#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n LYS 3 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.12 118.16 114.78 3knm n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3knm n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3knm n LYS 3 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3knm n HIS 4 N 0.00 0.00 -1.90 5.64 8.25 -1.26 -4.50 115.22 121.45 3knm n HIS 4 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3knm n HIS 4 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3knm n HIS 4 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3knm s PRO 5 N 0.00 4.19 0.25 -0.41 0.02 -1.26 -4.94 135.00 132.84 3knm s PRO 5 Ca 0.00 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.42 3knm s PRO 5 Cb 0.00 -3.71 -0.05 0.00 0.02 0.00 0.00 34.50 30.76 3knm s PRO 5 CO 0.00 -0.78 -0.03 0.14 -0.33 0.00 0.00 177.00 176.00 3knm s VAL 6 N 3.01 1.29 0.32 3.83 -7.23 -1.26 -4.67 120.40 115.69 3knm s VAL 6 Ca 0.76 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 58.58 3knm s VAL 6 Cb -0.40 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 3knm s VAL 6 CO 0.33 -0.34 1.02 -2.16 -0.31 0.00 0.00 175.10 173.64 3knm s PRO 7 N -3.80 4.53 0.27 4.82 0.04 -1.26 -4.97 135.00 134.63 3knm s PRO 7 Ca 0.28 1.54 0.09 0.00 0.04 0.00 0.00 61.00 62.96 3knm s PRO 7 Cb 0.05 -2.92 0.36 0.00 0.04 0.00 0.00 34.50 32.03 3knm s PRO 7 CO 0.10 0.19 1.62 -0.22 0.04 0.00 0.00 177.00 178.72 3knm h LYS 8 N 3.34 0.04 -3.20 4.56 1.63 -2.02 -3.47 116.57 117.45 3knm h LYS 8 Ca -0.47 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.26 3knm h LYS 8 Cb 1.21 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.71 3knm h LYS 8 CO 0.65 0.63 0.01 0.15 -3.45 0.00 0.00 179.45 177.44 3knm s LYS 9 N -3.68 1.11 0.04 1.90 1.02 -1.26 -5.14 119.74 113.73 3knm s LYS 9 Ca -0.02 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.09 3knm s LYS 9 Cb 0.13 0.50 -0.06 0.00 -0.52 0.00 0.00 37.83 37.87 3knm s LYS 9 CO 0.77 -0.44 1.39 0.21 -0.92 0.00 0.00 175.35 176.36 3knm s LYS 10 N -3.56 4.30 0.34 1.68 2.20 -1.26 -4.97 119.74 118.47 3knm s LYS 10 Ca 0.01 1.99 -0.29 0.00 -0.36 0.00 0.00 55.97 57.33 3knm s LYS 10 Cb 0.01 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 3knm s LYS 10 CO -0.11 -0.52 1.37 0.95 -0.36 0.00 0.00 175.35 176.69 3knm s THR 11 N 1.92 2.51 1.04 3.43 -4.23 -1.26 -4.99 115.64 114.07 3knm s THR 11 Ca 0.64 0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 61.51 3knm s THR 11 Cb -0.33 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.40 3knm s THR 11 CO 0.28 0.12 1.12 -0.94 -0.54 0.00 0.00 174.62 174.66 3knm s SER 12 N -0.31 2.29 0.20 3.99 1.04 -1.26 -4.79 113.70 114.86 3knm s SER 12 Ca 0.51 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.91 3knm s SER 12 Cb -0.42 -1.36 0.10 0.00 0.10 0.00 0.00 66.02 64.43 3knm s SER 12 CO 0.55 -3.30 1.46 0.11 0.98 0.00 0.00 173.24 173.04 3knm h LYS 13 N -2.01 0.03 0.00 4.02 1.57 -1.98 0.02 116.57 118.22 3knm h LYS 13 Ca -0.50 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.11 3knm h LYS 13 Cb 1.32 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 3knm h LYS 13 CO 0.50 0.81 -0.62 0.00 -0.57 0.00 0.00 179.45 179.57 3knm h ALA 14 N 1.18 0.66 0.03 3.86 0.00 -1.97 0.32 119.26 123.35 3knm h ALA 14 Ca -0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 3knm h ALA 14 Cb 1.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3knm h ALA 14 CO 0.11 0.77 -1.53 -0.09 0.00 0.00 0.00 179.25 178.52 3knm h ARG 15 N 0.00 0.06 0.00 0.00 2.43 -1.88 -3.22 114.38 111.78 3knm h ARG 15 Ca -0.01 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3knm h ARG 15 Cb 1.38 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3knm h ARG 15 CO 0.08 0.77 -0.09 -0.09 -1.51 0.00 0.00 179.97 179.13 3knm h ARG 16 N 0.02 0.00 0.00 0.20 2.43 -1.01 -2.69 114.38 113.33 3knm h ARG 16 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3knm h ARG 16 Cb 1.