#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2l s GLU 2 N 0.00 1.49 -1.12 1.61 0.41 -1.26 -5.06 118.70 114.77 1j2l s GLU 2 Ca 0.00 -0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 53.96 1j2l s GLU 2 Cb 0.00 -1.29 0.14 0.00 -1.78 0.00 0.00 34.13 31.20 1j2l s GLU 2 CO 0.00 0.12 1.36 -2.00 -0.49 0.00 0.00 175.26 174.25 1j2l s GLU 3 N 0.32 3.90 0.38 1.61 2.12 -1.26 -4.99 118.70 120.77 1j2l s GLU 3 Ca -0.07 -2.21 -0.25 0.00 0.36 0.00 0.00 54.97 52.79 1j2l s GLU 3 Cb -0.12 -5.07 -0.09 0.00 0.26 0.00 0.00 34.13 29.11 1j2l s GLU 3 CO 0.02 -1.83 1.13 0.00 -0.54 0.00 0.00 175.26 174.04 1j2l h ASP 5 N 2.77 0.00 -4.07 0.00 3.32 -1.36 -3.46 116.42 113.62 1j2l h ASP 5 Ca -0.48 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 55.88 1j2l h ASP 5 Cb 1.23 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.53 1j2l h ASP 5 CO 0.63 0.01 -0.79 0.00 -1.72 0.00 0.00 179.24 177.37 1j2l h GLY 7 N 5.50 0.52 -4.99 0.00 0.00 -1.94 -3.45 103.07 98.71 1j2l h GLY 7 Ca -0.44 -0.92 -0.69 0.00 0.00 0.00 0.00 47.33 45.28 1j2l h GLY 7 CO 0.50 0.82 -0.75 -0.45 0.00 0.00 0.00 176.54 176.66 1j2l s SER 8 N -7.13 4.22 0.40 0.19 0.15 -1.26 -5.00 113.70 105.27 1j2l s SER 8 Ca -0.07 -0.14 0.28 0.00 0.70 0.00 0.00 55.95 56.72 1j2l s SER 8 Cb 0.08 -0.96 1.41 0.00 -1.71 0.00 0.00 66.02 64.84 1j2l s SER 8 CO 0.88 0.35 1.85 -0.65 1.20 0.00 0.00 173.24 176.86 1j2l h PRO 9 N 5.34 0.00 0.00 5.44 0.11 -2.00 -1.72 132.00 139.17 1j2l h PRO 9 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1j2l h PRO 9 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j2l h PRO 9 CO 0.51 0.00 -0.26 0.66 -0.21 0.00 0.00 178.00 178.70 1j2l h SER 10 N 0.00 0.00 -2.25 -2.05 4.64 -1.99 -3.46 113.55 108.45 1j2l h SER 10 Ca 0.00 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 1j2l h SER 10 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1j2l h SER 10 CO 0.00 0.02 1.32 0.21 -0.87 0.00 0.00 176.83 177.52 1j2l s ASN 11 N -5.00 6.08 0.02 4.97 3.84 -0.65 -4.84 114.94 119.36 1j2l s ASN 11 Ca 0.07 2.35 0.14 0.00 0.21 0.00 0.00 52.86 55.64 1j2l s ASN 11 Cb 0.10 -2.52 0.62 0.00 -0.55 0.00 0.00 41.25 38.90 1j2l s ASN 11 CO 0.67 -1.39 1.46 -0.81 -2.79 0.00 0.00 177.10 174.24 1j2l n PRO 12 N 7.99 0.01 0.14 0.43 -0.04 -1.26 -2.88 135.00 139.39 1j2l n PRO 12 Ca 0.23 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1j2l n PRO 12 Cb 0.43 -1.53 0.49 0.00 -0.04 0.00 0.00 33.50 32.85 1j2l n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j2l s ASP 15 N -2.96 7.14 0.40 0.00 -1.08 0.51 -4.65 116.67 116.03 1j2l s ASP 15 Ca 0.26 1.58 0.15 0.00 -0.52 0.00 0.00 52.55 54.03 1j2l s ASP 15 Cb -0.09 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.84 1j2l s ASP 15 CO 0.17 -0.56 1.85 0.00 0.52 0.00 0.00 175.17 177.15 1j2l h ALA 16 N 7.36 2.10 -0.04 3.66 0.00 -1.90 0.22 119.26 130.66 1j2l h ALA 16 Ca -0.29 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1j2l h ALA 16 Cb 1.