#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr3 n GLU 6 N 0.00 0.72 -4.35 -1.46 0.28 -1.26 -5.05 120.64 109.52 3kr3 n GLU 6 Ca 0.00 -0.85 -0.21 0.00 -0.16 0.00 0.00 57.16 55.94 3kr3 n GLU 6 Cb 0.00 -0.92 -0.11 0.00 1.43 0.00 0.00 31.44 31.84 3kr3 n GLU 6 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3kr3 s THR 7 N -0.39 1.88 -0.03 3.84 -4.23 -1.26 0.47 115.64 115.92 3kr3 s THR 7 Ca 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3kr3 s THR 7 Cb 0.00 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.90 3kr3 s THR 7 CO 0.00 -0.42 0.00 -0.76 -0.54 0.00 0.00 174.62 172.91 3kr3 s LEU 8 N -2.99 1.19 0.06 4.79 1.43 -0.23 -4.95 118.68 117.99 3kr3 s LEU 8 Ca 0.20 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3kr3 s LEU 8 Cb -0.04 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 3kr3 s LEU 8 CO 0.08 -0.10 -0.05 0.00 0.23 0.00 0.00 176.35 176.51 3kr3 n GLY 10 N 0.58 0.94 0.23 0.00 0.00 -1.26 -2.98 105.19 102.69 3kr3 n GLY 10 Ca -0.17 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.17 3kr3 n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kr3 h GLY 11 N 0.00 0.00 1.22 -0.02 0.00 -2.00 -2.41 103.07 99.87 3kr3 h GLY 11 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3kr3 h GLY 11 CO 0.00 0.00 0.11 -2.09 0.00 0.00 0.00 176.54 174.56 3kr3 h GLU 12 N 0.00 0.97 0.61 4.80 4.81 -1.98 0.28 114.58 124.07 3kr3 h GLU 12 Ca -0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3kr3 h GLU 12 Cb 0.33 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3kr3 h GLU 12 CO 0.02 0.89 -0.44 1.25 -0.73 0.00 0.00 179.01 180.00 3kr3 h LEU 13 N 0.91 -1.15 -0.47 1.64 5.85 -1.42 -1.27 115.31 119.41 3kr3 h LEU 13 Ca 0.19 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3kr3 h LEU 13 Cb 0.38 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3kr3 h LEU 13 CO 0.01 -0.65 0.03 0.58 -0.34 0.00 0.00 178.44 178.07 3kr3 h VAL 14 N -1.02 0.67 -0.75 1.05 2.07 -1.31 -0.48 116.25 116.48 3kr3 h VAL 14 Ca -0.07 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kr3 h VAL 14 Cb 0.84 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3kr3 h VAL 14 CO 0.03 0.03 0.35 0.44 0.02 0.00 0.00 177.57 178.44 3kr3 h ASP 15 N 0.15 0.98 -0.18 0.57 5.19 -0.47 -1.82 116.42 120.83 3kr3 h ASP 15 Ca 0.24 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 3kr3 h ASP 15 Cb 0.34 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 3kr3 h ASP 15 CO -0.37 0.83 -0.01 0.74 -3.12 0.00 0.00 179.24 177.32 3kr3 h THR 16 N 1.07 1.26 -0.13 0.35 2.02 -1.00 -2.35 112.91 114.14 3kr3 h THR 16 Ca 0.26 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3kr3 h THR 16 Cb 0.12 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3kr3 h THR 16 CO -0.03 0.27 0.06 -0.07 0.37 0.00 0.00 175.52 176.11 3kr3 h LEU 17 N 0.07 0.09 -0.83 2.58 3.38 -0.97 0.61 115.31 120.25 3kr3 h LEU 17 Ca 0.05 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.17 3kr3 h LEU 17 Cb 0.40 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3kr3 h LEU 17 CO 0.01 0.07 0.40 1.56 0.09 0.00 0.00 178.44 180.58 3kr3 h GLN 18 N 0.13 0.56 -0.22 1.13 4.20 -1.34 0.47 115.11 120.05 3kr3 h GLN 18 Ca 0.05 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 3kr3 h GLN 18 Cb 0.