#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2y s ASP 3 N 0.00 0.31 -0.04 1.61 1.11 -1.26 -4.84 116.67 113.55 3k2y s ASP 3 Ca 0.00 -0.65 -0.21 0.00 0.18 0.00 0.00 52.55 51.87 3k2y s ASP 3 Cb 0.00 0.14 0.04 0.00 1.07 0.00 0.00 42.92 44.17 3k2y s ASP 3 CO 0.00 -0.40 0.47 0.00 1.18 0.00 0.00 175.17 176.42 3k2y s ALA 4 N -2.24 -1.21 -0.05 5.23 0.00 -0.55 -4.97 121.76 117.97 3k2y s ALA 4 Ca -0.09 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3k2y s ALA 4 Cb -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3k2y s ALA 4 CO -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 175.76 175.40 3k2y s ALA 5 N -1.15 0.63 -0.17 0.00 0.00 -1.26 -1.33 121.76 118.48 3k2y s ALA 5 Ca -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3k2y s ALA 5 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3k2y s ALA 5 CO 0.06 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 175.70 3k2y s VAL 6 N 1.28 3.88 0.28 0.00 1.01 0.15 -4.87 120.40 122.12 3k2y s VAL 6 Ca -0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3k2y s VAL 6 Cb -0.13 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 3k2y s VAL 6 CO -0.02 0.47 1.15 0.00 0.00 0.00 0.00 175.10 176.70 3k2y s ALA 7 N 0.58 3.43 0.00 5.51 0.00 -1.26 -0.49 121.76 129.52 3k2y s ALA 7 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3k2y s ALA 7 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3k2y s ALA 7 CO 0.02 -0.28 0.00 1.28 0.00 0.00 0.00 175.76 176.78 3k2y n LEU 8 N 1.26 0.00 0.00 0.00 4.77 0.07 -4.91 117.00 118.19 3k2y n LEU 8 Ca -0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3k2y n LEU 8 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3k2y n LEU 8 CO 0.55 0.00 0.18 -0.67 -1.33 0.00 0.00 177.39 176.12 3k2y n ASP 9 N 0.00 -1.30 -4.91 -1.43 -0.08 -1.24 -4.94 116.55 102.65 3k2y n ASP 9 Ca 0.00 -2.69 -0.32 0.00 -1.51 0.00 0.00 54.79 50.27 3k2y n ASP 9 Cb 0.00 2.40 -0.04 0.00 2.34 0.00 0.00 41.12 45.81 3k2y n ASP 9 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3k2y s THR 10 N -2.73 5.35 0.11 5.18 -4.23 -1.26 0.60 115.64 118.66 3k2y s THR 10 Ca 0.25 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 3k2y s THR 10 Cb -0.01 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3k2y s THR 10 CO 0.18 0.20 0.03 0.68 -0.54 0.00 0.00 174.62 175.17 3k2y s VAL 11 N -1.47 0.18 0.00 2.29 -7.23 0.73 -4.94 120.40 109.97 3k2y s VAL 11 Ca 0.33 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3k2y s VAL 11 Cb -0.13 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3k2y s VAL 11 CO 0.24 -0.60 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.52 3k2y s THR 12 N -3.98 4.07 -0.30 5.32 2.01 -1.26 -0.25 115.64 121.25 3k2y s THR 12 Ca 0.20 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 3k2y s THR 12 Cb 0.07 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 3k2y s THR 12 CO -0.01 0.37 0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 3k2y s VAL 13 N -1.08 4.32 0.51 3.82 1.01 0.13 -1.43 120.40 127.68 3k2y s VAL 13 Ca 0.19 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3k2y s VAL 13 Cb -0.11 