.46 0.00 1.44 4.64 -2.00 -3.47 113.55 115.53 2k5x h SER 48 Ca 0.31 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2k5x h SER 48 Cb 0.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2k5x h SER 48 CO -0.12 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2k5x n GLY 49 N 0.12 0.56 0.19 -0.77 0.00 -0.94 -1.80 105.19 102.56 2k5x n GLY 49 Ca -0.02 0.80 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 2k5x n GLY 49 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k5x h SER 50 N 0.00 -0.24 0.44 1.61 4.64 -1.90 -2.57 113.55 115.54 2k5x h SER 50 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2k5x h SER 50 Cb 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2k5x h SER 50 CO 0.00 -0.08 0.00 -0.67 -0.87 0.00 0.00 176.83 175.21 2k5x n ASP 51 N -5.24 0.56 -0.08 4.97 2.03 -0.74 -1.34 116.55 116.70 2k5x n ASP 51 Ca 0.05 0.68 -0.14 0.00 0.52 0.00 0.00 54.79 55.90 2k5x n ASP 51 Cb 0.26 -0.78 -0.05 0.00 -0.72 0.00 0.00 41.12 39.83 2k5x n ASP 51 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2k5x h LEU 52 N 0.00 0.77 0.03 -2.67 5.85 -1.64 0.43 115.31 118.08 2k5x h LEU 52 Ca 0.00 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 2k5x h LEU 52 Cb 0.22 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k5x h LEU 52 CO 0.00 1.13 -0.01 0.40 -0.34 0.00 0.00 178.44 179.62 2k5x h ILE 53 N 0.43 1.37 0.00 4.05 2.04 -1.33 -3.38 117.51 120.69 2k5x h ILE 53 Ca 0.03 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 2k5x h ILE 53 Cb 0.97 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 2k5x h ILE 53 CO 0.09 0.33 -0.83 1.88 0.00 0.00 0.00 178.15 179.62 2k5x h TYR 54 N -0.61 0.00 -2.65 1.37 0.05 -1.30 -3.42 116.97 110.40 2k5x h TYR 54 Ca -0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 2k5x h TYR 54 Cb 0.57 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.92 2k5x h TYR 54 CO 0.12 0.32 -0.83 0.71 -1.05 0.00 0.00 178.16 177.43 2k5x s TYR 55 N -3.09 0.76 0.28 4.88 2.02 0.14 -5.05 117.35 117.29 2k5x s TYR 55 Ca 0.01 -1.57 -0.30 0.00 -0.37 0.00 0.00 57.07 54.85 2k5x s TYR 55 Cb 0.08 -0.99 -0.13 0.00 -0.40 0.00 0.00 41.96 40.52 2k5x s TYR 55 CO 0.77 -0.83 1.31 -0.35 -1.57 0.00 0.00 175.55 174.88 2k5x n PRO 56 N 4.21 1.97 -3.20 -1.71 -0.04 -1.26 -4.63 135.00 130.34 2k5x n PRO 56 Ca 0.09 0.70 -0.39 0.00 -0.04 0.00 0.00 63.50 63.86 2k5x n PRO 56 Cb 0.38 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 2k5x n PRO 56 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k5x s LYS 57 N -1.11 4.30 -0.22 0.54 1.02 -1.26 -5.01 119.74 118.01 2k5x s LYS 57 Ca 0.62 0.82 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 2k5x s LYS 57 Cb -0.63 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 2k5x s LYS 57 CO 0.56 0.55 1.26 -2.00 -0.92 0.00 0.00 175.35 174.80 2k5x s GLU 58 N -0.85 4.13 0.00 1.68 2.56 -1.26 -1.62 118.70 123.34 2k5x s GLU 58 Ca 0.31 1.50 0.00 0.00 0.00 0.00 0.00 54.97 56.78 2k5x s GLU 58 Cb -0.20 -3.79 0.00 0.00 2.00 0.00 0.00 34.13 32.14 2k5x s GLU 58 CO 0.20 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 2k5x n GLY 59 N 3.83 1.05 3.86 -1.50 0.00 -1.26 -5.11 105.19 106.06 2k5x n GLY 59 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2k5x n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5x s ASP 60 N -1.26 6.69 -0.48 1.61 1.01 -0.64 -5.08 116.67 118.52 2k5x s ASP 60 Ca 0.00 0.97 -0.23 0.00 0.71 0.00 0.00 52.55 54.00 2k5x s ASP 60 Cb 0.00 -2.25 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2k5x s ASP 60 CO 0.00 -0.00 0.80 -0.62 0.21 0.00 0.00 175.17 175.55 2k5x s ASP 61 N -2.11 6.36 -0.51 0.27 2.15 -1.26 -4.86 116.67 116.71 2k5x s ASP 61 Ca 0.43 -0.28 -0.05 0.00 0.43 0.00 0.00 52.55 53.08 2k5x s ASP 61 Cb -0.13 -2.38 -0.11 0.00 -0.30 0.00 0.00 42.92 40.01 2k5x s ASP 61 CO 0.20 -0.98 2.27 -0.90 -0.17 0.00 0.00 175.17 175.59 2k5x n ASP 62 N 6.81 4.24 -4.33 -0.34 5.75 -1.26 -4.17 116.55 123.25 2k5x n ASP 62 Ca 0.01 -2.22 -0.25 0.00 -0.01 0.00 0.00 54.79 52.32 2k5x n ASP 62 Cb 0.48 -1.