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3kr3 h GLN 18 CO -0.04 0.37 -0.52 0.35 -0.67 0.00 0.00 178.83 178.32 3kr3 h PHE 19 N 0.58 0.95 -0.67 2.96 3.57 -1.06 -3.06 116.94 120.21 3kr3 h PHE 19 Ca 0.45 -0.36 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3kr3 h PHE 19 Cb 0.65 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3kr3 h PHE 19 CO -0.11 1.16 0.22 0.28 -2.23 0.00 0.00 178.31 177.63 3kr3 h VAL 20 N 0.47 1.25 -0.20 1.41 2.07 -0.40 -3.18 116.25 117.67 3kr3 h VAL 20 Ca -0.00 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kr3 h VAL 20 Cb 1.14 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kr3 h VAL 20 CO 0.11 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.04 3kr3 n GLY 22 N 1.15 2.15 0.18 0.00 0.00 -1.15 -1.84 105.19 105.67 3kr3 n GLY 22 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3kr3 n GLY 22 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kr3 h ASP 23 N 0.00 0.00 -0.77 1.61 2.03 -1.94 -3.22 116.42 114.13 3kr3 h ASP 23 Ca 0.00 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 56.33 3kr3 h ASP 23 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 3kr3 h ASP 23 CO 0.00 0.41 0.49 0.03 -1.03 0.00 0.00 179.24 179.14 3kr3 h ARG 24 N 0.00 0.93 0.00 4.15 3.08 -1.79 -3.50 114.38 117.26 3kr3 h ARG 24 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kr3 h ARG 24 Cb 0.92 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3kr3 h ARG 24 CO 0.05 0.62 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 3kr3 n GLY 25 N -1.31 -2.46 3.79 0.04 0.00 -0.77 -4.55 105.19 99.93 3kr3 n GLY 25 Ca 0.09 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 3kr3 n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kr3 s PHE 26 N -0.62 3.46 0.22 1.61 0.40 -1.26 -1.23 117.98 120.56 3kr3 s PHE 26 Ca 0.00 1.69 -0.07 0.00 -0.60 0.00 0.00 56.93 57.96 3kr3 s PHE 26 Cb 0.00 -2.94 0.18 0.00 0.51 0.00 0.00 43.02 40.77 3kr3 s PHE 26 CO 0.00 -0.09 1.73 -0.92 0.70 0.00 0.00 175.22 176.65 3kr3 h TYR 27 N 2.57 1.11 -2.55 0.36 3.20 -0.66 -3.33 116.97 117.68 3kr3 h TYR 27 Ca -0.48 -0.13 -0.72 0.00 3.14 0.00 0.00 58.73 60.54 3kr3 h TYR 27 Cb 1.19 -0.31 -0.19 0.00 1.54 0.00 0.00 36.73 38.96 3kr3 h TYR 27 CO 0.61 0.92 0.89 -0.06 -1.64 0.00 0.00 178.16 178.88 3kr3 s PHE 28 N -5.24 3.37 -1.84 -3.82 0.08 -1.26 -4.79 117.98 104.47 3kr3 s PHE 28 Ca -0.11 -1.76 0.20 0.00 0.12 0.00 0.00 56.93 55.38 3kr3 s PHE 28 Cb 0.15 -4.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 3kr3 s PHE 28 CO 0.84 -1.38 1.00 -1.13 -0.10 0.00 0.00 175.22 174.45 3kr3 n SER 29 N 5.79 1.92 -4.24 1.36 3.41 -1.25 -4.43 113.62 116.17 3kr3 n SER 29 Ca 0.27 -1.46 -0.19 0.00 -0.26 0.00 0.00 58.87 57.23 3kr3 n SER 29 Cb 0.46 0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 64.74 3kr3 n SER 29 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kr3 s ARG 30 N -2.19 1.03 0.30 4.33 1.81 -1.26 -5.01 118.95 117.95 3kr3 s ARG 30 Ca 0.17 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 53.00 3kr3 s ARG 30 Cb 0.16 -1.01 0.72 0.00 -0.45 0.00 0.00 34.95 34.37 3kr3 s ARG 30 CO 0.48 0.21 1.60 -1.35 -0.68 0.00 0.00 175.30 175.56 3kr3 h PRO 31 N 3.73 0.08 -0.55 3.54 0.11 -2.00 -1.57 132.00 135.34 3kr3 h PRO 31 Ca -0.41 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 3kr3 h PRO 31 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kr3 h PRO 31 CO 0.47 0.05 0.11 0.00 -0.21 0.00 0.00 178.00 178.42 3kr3 h ALA 32 N 1.88 1.17 0.00 -0.75 0.00 -1.98 -2.87 119.26 116.72 3kr3 h ALA 32 Ca 0.57 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3kr3 h ALA 32 Cb 1.