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.13 3k2y s VAL 13 CO 0.10 0.11 0.40 1.33 0.00 0.00 0.00 175.10 177.04 3k2y n VAL 14 N 4.93 0.00 -1.00 2.92 0.24 0.10 -4.37 118.33 121.16 3k2y n VAL 14 Ca -0.14 -1.99 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 3k2y n VAL 14 Cb 0.49 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 3k2y n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k2y n GLY 15 N -1.11 0.51 0.22 7.63 0.00 -1.26 -1.00 105.19 110.17 3k2y n GLY 15 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3k2y n GLY 15 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k2y h GLU 16 N 1.11 0.31 -0.93 1.61 3.07 -1.86 -1.50 114.58 116.39 3k2y h GLU 16 Ca 0.00 -0.02 0.27 0.00 -0.50 0.00 0.00 59.36 59.11 3k2y h GLU 16 Cb 0.06 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 3k2y h GLU 16 CO 0.00 0.21 0.77 0.07 -1.40 0.00 0.00 179.01 178.65 3k2y h ARG 17 N 0.32 0.00 -0.01 2.33 0.11 -1.92 0.68 114.38 115.89 3k2y h ARG 17 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3k2y h ARG 17 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 3k2y h ARG 17 CO -0.32 0.00 -0.06 0.66 0.10 0.00 0.00 179.97 180.35 3k2y n TYR 18 N -3.93 0.00 -3.30 4.08 4.01 -0.57 -4.82 117.16 112.64 3k2y n TYR 18 Ca 0.20 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.54 3k2y n TYR 18 Cb 1.08 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.99 3k2y n TYR 18 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3k2y s VAL 19 N -2.14 5.11 0.00 -0.72 1.01 0.24 -5.03 120.40 118.87 3k2y s VAL 19 Ca 0.35 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3k2y s VAL 19 Cb 0.21 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3k2y s VAL 19 CO 0.39 0.12 0.37 0.47 0.00 0.00 0.00 175.10 176.46 3k2y n ASP 20 N 5.38 0.00 0.00 3.32 8.00 -1.26 -2.21 116.55 129.78 3k2y n ASP 20 Ca -0.06 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3k2y n ASP 20 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.63 3k2y n ASP 20 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k2y n ASP 21 N -0.63 0.00 -0.21 -2.24 -0.08 -1.26 -4.33 116.55 107.80 3k2y n ASP 21 Ca 0.00 -0.99 0.13 0.00 -1.51 0.00 0.00 54.79 52.42 3k2y n ASP 21 Cb 0.00 0.00 0.25 0.00 2.34 0.00 0.00 41.12 43.71 3k2y n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k2y n ILE 22 N -0.53 -0.26 -0.06 5.18 0.00 -0.94 -0.48 119.36 122.28 3k2y n ILE 22 Ca 0.01 1.33 -0.11 0.00 0.00 0.00 0.00 62.75 63.98 3k2y n ILE 22 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 39.64 37.57 3k2y n ILE 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 3k2y h VAL 23 N 0.00 1.19 -0.04 9.51 3.04 -1.83 -2.48 116.25 125.64 3k2y h VAL 23 Ca 0.44 -0.61 -0.20 0.00 -1.01 0.00 0.00 66.70 65.32 3k2y h VAL 23 Cb 1.02 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3k2y h VAL 23 CO -0.54 0.19 -0.80 0.00 -1.01 0.00 0.00 177.57 175.40 3k2y h ALA 24 N 0.87 0.53 -0.49 3.17 0.00 -1.13 -3.26 119.26 118.95 3k2y h ALA 24 Ca 0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3k2y h ALA 24 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k2y