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 3knm h ARG 16 CO 0.11 0.88 0.06 -0.25 -1.51 0.00 0.00 179.97 179.26 3knm n ASP 17 N -4.62 0.44 -0.04 -3.80 8.00 0.10 -1.47 116.55 115.16 3knm n ASP 17 Ca -0.10 0.68 -0.06 0.00 0.71 0.00 0.00 54.79 56.01 3knm n ASP 17 Cb 0.44 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 3knm n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knm n ALA 18 N -1.69 1.66 -0.02 2.24 0.00 -1.21 -3.90 120.51 117.59 3knm n ALA 18 Ca -0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 53.44 52.44 3knm n ALA 18 Cb 0.09 -0.63 0.10 0.00 0.00 0.00 0.00 19.45 19.02 3knm n ALA 18 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knm h ARG 19 N 0.00 0.59 -2.06 0.00 2.43 -0.90 -3.03 114.38 111.41 3knm h ARG 19 Ca -0.34 -0.29 -0.14 0.00 -0.81 0.00 0.00 59.98 58.40 3knm h ARG 19 Cb 1.96 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.45 3knm h ARG 19 CO 0.05 0.88 -0.27 0.54 -1.51 0.00 0.00 179.97 179.66 3knm n ARG 20 N -4.04 1.69 -0.08 0.20 1.74 -1.02 -3.91 116.66 111.23 3knm n ARG 20 Ca -0.01 -0.76 -0.15 0.00 -0.77 0.00 0.00 57.85 56.15 3knm n ARG 20 Cb 0.50 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 3knm n ARG 20 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3knm n SER 21 N 2.35 1.29 -0.46 0.55 3.41 -1.15 -4.27 113.62 115.34 3knm n SER 21 Ca 0.33 0.04 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3knm n SER 21 Cb 0.79 -0.04 0.34 0.00 -0.26 0.00 0.00 64.21 65.04 3knm n SER 21 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3knm n HIS 22 N -3.13 0.22 0.04 7.33 8.25 -1.25 -4.32 115.22 122.37 3knm n HIS 22 Ca -0.36 -0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 56.87 3knm n HIS 22 Cb 1.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.15 3knm n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3knm h HIS 23 N 1.74 0.69 -1.13 4.41 -0.00 -1.85 -3.46 115.15 115.54 3knm h HIS 23 Ca 0.00 -0.33 -0.75 0.00 -0.00 0.00 0.00 60.37 59.28 3knm h HIS 23 Cb 0.38 -0.10 0.06 0.00 -0.00 0.00 0.00 27.41 27.76 3knm h HIS 23 CO 0.11 1.13 0.03 0.00 -0.00 0.00 0.00 177.93 179.20 3knm n ALA 24 N -2.55 -3.07 -1.92 2.45 0.00 -1.26 -4.93 120.51 109.23 3knm n ALA 24 Ca -0.06 0.56 -0.27 0.00 0.00 0.00 0.00 53.44 53.66 3knm n ALA 24 Cb 0.77 -1.79 0.08 0.00 0.00 0.00 0.00 19.45 18.51 3knm n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knm s LEU 25 N 0.52 2.67 -0.21 0.00 1.02 -1.26 -5.06 118.68 116.35 3knm s LEU 25 Ca 0.85 0.64 -0.03 0.00 0.02 0.00 0.00 54.13 55.61 3knm s LEU 25 Cb -1.16 -3.21 -0.00 0.00 0.02 0.00 0.00 46.19 41.84 3knm s LEU 25 CO 0.55 -1.74 -0.08 0.42 0.02 0.00 0.00 176.35 175.52 3knm s THR 26 N -3.41 3.04 0.63 5.49 -4.23 -1.26 -5.08 115.64 110.81 3knm s THR 26 Ca 0.61 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 60.34 3knm s THR 26 Cb -0.11 -2.36 -0.12 0.00 1.34 0.00 0.00 72.50 71.25 3knm s THR 26 CO 0.47 0.45 -0.03 -0.81 -0.54 0.00 0.00 174.62 174.16 3knm n PRO 27 N 4.74 0.12 -1.75 3.99 -0.04 -1.26 -4.84 135.00 135.96 3knm n PRO 27 Ca -0.19 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 62.93 3knm n PRO 27 Cb 0.51 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 3knm n PRO 27 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3knm n PRO 28 N 1.06 2.01 -3.00 0.54 -0.04 -1.26 -4.94 135.00 129.38 3knm n PRO 28 Ca 0.07 0.72 -0.41 0.00 -0.04 0.00 0.00 63.50 63.85 3knm n PRO 28 Cb 0.49 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 3knm n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3knm s THR 29 N -1.23 4.93 0.03 0.52 -4.23 -1.26 -5.02 115.64 109.37 3knm s THR 29 Ca 0.65 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 62.57 3knm s THR 29 Cb -0.44 -4.04 -0.02 0.00 1.34 0.00 0.00 72.50 69.34 3knm s THR 29 CO 0.54 0.02 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.82 3knm s LEU 30 N 2.33 2.20 0.06 4.79 1.43 -1.26 -4.38 118.68 123.85 3knm s LEU 30 Ca 0.32 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3knm s LEU 30 Cb -0.16 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 3knm s LEU 30 CO 0.10 -0.15 -0.04 0.68 0.23 0.00 0.00 176.35 177.17 3knm s VAL 31 N -1.08 0.33 0.86 -1.59 -7.23 -0.23 -4.90 120.40 106.55 3knm s VAL 31 Ca -0.08 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3knm s VAL 31 Cb -0.08 -1.53 0.11 0.00 0.56 0.00 0.00 36.38 35.44 3knm s VAL 31 CO 0.00 -0.96 1.09 -2.84 -0.31 0.00 0.00 175.10 172.09 3knm s PRO 32 N -3.84 1.56 -0.20 4.82 0.02 -1.26 0.33 135.00 136.44 3knm s PRO 32 Ca 0.08 1.03 -0.07 0.00 0.02 0.00 0.00 61.00 62.06 3knm s PRO 32 Cb 0.07 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 3knm s PRO 32 CO -0.09 -2.09 0.07 0.00 -0.33 0.00 0.00 177.00 174.56 3knm h PRO 34 N 7.11 0.05 -2.84 0.00 0.11 -1.92 -2.90 132.00 131.60 3knm h PRO 34 Ca -0.37 -0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.03 3knm h PRO 34 Cb 1.17 -0.01 -0.35 0.00 0.11 0.00 0.00 31.00 31.92 3knm h PRO 34 CO 0.66 0.04 0.08 0.39 -0.21 0.00 0.00 178.00 178.96 3knm n GLU 35 N -4.45 3.28 0.00 1.05 -0.58 -1.26 -4.97 120.64 113.71 3knm n GLU 35 Ca 0.38 -4.57 0.00 0.00 -0.42 0.00 0.00 57.16 52.55 3knm n GLU 35 Cb 1.57 -2.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 3knm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knm n LYS 37 N -1.14 0.00 -1.96 0.00 2.85 -1.26 -3.77 118.16 112.88 3knm n LYS 37 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knm n LYS 37 Cb 0.00 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 3knm n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knm n ALA 38 N -1.82 -1.00 -2.62 0.58 0.00 -1.26 -1.56 120.51 112.83 3knm n ALA 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3knm n ALA 38 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3knm n ALA 38 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3knm s MET 39 N 0.00 4.22 0.04 0.00 -1.94 -1.26 -1.84 119.30 118.52 3knm s MET 39 Ca 0.00 1.35 -0.02 0.00 -1.71 0.00 0.00 55.69 55.31 3knm s MET 39 Cb 0.00 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 3knm s MET 39 CO 0.00 -0.70 -0.01 -1.59 -0.01 0.00 0.00 175.02 172.72 3knm s LYS 40 N 3.34 0.52 0.12 2.03 0.00 0.15 -4.89 119.74 121.02 3knm s LYS 40 Ca 0.46 -0.96 -0.31 0.00 0.00 0.00 0.00 55.97 55.16 3knm s LYS 40 Cb -0.15 0.19 -0.10 0.00 0.00 0.00 0.00 37.83 37.76 3knm s LYS 40 CO 0.09 -0.10 1.83 -1.25 0.00 0.00 0.00 175.35 175.92 3knm s PRO 41 N -2.99 4.14 0.98 1.78 0.04 -1.26 -1.07 135.00 136.62 3knm s PRO 41 Ca -0.02 2.59 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 3knm s PRO 41 Cb 0.01 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 31.00 3knm s PRO 41 CO -0.07 -0.84 0.29 -0.35 0.04 0.00 0.00 177.00 176.07 3knm n PRO 42 N 5.67 -0.51 -1.15 0.56 -0.04 -1.26 -2.83 135.00 135.43 3knm n PRO 42 Ca 0.18 -0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 3knm n PRO 42 Cb 0.38 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3knm n PRO 42 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3knm n HIS 43 N -3.71 0.00 -4.57 0.54 8.25 -1.26 -4.94 115.22 109.53 3knm n HIS 43 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 3knm n HIS 43 Cb 0.55 -2.32 -0.11 0.00 1.12 0.00 0.00 29.99 29.23 3knm n HIS 43 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3knm s THR 44 N -1.47 1.88 -0.30 1.59 -4.23 -1.13 -5.11 115.64 