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kr3 h ALA 32 CO -0.80 0.56 -0.34 0.66 0.00 0.00 0.00 179.25 179.33 3kr3 h SER 33 N 0.82 0.00 1.30 0.00 4.64 -1.67 -3.17 113.55 115.47 3kr3 h SER 33 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3kr3 h SER 33 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3kr3 h SER 33 CO 0.00 0.34 0.00 0.03 -0.87 0.00 0.00 176.83 176.33 3kr3 h ARG 34 N 0.00 0.00 -0.20 4.77 3.08 -1.13 -2.40 114.38 118.50 3kr3 h ARG 34 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kr3 h ARG 34 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3kr3 h ARG 34 CO 0.04 0.00 0.00 1.55 -1.07 0.00 0.00 179.97 180.49 3kr3 n VAL 35 N -3.03 0.26 -1.97 2.04 3.14 -1.10 -4.66 118.33 113.01 3kr3 n VAL 35 Ca 0.02 -0.42 -0.30 0.00 -2.96 0.00 0.00 64.34 60.67 3kr3 n VAL 35 Cb 0.37 0.50 0.01 0.00 -1.06 0.00 0.00 33.84 33.66 3kr3 n VAL 35 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3kr3 s SER 36 N -1.56 6.13 0.22 6.55 1.04 -0.90 -4.88 113.70 120.30 3kr3 s SER 36 Ca 0.33 1.32 -0.08 0.00 0.48 0.00 0.00 55.95 58.00 3kr3 s SER 36 Cb 0.18 -2.37 0.17 0.00 0.10 0.00 0.00 66.02 64.11 3kr3 s SER 36 CO 0.27 -0.90 1.82 0.03 0.98 0.00 0.00 173.24 175.44 3kr3 h ARG 37 N -0.30 1.16 -0.61 4.02 3.08 -1.93 -1.05 114.38 118.75 3kr3 h ARG 37 Ca -0.44 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 3kr3 h ARG 37 Cb 1.20 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 3kr3 h ARG 37 CO 0.62 0.88 0.32 0.00 -1.07 0.00 0.00 179.97 180.72 3kr3 h ARG 38 N 1.15 0.86 0.32 0.04 3.08 -1.92 0.26 114.38 118.18 3kr3 h ARG 38 Ca 0.28 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3kr3 h ARG 38 Cb 0.09 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3kr3 h ARG 38 CO -0.04 0.67 -0.15 1.03 -1.07 0.00 0.00 179.97 180.41 3kr3 h SER 39 N 0.83 -0.36 -0.59 7.04 0.87 -1.74 -2.94 113.55 116.66 3kr3 h SER 39 Ca 0.21 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3kr3 h SER 39 Cb 0.07 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3kr3 h SER 39 CO -0.03 -0.22 0.39 0.03 -0.53 0.00 0.00 176.83 176.48 3kr3 h ARG 40 N -0.48 0.60 -0.17 2.24 2.47 -0.96 -1.90 114.38 116.18 3kr3 h ARG 40 Ca -0.04 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3kr3 h ARG 40 Cb 0.36 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 3kr3 h ARG 40 CO 0.07 0.39 -0.01 0.78 0.56 0.00 0.00 179.97 181.77 3kr3 h GLY 41 N 0.61 0.16 0.90 0.04 0.00 -0.31 0.56 103.07 105.04 3kr3 h GLY 41 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3kr3 h GLY 41 CO -0.07 -0.04 0.04 -2.22 0.00 0.00 0.00 176.54 174.25 3kr3 h ILE 42 N 0.04 1.24 -0.42 2.60 2.04 -1.29 -2.94 117.51 118.79 3kr3 h ILE 42 Ca 0.08 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 3kr3 h ILE 42 Cb 0.11 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3kr3 h ILE 42 CO -0.15 0.29 0.18 0.58 0.00 0.00 0.00 178.15 179.05 3kr3 h VAL 43 N 0.38 1.19 -0.72 1.67 2.07 -1.14 -1.99 116.25 117.70 3kr3 h VAL 43 Ca 0.10 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3kr3 h VAL 43 Cb 0.38 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3kr3 h VAL 43 CO 0.01 0.21 0.23 -0.33 0.02 0.00 0.00 177.57 177.71 3kr3 h GLU 44 N 0.53 1.12 -0.00 1.57 5.08 0.09 -1.21 114.58 121.75 3kr3 h GLU 44 Ca 0.14 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kr3 h GLU 44 Cb 0.16 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kr3 h GLU 44 CO -0.01 0.96 0.00 1.49 -1.00 0.00 0.00 179.01 180.45 3kr3 h GLU 45 N 1.06 0.01 -0.79 2.33 4.57 -1.47 0.67 114.58 120.96 3kr3 h GLU 45 Ca 0.23 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3kr3 h GLU 45 Cb 0.30 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 3kr3 h GLU 45 CO -0.01 0.07 0.46 0.00 -1.18 0.00 0.00 179.01 178.35 3kr3 h PHE 48 N -0.92 0.00 0.00 0.00 0.04 -0.92 -3.41 116.94 111.72 3kr3 h PHE 48 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3kr3 h PHE 48 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 3kr3 h PHE 48 CO 0.25 0.71 -0.00 0.54 -0.60 0.00 0.00 178.31 179.21 3kr3 n ARG 49 N -3.17 0.00 -3.61 1.51 1.74 0.18 -5.05 