h ALA 24 CO -0.00 0.80 0.06 1.15 0.00 0.00 0.00 179.25 181.26 3k2y h THR 25 N 0.23 1.23 0.00 0.00 2.02 -1.27 -0.55 112.91 114.57 3k2y h THR 25 Ca -0.04 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3k2y h THR 25 Cb 1.40 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3k2y h THR 25 CO 0.14 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.52 3k2y n LEU 26 N -4.25 0.00 -0.03 2.58 4.77 -0.94 -1.10 117.00 118.03 3k2y n LEU 26 Ca 0.03 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3k2y n LEU 26 Cb 0.26 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 3k2y n LEU 26 CO 0.40 -0.17 -0.63 0.41 -1.33 0.00 0.00 177.39 176.07 3k2y n THR 27 N -1.24 1.60 1.78 -5.08 -1.04 -0.22 -3.82 114.28 106.26 3k2y n THR 27 Ca 0.04 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 3k2y n THR 27 Cb 0.06 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 3k2y n THR 27 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3k2y n THR 28 N -3.06 0.00 -4.39 12.58 -2.24 -0.26 -4.74 114.28 112.17 3k2y n THR 28 Ca -0.20 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 3k2y n THR 28 Cb 1.06 -0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.04 3k2y n THR 28 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k2y s LEU 29 N -0.81 1.92 0.07 3.22 0.20 -1.23 -4.93 118.68 117.12 3k2y s LEU 29 Ca 0.00 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.70 3k2y s LEU 29 Cb 0.00 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.22 3k2y s LEU 29 CO 0.00 0.10 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.88 3k2y s ARG 30 N -0.05 0.86 0.40 1.98 3.00 -1.26 -4.96 118.95 118.92 3k2y s ARG 30 Ca 0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 55.73 54.53 3k2y s ARG 30 Cb -0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 34.95 33.88 3k2y s ARG 30 CO -0.00 0.20 0.85 0.28 0.00 0.00 0.00 175.30 176.63 3k2y n VAL 31 N 1.30 2.19 -1.00 3.52 0.31 -1.26 -1.56 118.33 121.82 3k2y n VAL 31 Ca -0.21 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.62 3k2y n VAL 31 Cb 0.54 -0.90 -0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3k2y n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2y n GLY 32 N 1.40 0.44 3.91 2.92 0.00 0.17 -4.98 105.19 109.06 3k2y n GLY 32 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3k2y n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k2y s MET 33 N -0.25 3.54 0.41 1.61 0.00 -0.60 -4.76 119.30 119.25 3k2y s MET 33 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 55.69 55.32 3k2y s MET 33 Cb 0.00 -2.90 -0.07 0.00 0.00 0.00 0.00 34.83 31.86 3k2y s MET 33 CO 0.00 0.49 0.79 0.00 0.00 0.00 0.00 175.02 176.31 3k2y s ALA 34 N -1.67 3.31 0.07 4.11 0.00 -1.26 0.68 121.76 127.01 3k2y s ALA 34 Ca 0.39 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3k2y s ALA 34 Cb -0.12 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 3k2y s ALA 34 CO 0.27 -0.01 -0.07 0.14 0.00 0.00 0.00 175.76 176.09 3k2y s VAL 35 N -2.37 0.64 0.13 0.00 -7.23 0.11 -4.41 120.40 107.26 3k2y s VAL 35 Ca 0.52 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 