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1j2l h ALA 16 CO 0.90 -0.40 -0.93 0.00 0.00 0.00 0.00 179.25 178.82 1j2l h ALA 17 N 1.61 0.27 0.00 0.00 0.00 -1.96 -3.35 119.26 115.83 1j2l h ALA 17 Ca 0.48 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1j2l h ALA 17 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1j2l h ALA 17 CO -0.20 0.72 -1.76 0.25 0.00 0.00 0.00 179.25 178.26 1j2l n THR 18 N -3.85 0.17 -1.26 0.00 -2.24 -0.96 -4.96 114.28 101.19 1j2l n THR 18 Ca -0.09 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1j2l n THR 18 Cb 0.82 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 1j2l n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2l s LYS 20 N -2.50 2.09 0.13 0.00 1.02 -1.25 -0.88 119.74 118.35 1j2l s LYS 20 Ca 0.00 -1.59 -0.34 0.00 0.02 0.00 0.00 55.97 54.06 1j2l s LYS 20 Cb 0.00 -2.01 -0.16 0.00 -0.52 0.00 0.00 37.83 35.14 1j2l s LYS 20 CO 0.00 0.30 1.23 1.28 -0.92 0.00 0.00 175.35 177.24 1j2l n LEU 21 N -0.85 1.55 -4.91 3.17 4.77 -1.26 -0.36 117.00 119.11 1j2l n LEU 21 Ca -0.05 1.13 -0.27 0.00 -0.03 0.00 0.00 56.01 56.78 1j2l n LEU 21 Cb 0.60 -1.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1j2l n LEU 21 CO 0.40 -1.21 0.60 0.00 -1.33 0.00 0.00 177.39 175.86 1j2l s ARG 22 N -0.02 2.75 0.22 3.23 1.70 -0.06 -4.58 118.95 122.19 1j2l s ARG 22 Ca 0.78 0.06 -0.32 0.00 -0.47 0.00 0.00 55.73 55.78 1j2l s ARG 22 Cb -0.90 -2.19 -0.13 0.00 -0.57 0.00 0.00 34.95 31.16 1j2l s ARG 22 CO 0.50 -0.90 1.50 -2.30 -1.08 0.00 0.00 175.30 173.02 1j2l n PRO 23 N -2.76 2.17 0.00 3.89 -0.02 -1.26 -1.48 135.00 135.54 1j2l n PRO 23 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1j2l n PRO 23 Cb 0.58 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1j2l n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j2l n GLY 24 N 2.63 2.59 3.74 -1.23 0.00 -1.26 -5.04 105.19 106.61 1j2l n GLY 24 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1j2l n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2l s ALA 25 N -2.54 3.51 -0.06 4.61 0.00 -0.55 -4.88 121.76 121.85 1j2l s ALA 25 Ca 0.00 -0.20 0.21 0.00 0.00 0.00 0.00 51.96 51.96 1j2l s ALA 25 Cb 0.00 -2.60 -0.31 0.00 0.00 0.00 0.00 23.12 20.21 1j2l s ALA 25 CO 0.00 0.07 0.38 1.04 0.00 0.00 0.00 175.76 177.25 1j2l n GLN 26 N 3.42 0.67 -3.80 0.00 6.02 0.13 -4.77 117.38 119.05 1j2l n GLN 26 Ca -0.08 -0.16 -0.08 0.00 -0.01 0.00 0.00 57.00 56.67 1j2l n GLN 26 Cb 0.52 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 1j2l n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j2l n ALA 28 N -0.42 1.45 -3.83 0.00 0.00 -1.26 -4.23 120.51 112.22 1j2l n ALA 28 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1j2l n ALA 28 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1j2l n ALA 28 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1j2l s ASP 29 N -1.02 -0.03 0.00 0.00 1.47 -1.26 -4.94 116.67 110.89 1j2l s ASP 29 Ca 0.00 -0.93 0.00 0.00 1.18 0.00 0.00 52.55 52.80 1j2l s ASP 29 Cb 0.00 0.73 0.00 0.00 -0.34 0.00 0.00 42.92 43.31 