116.66 108.26 3kr3 n ARG 49 Ca -0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 3kr3 n ARG 49 Cb 0.85 -0.04 -0.06 0.00 -1.02 0.00 0.00 32.46 32.19 3kr3 n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kr3 s SER 50 N -5.05 -0.46 -0.03 0.55 1.04 -0.21 -4.77 113.70 104.78 3kr3 s SER 50 Ca -0.00 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.20 3kr3 s SER 50 Cb 0.00 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3kr3 s SER 50 CO 0.00 -0.24 -0.04 0.00 0.98 0.00 0.00 173.24 173.94 3kr3 s ASP 52 N 0.67 1.28 0.43 0.00 1.47 -1.26 -4.73 116.67 114.52 3kr3 s ASP 52 Ca -0.09 -1.45 0.09 0.00 1.18 0.00 0.00 52.55 52.29 3kr3 s ASP 52 Cb -0.12 0.25 0.92 0.00 -0.34 0.00 0.00 42.92 43.64 3kr3 s ASP 52 CO -0.00 -0.79 2.04 0.25 0.68 0.00 0.00 175.17 177.35 3kr3 h LEU 53 N 2.33 0.32 -0.15 2.11 5.85 -2.00 0.13 115.31 123.89 3kr3 h LEU 53 Ca -0.37 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3kr3 h LEU 53 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3kr3 h LEU 53 CO 0.57 0.28 0.03 0.00 -0.34 0.00 0.00 178.44 178.98 3kr3 h ALA 54 N 1.77 0.19 -0.15 1.25 0.00 -1.98 0.19 119.26 120.52 3kr3 h ALA 54 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kr3 h ALA 54 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kr3 h ALA 54 CO -0.01 -0.15 -0.01 1.25 0.00 0.00 0.00 179.25 180.33 3kr3 h LEU 55 N 0.02 -0.07 -0.51 0.00 5.85 -1.86 -2.39 115.31 116.36 3kr3 h LEU 55 Ca 0.04 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3kr3 h LEU 55 Cb 0.29 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3kr3 h LEU 55 CO 0.00 -0.01 0.13 -0.07 -0.34 0.00 0.00 178.44 178.15 3kr3 h LEU 56 N 0.04 0.07 -1.66 2.25 3.38 -0.76 -2.36 115.31 116.27 3kr3 h LEU 56 Ca 0.07 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3kr3 h LEU 56 Cb 0.09 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kr3 h LEU 56 CO -0.12 0.06 0.28 -0.33 0.09 0.00 0.00 178.44 178.42 3kr3 h GLU 57 N 0.28 0.43 0.00 1.13 4.39 -0.37 0.10 114.58 120.53 3kr3 h GLU 57 Ca 0.25 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3kr3 h GLU 57 Cb 0.32 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3kr3 h GLU 57 CO -0.30 0.28 0.00 1.79 -1.16 0.00 0.00 179.01 179.62 3kr3 h THR 58 N 0.44 0.00 0.00 1.13 1.35 -0.91 -2.07 112.91 112.85 3kr3 h THR 58 Ca 0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3kr3 h THR 58 Cb 0.13 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3kr3 h THR 58 CO -0.04 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.23 3kr3 n TYR 59 N -3.05 0.01 -3.24 4.73 4.19 0.02 -4.89 117.16 114.93 3kr3 n TYR 59 Ca -0.02 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 60.90 3kr3 n TYR 59 Cb 0.11 -0.50 -0.03 0.00 0.49 0.00 0.00 39.34 39.40 3kr3 n TYR 59 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kr3 s ALA 61 N -2.12 2.19 -0.46 0.00 0.00 -0.36 -4.10 121.76 116.91 3kr3 s ALA 61 Ca 0.46 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.88 3kr3 s ALA 61 Cb -0.11 -3.31 0.37 0.00 0.00 0.00 0.00 23.12 20.07 3kr3 s ALA 61 CO 0.29 -1.82 0.89 0.25 0.00 0.00 0.00 175.76 175.37 3kr3 n THR 62 N -3.41 1.57 -0.92 0.00 -2.24 -1.26 -4.88 114.28 103.14 3kr3 n THR 62 Ca 0.10 -4.86 -0.30 0.00 -2.27 0.00 0.00 64.05 56.72 3kr3 n THR 62 Cb 0.53 -0.73 0.15 0.00 -2.10 0.00 0.00 70.33 68.18 3kr3 n THR 62 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kr3 s PRO 63 N -3.06 1.11 0.00 -0.78 0.04 -1.26 -5.24 135.00 125.81 3kr3 s PRO 63 Ca 0.43 1.21 0.26 0.00 0.04 0.00 0.00 61.00 62.94 3kr3 s PRO 63 Cb 0.34 -1.76 0.58 0.00 0.04 0.00 0.00 34.50 33.70 3kr3 s PRO 63 CO -0.10 -2.46 1.48 0.00 0.04 0.00 0.00 177.00 175.96