3k2y s VAL 35 Cb -0.10 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 3k2y s VAL 35 CO 0.30 -0.64 0.41 -0.76 -0.31 0.00 0.00 175.10 174.10 3k2y s LEU 36 N -2.38 4.29 0.02 1.32 1.43 0.96 -2.28 118.68 122.04 3k2y s LEU 36 Ca 0.02 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 3k2y s LEU 36 Cb -0.02 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 3k2y s LEU 36 CO -0.02 0.09 -0.12 -0.76 0.23 0.00 0.00 176.35 175.76 3k2y s LEU 37 N -2.36 2.89 -0.06 1.79 1.02 -1.26 -0.55 118.68 120.15 3k2y s LEU 37 Ca 0.38 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.24 3k2y s LEU 37 Cb -0.13 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.43 3k2y s LEU 37 CO 0.21 0.27 0.01 -1.58 0.02 0.00 0.00 176.35 175.28 3k2y s GLN 38 N -1.44 0.44 0.02 1.70 0.74 -0.59 -5.00 119.66 115.52 3k2y s GLN 38 Ca 0.16 0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 3k2y s GLN 38 Cb -0.11 -0.80 -0.03 0.00 1.10 0.00 0.00 33.01 33.17 3k2y s GLN 38 CO 0.07 -0.27 0.97 0.50 -0.55 0.00 0.00 175.29 176.01 3k2y s ARG 39 N 1.80 4.58 -0.58 1.67 6.06 -1.26 -1.18 118.95 130.04 3k2y s ARG 39 Ca 0.02 1.41 0.06 0.00 -2.50 0.00 0.00 55.73 54.72 3k2y s ARG 39 Cb -0.13 -3.45 0.21 0.00 0.06 0.00 0.00 34.95 31.64 3k2y s ARG 39 CO -0.04 -0.00 0.54 0.39 -2.50 0.00 0.00 175.30 173.69 3k2y n GLU 40 N 3.71 1.53 0.00 5.12 1.02 -0.76 -4.90 120.64 126.37 3k2y n GLU 40 Ca 0.05 -4.08 0.06 0.00 -0.02 0.00 0.00 57.16 53.18 3k2y n GLU 40 Cb 0.51 -1.98 0.30 0.00 -0.02 0.00 0.00 31.44 30.24 3k2y n GLU 40 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k2y n SER 41 N 1.72 0.00 -0.95 1.62 3.41 -1.26 -1.61 113.62 116.55 3k2y n SER 41 Ca 0.25 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3k2y n SER 41 Cb 0.42 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.19 3k2y n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2y n GLY 42 N -0.17 1.13 3.67 5.00 0.00 -1.26 -4.62 105.19 108.94 3k2y n GLY 42 Ca 0.04 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3k2y n GLY 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k2y s ASN 43 N -1.73 6.47 0.39 1.61 3.84 -0.63 -4.85 114.94 120.04 3k2y s ASN 43 Ca 0.34 2.66 0.28 0.00 0.21 0.00 0.00 52.86 56.35 3k2y s ASN 43 Cb 0.21 -2.55 1.35 0.00 -0.55 0.00 0.00 41.25 39.71 3k2y s ASN 43 CO 0.31 -1.01 1.85 0.06 -2.79 0.00 0.00 177.10 175.51 3k2y h GLN 44 N 9.63 0.00 0.00 0.43 -0.00 -1.92 -2.80 115.11 120.46 3k2y h GLN 44 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.07 3k2y h GLN 44 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.68 3k2y h GLN 44 CO 0.94 0.00 -1.90 0.66 -0.00 0.00 0.00 178.83 178.53 3k2y n TYR 45 N -2.52 0.24 -3.39 0.06 4.01 -1.26 -4.92 117.16 109.39 3k2y n TYR 45 Ca -0.00 0.08 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 3k2y n TYR 45 Cb 0.15 -0.75 -0.03 0.00 -0.31 0.00 0.00 39.34 38.40 3k2y n TYR 45 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k2y s ASP 46 N -5.02 -1.22 0.00 7.72 -1.08 -1.06 -5.01 116.67 111.00 3k2y s ASP 46 Ca -0.07 1.19 0.16 0.00 -0.52 0.00 0.00 52.55 53.30 3k2y s ASP 46 Cb 0.11 2.19 