1j2l s ASP 29 CO 0.00 -1.43 0.00 0.61 0.68 0.00 0.00 175.17 175.03 1j2l n GLY 30 N -0.57 2.97 0.29 2.12 0.00 -1.26 -4.51 105.19 104.23 1j2l n GLY 30 Ca -0.06 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1j2l n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j2l h LEU 31 N 0.00 0.00 -3.63 0.99 3.38 -1.85 -1.98 115.31 112.23 1j2l h LEU 31 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1j2l h LEU 31 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 1j2l h LEU 31 CO 0.00 0.00 0.23 0.00 0.09 0.00 0.00 178.44 178.76 1j2l s ASP 34 N 0.35 0.38 -1.45 0.00 2.15 0.22 -4.76 116.67 113.55 1j2l s ASP 34 Ca -0.18 0.37 -0.10 0.00 0.43 0.00 0.00 52.55 53.07 1j2l s ASP 34 Cb -0.18 0.32 0.04 0.00 -0.30 0.00 0.00 42.92 42.80 1j2l s ASP 34 CO 0.08 -0.21 0.95 0.00 -0.17 0.00 0.00 175.17 175.82 1j2l n GLN 35 N 4.93 -6.23 -1.13 4.34 6.02 -1.26 -1.30 117.38 122.75 1j2l n GLN 35 Ca -0.13 0.75 -0.05 0.00 -0.01 0.00 0.00 57.00 57.57 1j2l n GLN 35 Cb 0.51 -5.69 -0.02 0.00 1.02 0.00 0.00 30.24 26.05 1j2l n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j2l s ARG 37 N -1.84 1.20 0.24 0.00 1.81 -0.42 0.18 118.95 120.12 1j2l s ARG 37 Ca 0.00 -1.24 -0.30 0.00 -1.72 0.00 0.00 55.73 52.47 1j2l s ARG 37 Cb 0.00 -1.47 -0.10 0.00 -0.45 0.00 0.00 34.95 32.94 1j2l s ARG 37 CO 0.00 0.33 1.37 -0.06 -0.68 0.00 0.00 175.30 176.26 1j2l s PHE 38 N -1.31 3.12 0.62 -0.53 0.08 -1.26 -0.61 117.98 118.09 1j2l s PHE 38 Ca 0.09 1.16 -0.16 0.00 0.12 0.00 0.00 56.93 58.15 1j2l s PHE 38 Cb -0.09 -3.71 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 1j2l s PHE 38 CO 0.05 -2.23 1.09 0.15 -0.10 0.00 0.00 175.22 174.18 1j2l s LYS 39 N -0.50 3.05 0.45 0.44 1.02 0.36 -4.83 119.74 119.73 1j2l s LYS 39 Ca 0.57 1.34 -0.24 0.00 0.02 0.00 0.00 55.97 57.65 1j2l s LYS 39 Cb -0.39 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.84 1j2l s LYS 39 CO 0.43 -1.05 1.22 1.17 -0.92 0.00 0.00 175.35 176.20 1j2l n LYS 40 N -2.17 1.73 -1.64 1.68 4.81 -1.26 -3.60 118.16 117.71 1j2l n LYS 40 Ca 0.10 0.62 -0.42 0.00 -0.87 0.00 0.00 58.31 57.74 1j2l n LYS 40 Cb 0.52 -2.35 0.01 0.00 0.02 0.00 0.00 35.03 33.23 1j2l n LYS 40 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j2l n LYS 41 N -0.17 1.57 -0.51 1.64 4.81 -1.26 -2.12 118.16 122.12 1j2l n LYS 41 Ca 0.08 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1j2l n LYS 41 Cb 0.41 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1j2l n LYS 41 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1j2l n ARG 42 N 0.23 0.00 -1.69 1.64 1.74 0.59 -4.93 116.66 114.24 1j2l n ARG 42 Ca 0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 1j2l n ARG 42 Cb 0.38 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1j2l n ARG 42 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1j2l n THR 43 N -2.00 0.37 -2.11 0.55 -1.04 -0.90 -4.58 114.28 104.57 1j2l n THR 43 Ca 0.00 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1j2l n THR 43 Cb 0.00 