106.87 3knm s THR 44 Ca 0.00 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 3knm s THR 44 Cb 0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 3knm s THR 44 CO 0.00 -0.05 0.55 -0.69 -0.54 0.00 0.00 174.62 173.89 3knm s VAL 45 N -2.81 5.01 -0.50 2.29 1.01 -1.26 -4.96 120.40 119.18 3knm s VAL 45 Ca 0.35 0.72 -0.34 0.00 0.00 0.00 0.00 61.98 62.71 3knm s VAL 45 Cb 0.08 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 3knm s VAL 45 CO 0.17 -0.07 1.86 0.00 0.00 0.00 0.00 175.10 177.06 3knm n PRO 47 N 6.37 0.00 -0.05 0.00 -0.04 -1.26 -1.41 135.00 138.61 3knm n PRO 47 Ca 0.47 0.36 -0.08 0.00 -0.04 0.00 0.00 63.50 64.21 3knm n PRO 47 Cb -0.02 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 3knm n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3knm n GLU 48 N -1.36 0.25 -0.06 0.54 4.71 -1.26 -4.90 120.64 118.57 3knm n GLU 48 Ca 0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 57.16 57.18 3knm n GLU 48 Cb 0.09 -1.13 -0.01 0.00 -1.01 0.00 0.00 31.44 29.38 3knm n GLU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3knm n GLY 50 N 1.61 2.50 1.09 0.00 0.00 -0.50 -4.48 105.19 105.42 3knm n GLY 50 Ca -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3knm n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knm n TYR 51 N 1.51 -0.51 -2.51 1.61 4.02 -1.26 -4.65 117.16 115.36 3knm n TYR 51 Ca 0.00 0.27 -0.40 0.00 -0.01 0.00 0.00 57.90 57.76 3knm n TYR 51 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 39.34 38.74 3knm n TYR 51 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3knm s TYR 52 N -0.79 2.48 -0.21 -0.72 -0.85 -1.26 -4.00 117.35 112.00 3knm s TYR 52 Ca 0.00 -0.75 -0.03 0.00 -0.52 0.00 0.00 57.07 55.78 3knm s TYR 52 Cb 0.00 -4.64 0.01 0.00 0.38 0.00 0.00 41.96 37.71 3knm s TYR 52 CO 0.00 -1.91 0.05 0.00 -1.52 0.00 0.00 175.55 172.17 3knm n ALA 53 N 9.34 -3.09 -3.62 9.51 0.00 -1.26 -5.05 120.51 126.33 3knm n ALA 53 Ca 0.34 0.77 -0.11 0.00 0.00 0.00 0.00 53.44 54.44 3knm n ALA 53 Cb 0.50 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 3knm n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knm s GLY 54 N -1.21 -0.32 0.76 0.00 0.00 -1.26 -5.13 107.32 100.16 3knm s GLY 54 Ca -0.06 2.33 -0.17 0.00 0.00 0.00 0.00 44.72 46.81 3knm s GLY 54 CO 0.59 1.69 -0.41 -2.13 0.00 0.00 0.00 173.10 172.84 3knm n ARG 55 N 2.17 0.01 -0.64 2.90 3.00 -1.26 -4.26 116.66 118.58 3knm n ARG 55 Ca -0.13 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 3knm n ARG 55 Cb 0.56 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.96 3knm n ARG 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3knm n LYS 56 N 1.82 0.00 0.10 -0.14 0.00 -1.26 -4.40 118.16 114.28 3knm n LYS 56 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.25 3knm n LYS 56 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.49 3knm n LYS 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3knm h VAL 57 N 0.39 0.00 -1.21 0.58 2.07 -1.88 -3.48 116.25 112.72 3knm h VAL 57 Ca 0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 3knm h VAL 57 Cb 0.00 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.59 3knm h VAL 57 CO 0.00 0.00 0.92 -0.76 0.02 0.00 0.00 177.57 177.75 3knm s LEU 58 N -7.59 -0.05 0.00 2.57 1.43 -1.26 -5.17 118.68 108.60 3knm s LEU 58 Ca -0.09 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3knm s LEU 58 Cb 0.03 1.17 -0.00 0.00 0.03 0.00 0.00 46.19 47.42 3knm s LEU 58 CO 0.32 -0.11 0.11 -0.62 0.23 0.00 0.00 176.35 176.28 3knm n GLU 59 N -0.19 0.16 0.00 1.70 -0.58 -1.26 -4.99 120.64 115.48 3knm n GLU 59 Ca -0.01 -0.78 0.12 0.00 -0.42 0.00 0.00 57.16 56.07 3knm n GLU 59 Cb 0.59 0.71 0.10 0.00 -0.57 0.00 0.00 31.44 32.27 3knm n GLU 59 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20