0.75 0.00 -1.46 0.00 0.00 42.92 44.51 3k2y s ASP 46 CO 0.86 -0.23 1.46 -0.90 0.52 0.00 0.00 175.17 176.89 3k2y n ASP 47 N 5.42 0.00 -0.85 -0.34 5.75 -1.25 -1.72 116.55 123.57 3k2y n ASP 47 Ca -0.07 0.21 0.09 0.00 -0.01 0.00 0.00 54.79 55.02 3k2y n ASP 47 Cb 0.50 -0.36 0.13 0.00 -1.03 0.00 0.00 41.12 40.36 3k2y n ASP 47 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3k2y n ASN 48 N -1.36 2.86 -4.51 -1.12 5.03 -1.26 -4.24 115.26 110.66 3k2y n ASN 48 Ca 0.06 -1.85 -0.42 0.00 0.87 0.00 0.00 54.58 53.25 3k2y n ASN 48 Cb 0.14 -0.12 0.01 0.00 -1.02 0.00 0.00 39.78 38.79 3k2y n ASN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k2y n ALA 49 N 1.10 -0.92 -3.42 5.41 0.00 -0.70 -4.70 120.51 117.28 3k2y n ALA 49 Ca 0.14 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 3k2y n ALA 49 Cb 0.49 -1.88 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 3k2y n ALA 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k2y s ILE 50 N -1.39 -0.41 0.43 0.00 1.01 -1.26 -1.83 121.20 117.75 3k2y s ILE 50 Ca 0.64 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 3k2y s ILE 50 Cb -0.59 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3k2y s ILE 50 CO 0.57 -0.33 0.91 -0.94 0.00 0.00 0.00 174.94 175.15 3k2y s SER 51 N 2.38 6.79 0.03 3.58 1.04 -0.32 -1.20 113.70 126.00 3k2y s SER 51 Ca 0.09 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.10 3k2y s SER 51 Cb -0.15 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 3k2y s SER 51 CO -0.23 -0.40 -0.05 -0.69 0.98 0.00 0.00 173.24 172.85 3k2y s VAL 52 N -2.29 3.78 0.07 5.02 1.01 -0.21 -1.54 120.40 126.24 3k2y s VAL 52 Ca 0.59 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3k2y s VAL 52 Cb -0.10 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3k2y s VAL 52 CO 0.20 0.31 0.06 0.26 0.00 0.00 0.00 175.10 175.93 3k2y s TRP 53 N -1.09 0.38 0.64 5.22 0.52 0.28 -1.24 118.94 123.65 3k2y s TRP 53 Ca 0.20 -0.88 -0.09 0.00 0.02 0.00 0.00 56.10 55.35 3k2y s TRP 53 Cb -0.11 -0.26 0.01 0.00 -1.15 0.00 0.00 33.47 31.96 3k2y s TRP 53 CO 0.11 -0.45 0.99 0.99 0.02 0.00 0.00 176.95 178.61 3k2y s THR 54 N -3.90 3.60 0.53 2.01 2.01 -0.67 -0.03 115.64 119.18 3k2y s THR 54 Ca 0.07 0.23 0.36 0.00 0.31 0.00 0.00 61.69 62.66 3k2y s THR 54 Cb 0.07 -3.47 0.38 0.00 0.01 0.00 0.00 72.50 69.49 3k2y s THR 54 CO -0.10 -0.55 2.23 -0.07 -0.69 0.00 0.00 174.62 175.44 3k2y h LEU 55 N -0.40 0.00 -0.59 4.42 3.38 -1.92 0.34 115.31 120.54 3k2y h LEU 55 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3k2y h LEU 55 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3k2y h LEU 55 CO 0.62 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 179.13 3k2y n GLN 56 N -3.40 1.27 -2.41 1.13 3.00 -1.26 -4.94 117.38 110.77 3k2y n GLN 56 Ca -0.02 -0.59 -0.05 0.00 -0.01 0.00 0.00 57.00 56.33 3k2y n GLN 56 Cb 0.14 -1.49 0.03 0.00 0.00 0.00 0.00 30.24 28.92 3k2y n GLN 56 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3k2y n HIS 57 N -0.35 -0.67 -4.44 1.08 8.25 0.12 -5.06 115.22 114.15 3k2y n HIS 57 Ca 0.19 0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 57.60 