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.34 1j2l n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1j2l s ILE 44 N 2.76 3.63 0.00 12.58 1.01 -1.26 0.13 121.20 140.05 1j2l s ILE 44 Ca 0.82 0.90 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1j2l s ILE 44 Cb -0.47 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1j2l s ILE 44 CO 0.37 -0.05 0.13 0.00 0.00 0.00 0.00 174.94 175.40 1j2l s ARG 46 N -0.73 0.57 -0.32 0.00 3.52 -1.15 -4.99 118.95 115.85 1j2l s ARG 46 Ca 0.00 0.92 -0.20 0.00 -0.13 0.00 0.00 55.73 56.32 1j2l s ARG 46 Cb 0.00 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1j2l s ARG 46 CO 0.00 -0.13 0.60 0.42 -0.81 0.00 0.00 175.30 175.38 1j2l s ILE 47 N 1.16 4.95 0.47 4.11 -1.09 -1.26 -1.05 121.20 128.48 1j2l s ILE 47 Ca -0.07 0.72 -0.22 0.00 -2.23 0.00 0.00 60.65 58.86 1j2l s ILE 47 Cb -0.06 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1j2l s ILE 47 CO -0.11 -0.17 1.10 0.00 -1.23 0.00 0.00 174.94 174.53 1j2l s ALA 48 N 2.58 2.91 0.17 9.38 0.00 -1.26 -4.97 121.76 130.57 1j2l s ALA 48 Ca 0.24 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 1j2l s ALA 48 Cb -0.15 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1j2l s ALA 48 CO 0.12 -0.49 0.75 -0.98 0.00 0.00 0.00 175.76 175.16 1j2l s ARG 49 N -2.91 4.46 0.35 0.00 1.70 -1.26 -4.80 118.95 116.49 1j2l s ARG 49 Ca 0.65 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.96 1j2l s ARG 49 Cb -0.23 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 30.99 1j2l s ARG 49 CO 0.28 0.53 0.00 0.41 -1.08 0.00 0.00 175.30 175.44 1j2l n GLY 50 N 1.39 -2.24 2.74 3.88 0.00 -1.26 -4.38 105.19 105.33 1j2l n GLY 50 Ca -0.05 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1j2l n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2l n ASP 51 N -0.28 5.41 -4.31 1.61 8.00 -1.26 -4.90 116.55 120.82 1j2l n ASP 51 Ca 0.00 -3.01 -0.21 0.00 0.71 0.00 0.00 54.79 52.28 1j2l n ASP 51 Cb 0.00 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 39.48 1j2l n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j2l s PHE 52 N 0.99 1.72 0.30 1.24 0.08 -1.26 -5.11 117.98 115.94 1j2l s PHE 52 Ca 0.45 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 1j2l s PHE 52 Cb 0.12 -0.87 -0.12 0.00 -0.57 0.00 0.00 43.02 41.59 1j2l s PHE 52 CO -0.04 0.29 1.51 -2.30 -0.10 0.00 0.00 175.22 174.58 1j2l n PRO 53 N 0.35 2.51 -2.21 0.24 -0.02 -1.26 -4.64 135.00 129.97 1j2l n PRO 53 Ca -0.14 0.89 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1j2l n PRO 53 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1j2l n PRO 53 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j2l s ASP 54 N 0.29 5.78 0.34 2.55 1.01 -1.26 -4.55 116.67 120.83 1j2l s ASP 54 Ca 0.62 2.27 -0.25 0.00 0.71 0.00 0.00 52.55 55.90 1j2l s ASP 54 Cb -0.53 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 40.71 1j2l s ASP 54 CO 0.52 -1.18 0.96 -1.81 0.21 0.00 0.00 175.17 173.87 1j2l s ASP 55 N -1.59 7.23 0.08 0.27 1.01 -0.22 -4.92 116.67 118.54 1j2l