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.44 2k5x n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2k5x s SER 63 N 2.87 2.84 0.19 -1.12 1.04 -1.26 -4.98 113.70 113.27 2k5x s SER 63 Ca 0.41 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2k5x s SER 63 Cb 0.15 -0.17 0.25 0.00 0.10 0.00 0.00 66.02 66.35 2k5x s SER 63 CO -0.02 0.08 1.18 -0.81 0.98 0.00 0.00 173.24 174.65 2k5x n PRO 64 N 0.86 -0.13 -0.13 4.02 -0.04 -1.26 -0.76 135.00 137.56 2k5x n PRO 64 Ca -0.18 1.17 -0.05 0.00 -0.04 0.00 0.00 63.50 64.41 2k5x n PRO 64 Cb 0.54 -1.74 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 2k5x n PRO 64 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k5x h SER 65 N 0.00 0.05 -0.31 3.54 0.02 -1.94 -1.22 113.55 113.69 2k5x h SER 65 Ca 0.31 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 2k5x h SER 65 Cb 0.49 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2k5x h SER 65 CO -0.76 0.06 -0.09 1.23 -1.14 0.00 0.00 176.83 176.13 2k5x h GLY 66 N 0.24 0.67 0.68 -3.77 0.00 -1.36 -0.97 103.07 98.56 2k5x h GLY 66 Ca 0.20 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.03 2k5x h GLY 66 CO -0.24 0.51 0.44 -2.22 0.00 0.00 0.00 176.54 175.03 2k5x h ILE 67 N 0.39 0.99 -0.10 2.60 2.04 -0.66 -0.58 117.51 122.18 2k5x h ILE 67 Ca 0.08 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2k5x h ILE 67 Cb 0.59 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2k5x h ILE 67 CO 0.03 0.14 -0.42 0.58 0.00 0.00 0.00 178.15 178.48 2k5x h VAL 68 N 0.79 1.32 -0.03 1.67 2.07 -0.98 -1.73 116.25 119.36 2k5x h VAL 68 Ca 0.33 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2k5x h VAL 68 Cb 0.20 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k5x h VAL 68 CO -0.18 0.46 0.00 -3.20 0.02 0.00 0.00 177.57 174.67 2k5x n ASN 69 N -4.02 0.94 -0.08 0.57 5.15 -0.39 -1.18 115.26 116.27 2k5x n ASN 69 Ca -0.02 -1.36 -0.11 0.00 -0.60 0.00 0.00 54.58 52.50 2k5x n ASN 69 Cb 0.49 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.67 2k5x n ASN 69 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2k5x h THR 70 N 1.44 0.50 -0.91 -0.44 2.02 -0.48 -3.33 112.91 111.71 2k5x h THR 70 Ca 0.00 -1.54 0.23 0.00 0.77 0.00 0.00 66.41 65.87 2k5x h THR 70 Cb 0.31 1.11 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 2k5x h THR 70 CO 0.00 0.17 0.42 0.58 0.37 0.00 0.00 175.52 177.06 2k5x h VAL 71 N -1.00 0.46 -0.47 3.16 2.07 -1.09 -1.13 116.25 118.25 2k5x h VAL 71 Ca -0.12 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.35 2k5x h VAL 71 Cb 0.76 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 2k5x h VAL 71 CO -0.07 0.07 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 2k5x h LYS 72 N 0.41 0.10 -0.17 1.57 3.64 -1.32 -2.00 116.57 118.79 2k5x h LYS 72 Ca 0.58 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.85 2k5x h LYS 72 Cb 1.11 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2k5x h LYS 72 CO -0.53 0.07 -0.28 1.96 -2.27 0.00 0.00 179.45 178.39 2k5x h GLN 73 N 0.10 0.50 -0.14 1.90 4.20 -1.50 -2.99 115.11 117.18 2k5x h GLN 73 Ca 0.23 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2k5x h GLN 73 Cb 0.35 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 2k5x h GLN 73 CO -0.40 0.90 -0.48 2.35 -0.67 0.00 0.00 178.83 180.53 2k5x h TRP 74 N 0.14 -1.45 -0.45 2.96 7.01 -1.11 -1.43 115.95 121.63 2k5x h TRP 74 Ca 0.01 0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.16 2k5x h TRP 74 Cb 0.86 0.65 -0.09 0.00 -2.10 0.00 0.00 29.16 28.47 2k5x h TRP 74 CO 0.09 -0.48 -0.21 0.00 -2.79 0.00 0.00 178.44 175.05 2k5x h ARG 75 N -0.50 -0.12 0.00 2.65 2.47 -1.41 -2.56 114.38 114.91 2k5x h ARG 75 Ca 0.03 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2k5x h ARG 75 Cb 0.60 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2k5x h ARG 75 CO -0.40 -0.08 0.00 0.00 0.56 0.00 0.00 179.97 180.05 2k5x h ALA 76 N 1.17 1.00 0.18 0.04 0.00 -1.44 0.55 119.26 120.77 2k5x h ALA 76 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 2k5x h ALA 76 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k5x h ALA 76 CO -0.52 0.00 -1.06 0.00 0.00 0.00 0.00 179.25 177.67 2k5x h ALA 77 N 2.23 -0.12 0.00 0.00 0.00 -0.95 -3.35 119.26 117.07 2k5x h ALA 77 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2k5x h ALA 77 Cb 0.66 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k5x h ALA 77 CO 0.00 0.49 -0.35 -0.91 0.00 0.00 0.00 179.25 178.48 2k5x h ASN 78 N -0.19 0.00 -0.14 0.00 2.35 -1.51 -3.48 115.58 112.61 2k5x h ASN 78 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2k5x h ASN 78 Cb 1.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2k5x h ASN 78 CO 0.20 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.66 2k5x n GLY 79 N 1.14 1.25 3.96 2.83 0.00 -0.73 -5.09 105.19 108.55 2k5x n GLY 79 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2k5x n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5x n LYS 80 N -0.49 -0.58 0.30 1.61 4.76 0.11 -4.98 118.16 118.88 2k5x n LYS 80 Ca 0.00 -2.53 0.19 0.00 -2.87 0.00 0.00 58.31 53.10 2k5x n LYS 80 Cb 0.12 -0.95 0.88 0.00 -1.84 0.00 0.00 35.03 33.24 2k5x n LYS 80 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2k5x h SER 81 N -1.05 0.00 -1.98 4.39 4.64 -1.99 -3.45 113.55 114.12 2k5x h SER 81 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2k5x h SER 81 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2k5x h SER 81 CO 0.34 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2k5x n GLY 82 N -0.40 -1.79 0.00 -0.77 0.00 -1.26 -4.96 105.19 96.01 2k5x n GLY 82 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2k5x n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k5x n PHE 83 N 0.00 0.00 -1.86 1.61 3.72 -1.26 -3.98 117.46 115.69 2k5x n PHE 83 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2k5x n PHE 83 Cb 0.00 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.68 2k5x n PHE 83 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2k5x s LYS 84 N 0.76 1.26 -0.39 -1.08 2.20 0.76 -4.49 119.74 118.76 2k5x s LYS 84 Ca 0.00 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.24 2k5x s LYS 84 Cb 0.00 -1.89 -0.08 0.00 -1.51 0.00 0.00 37.83 34.36 2k5x s LYS 84 CO 0.00 -2.04 2.32 0.94 -0.36 0.00 0.00 175.35 176.21 2k5x n GLN 85 N -3.58 1.37 0.00 4.03 7.27 -1.26 -4.80 117.38 120.40 2k5x n GLN 85 Ca 0.11 0.25 0.05 0.00 0.07 0.00 0.00 57.00 57.49 2k5x n GLN 85 Cb 0.60 -3.13 0.32 0.00 2.41 0.00 0.00 30.24 30.44 2k5x n GLN 85 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54