3k2y n HIS 57 Cb 0.29 -2.95 -0.15 0.00 1.12 0.00 0.00 29.99 28.30 3k2y n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k2y s ALA 58 N -3.11 2.45 0.36 -1.41 0.00 -1.25 -4.85 121.76 113.95 3k2y s ALA 58 Ca 0.01 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 3k2y s ALA 58 Cb -0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.79 3k2y s ALA 58 CO 0.22 -0.11 1.49 0.21 0.00 0.00 0.00 175.76 177.57 3k2y s LYS 59 N 0.94 4.12 -0.04 0.00 2.20 -1.26 -1.68 119.74 124.03 3k2y s LYS 59 Ca -0.03 2.56 0.05 0.00 -0.36 0.00 0.00 55.97 58.19 3k2y s LYS 59 Cb -0.15 -2.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.12 3k2y s LYS 59 CO -0.03 -0.53 0.04 1.28 -0.36 0.00 0.00 175.35 175.76 3k2y n LEU 60 N 0.69 0.00 0.00 5.43 4.32 -0.38 -4.79 117.00 122.27 3k2y n LEU 60 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3k2y n LEU 60 Cb 0.39 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 3k2y n LEU 60 CO 0.63 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 3k2y n GLY 61 N 2.56 -0.00 3.14 -0.72 0.00 -1.23 -4.24 105.19 104.69 3k2y n GLY 61 Ca -0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3k2y n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2y s TYR 62 N -4.00 0.75 0.10 1.61 1.51 -0.17 -1.05 117.35 116.10 3k2y s TYR 62 Ca 0.00 -1.04 -0.30 0.00 -1.01 0.00 0.00 57.07 54.72 3k2y s TYR 62 Cb 0.00 -0.47 -0.06 0.00 -0.11 0.00 0.00 41.96 41.32 3k2y s TYR 62 CO 0.00 -0.31 1.11 0.42 -1.11 0.00 0.00 175.55 175.66 3k2y s ILE 63 N -3.82 4.13 0.25 2.71 -1.09 -0.34 -0.72 121.20 122.32 3k2y s ILE 63 Ca 0.13 1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 59.90 3k2y s ILE 63 Cb 0.07 -4.05 -0.15 0.00 -1.58 0.00 0.00 42.46 36.75 3k2y s ILE 63 CO -0.05 0.19 0.97 0.00 -1.23 0.00 0.00 174.94 174.82 3k2y n ALA 64 N 3.29 -0.77 0.01 9.38 0.00 -0.51 -4.73 120.51 127.17 3k2y n ALA 64 Ca 0.06 0.42 0.19 0.00 0.00 0.00 0.00 53.44 54.11 3k2y n ALA 64 Cb 0.47 -1.96 0.68 0.00 0.00 0.00 0.00 19.45 18.64 3k2y n ALA 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3k2y h ARG 65 N 2.16 0.02 -0.44 0.00 2.43 -1.92 0.02 114.38 116.66 3k2y h ARG 65 Ca -0.39 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3k2y h ARG 65 Cb 1.36 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3k2y h ARG 65 CO 0.62 0.01 0.00 2.48 -1.51 0.00 0.00 179.97 181.58 3k2y n TYR 66 N -4.39 0.33 -0.94 2.20 0.18 -1.26 -3.09 117.16 110.20 3k2y n TYR 66 Ca 0.09 -0.14 0.00 0.00 1.88 0.00 0.00 57.90 59.73 3k2y n TYR 66 Cb 0.57 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 3k2y n TYR 66 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3k2y n GLN 67 N 0.07 0.13 0.02 -3.48 6.02 -0.04 -4.96 117.38 115.13 3k2y n GLN 67 Ca 0.06 -0.44 -0.01 0.00 -0.01 0.00 0.00 57.00 56.61 3k2y n GLN 67 Cb 0.27 -0.