s ASP 55 Ca 0.70 1.84 0.05 0.00 0.71 0.00 0.00 52.55 55.85 1j2l s ASP 55 Cb -0.27 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.06 1j2l s ASP 55 CO 0.31 -0.15 -0.13 -0.13 0.21 0.00 0.00 175.17 175.29 1j2l s ARG 56 N -2.23 0.83 0.59 8.23 0.52 -1.26 -0.54 118.95 125.09 1j2l s ARG 56 Ca 0.52 -1.03 -0.18 0.00 -0.52 0.00 0.00 55.73 54.52 1j2l s ARG 56 Cb -0.18 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1j2l s ARG 56 CO 0.23 0.15 1.15 0.00 0.02 0.00 0.00 175.30 176.84 1j2l n THR 58 N -1.67 0.63 -0.21 0.00 -2.24 -1.26 -0.30 114.28 109.22 1j2l n THR 58 Ca 0.12 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1j2l n THR 58 Cb 0.51 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1j2l n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j2l n GLY 59 N 1.21 1.14 0.00 3.38 0.00 -1.24 -4.40 105.19 105.28 1j2l n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j2l n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j2l n GLN 60 N -2.00 1.32 -3.87 1.61 6.02 -1.26 -4.82 117.38 114.38 1j2l n GLN 60 Ca 0.00 -0.99 -0.09 0.00 -0.01 0.00 0.00 57.00 55.90 1j2l n GLN 60 Cb 0.00 -0.89 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 1j2l n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1j2l s SER 61 N -0.53 -0.03 0.01 1.08 1.04 -1.26 -5.05 113.70 108.96 1j2l s SER 61 Ca 0.00 -0.71 0.23 0.00 0.48 0.00 0.00 55.95 55.95 1j2l s SER 61 Cb 0.00 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1j2l s SER 61 CO 0.00 -0.90 1.08 0.00 0.98 0.00 0.00 173.24 174.40 1j2l n ALA 62 N -0.22 4.09 -2.23 5.32 0.00 -1.26 -4.56 120.51 121.65 1j2l n ALA 62 Ca -0.10 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.60 1j2l n ALA 62 Cb 0.63 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.17 1j2l n ALA 62 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1j2l s ASP 63 N -3.19 5.99 -0.41 0.00 1.47 -1.26 -0.19 116.67 119.08 1j2l s ASP 63 Ca 0.08 0.76 -0.10 0.00 1.18 0.00 0.00 52.55 54.47 1j2l s ASP 63 Cb 0.16 -1.97 0.07 0.00 -0.34 0.00 0.00 42.92 40.84 1j2l s ASP 63 CO 0.80 -0.74 0.25 0.00 0.68 0.00 0.00 175.17 176.16 1j2l s PRO 65 N 1.45 2.58 -0.19 0.00 0.04 -1.26 -5.00 135.00 132.62 1j2l s PRO 65 Ca 0.03 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1j2l s PRO 65 Cb -0.22 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1j2l s PRO 65 CO 0.03 -1.49 0.64 1.03 0.04 0.00 0.00 177.00 177.25 1j2l s ARG 66 N -3.67 4.23 0.26 4.56 1.81 -1.26 -4.45 118.95 120.44 1j2l s ARG 66 Ca 0.75 0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 55.12 1j2l s ARG 66 Cb -0.29 -3.57 -0.14 0.00 -0.45 0.00 0.00 34.95 30.50 1j2l s ARG 66 CO 0.39 -0.22 1.19 1.87 -0.68 0.00 0.00 175.30 177.85 1j2l n TRP 67 N 4.97 1.69 -0.40 -0.53 -0.00 -1.26 -5.11 117.44 116.80 1j2l n TRP 67 Ca -0.01 0.60 0.00 0.00 -0.00 0.00 0.00 57.50 58.09 1j2l n TRP 67 Cb 0.50 -2.34 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 1j2l n TRP 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98