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.99 3k2y n GLN 67 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3k2y h ASN 68 N 0.00 -0.04 -0.25 1.08 -0.26 -1.39 -3.41 115.58 111.32 3k2y h ASN 68 Ca 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3k2y h ASN 68 Cb 0.85 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 38.09 3k2y h ASN 68 CO 0.00 -0.01 -0.14 1.67 -1.06 0.00 0.00 177.43 177.88 3k2y n GLN 69 N -2.19 -0.11 0.03 0.81 7.27 -1.26 -1.74 117.38 120.18 3k2y n GLN 69 Ca -0.01 0.48 -0.16 0.00 0.07 0.00 0.00 57.00 57.39 3k2y n GLN 69 Cb 0.02 -0.71 -0.10 0.00 2.41 0.00 0.00 30.24 31.85 3k2y n GLN 69 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3k2y h PRO 70 N 0.00 -0.61 -0.18 3.69 0.11 -1.99 -1.25 132.00 131.77 3k2y h PRO 70 Ca 0.04 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 3k2y h PRO 70 Cb 0.10 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3k2y h PRO 70 CO -0.23 -0.41 -0.18 1.88 -0.21 0.00 0.00 178.00 178.85 3k2y h TYR 71 N -0.64 0.32 -0.83 0.65 0.05 -1.71 -2.12 116.97 112.70 3k2y h TYR 71 Ca 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3k2y h TYR 71 Cb 0.71 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 3k2y h TYR 71 CO -0.55 0.47 0.49 0.00 -1.05 0.00 0.00 178.16 177.53 3k2y h ALA 72 N 1.54 1.06 -0.34 3.88 0.00 -0.89 -0.30 119.26 124.20 3k2y h ALA 72 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3k2y h ALA 72 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3k2y h ALA 72 CO 0.03 0.53 -0.22 1.15 0.00 0.00 0.00 179.25 180.74 3k2y h THR 73 N 1.14 1.29 -0.71 0.00 2.02 -0.77 -2.55 112.91 113.32 3k2y h THR 73 Ca 0.30 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 3k2y h THR 73 Cb -0.03 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3k2y h THR 73 CO -0.05 0.45 0.34 -0.07 0.37 0.00 0.00 175.52 176.55 3k2y h LEU 74 N 0.53 0.94 -1.14 2.58 3.38 -0.99 -2.55 115.31 118.06 3k2y h LEU 74 Ca 0.07 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3k2y h LEU 74 Cb 0.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3k2y h LEU 74 CO 0.06 0.82 -0.31 0.24 0.09 0.00 0.00 178.44 179.34 3k2y h MET 75 N 1.00 0.21 0.00 1.13 2.86 -1.04 -2.05 114.93 117.05 3k2y h MET 75 Ca 0.24 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3k2y h MET 75 Cb 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3k2y h MET 75 CO -0.03 0.50 0.00 -0.44 1.06 0.00 0.00 176.91 178.00 3k2y h ASP 76 N 0.19 0.00 -0.26 1.22 3.32 -1.06 -2.17 116.42 117.66 3k2y h ASP 76 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3k2y h ASP 76 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3k2y h ASP 76 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 3k2y n GLN 77 N -2.81 1.81 -0.26 3.56 6.02 -0.80 -4.91 117.38 119.99 3k2y n GLN 77 Ca 0.02 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 3k2y n GLN 77 Cb 0.32 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3k2y n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k2y n GLY 78 N 1.13 0.82 3.76 1.08 0.00 -0.81 -5.05 105.19 106.12 3k2y n GLY 78 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3k2y n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k2y s GLN 79 N -0.62 4.24 -0.42 1.61 -0.21 -1.01 -4.96 119.66 118.29 3k2y s GLN 79 Ca 0.00 2.37 -0.21 0.00 0.02 0.00 0.00 55.36 57.54 3k2y s GLN 79 Cb 0.00 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.97 3k2y s GLN 79 CO 0.00 -0.39 0.64 1.03 -2.12 0.00 0.00 175.29 174.44 3k2y s ARG 80 N -1.22 3.38 0.08 2.91 0.52 -1.26 -4.48 118.95 118.88 3k2y s ARG 80 Ca 0.55 -0.27 0.07 0.00 -0.52 0.00 0.00 55.73 55.56 3k2y s ARG 80 Cb -0.43 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.09 3k2y s ARG 80 CO 0.51 -0.94 -0.15 -0.51 0.02 0.00 0.00 175.30 174.23 3k2y s LEU 81 N 2.78 2.79 0.31 2.53 1.02 -1.26 -0.43 118.68 126.41 3k2y s LEU 81 Ca 0.23 -0.44 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 3k2y s LEU 81 Cb -0.14 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.46 3k2y s LEU 81 CO 0.18 0.21 0.58 -0.72 0.02 0.00 0.00 176.35 176.63 3k2y s TYR 82 N -1.07 0.40 0.18 0.29 1.13 -0.79 -4.21 117.35 113.27 3k2y s TYR 82 Ca 0.17 -0.82 0.02 0.00 -1.41 0.00 0.00 57.07 55.04 3k2y s TYR 82 Cb -0.11 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 3k2y s TYR 82 CO 0.09 -1.20 0.01 0.20 -2.51 0.00 0.00 175.55 172.14 3k2y s GLY 83 N -3.07 1.28 -0.12 5.49 0.00 -0.97 -0.94 107.32 109.00 3k2y s GLY 83 Ca 0.21 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.32 3k2y s GLY 83 CO 0.12 -1.54 -0.13 -0.42 0.00 0.00 0.00 173.10 171.13 3k2y s ILE 84 N -3.66 1.44 -0.20 0.90 1.01 -0.96 0.04 121.20 119.77 3k2y s ILE 84 Ca 0.25 -0.58 -0.34 0.00 0.00 0.00 0.00 60.65 59.99 3k2y s ILE 84 Cb 0.06 -1.35 -0.11 0.00 0.01 0.00 0.00 42.46 41.07 3k2y s ILE 84 CO 0.05 0.43 2.01 0.52 0.00 0.00 0.00 174.94 177.95 3k2y n VAL 85 N 4.52 0.41 -0.10 2.92 0.31 0.21 -1.95 118.33 124.65 3k2y n VAL 85 Ca -0.17 -0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 63.76 3k2y n VAL 85 Cb 0.51 -1.84 -0.12 0.00 -0.91 0.00 0.00 33.84 31.48 3k2y n VAL 85 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3k2y n THR 86 N 6.05 1.56 -3.95 2.52 5.66 0.38 0.44 114.28 126.94 3k2y n THR 86 Ca 0.29 -0.53 -0.12 0.00 -3.05 0.00 0.00 64.05 60.64 3k2y n THR 86 Cb 0.28 -1.59 -0.13 0.00 -1.55 0.00 0.00 70.33 67.34 3k2y n THR 86 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3k2y s VAL 87 N -2.52 0.12 -0.01 1.08 1.01 -1.07 -4.78 120.40 114.23 3k2y s VAL 87 Ca -0.33 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3k2y s VAL 87 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3k2y s VAL 87 CO 0.62 -0.10 -0.09 -0.11 0.00 0.00 0.00 175.10 175.41 3k2y n LEU 88 N 2.66 0.98 -3.98 3.92 7.94 -1.26 -1.47 117.00 125.79 3k2y n LEU 88 Ca -0.15 0.15 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 3k2y n LEU 88 Cb 0.58 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 3k2y n LEU 88 CO 0.24 -0.30 -0.25 0.47 -1.11 0.00 0.00 177.39 176.45 3k2y n ASP 89 N -3.57 -0.84 -0.02 1.96 8.00 -1.26 -2.85 116.55 117.97 3k2y n ASP 89 Ca -0.08 -1.06 0.24 0.00 0.71 0.00 0.00 54.79 54.60 3k2y n ASP 89 Cb 0.33 -2.83 0.68 0.00 -0.02 0.00 0.00 41.12 39.28 3k2y n ASP 89 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3k2y h GLN 90 N -1.87 0.00 0.00 -1.24 4.15 -1.94 -1.14 115.11 113.06 3k2y h GLN 90 Ca -0.64 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.78 3k2y h GLN 90 Cb 1.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3k2y h GLN 90 CO 0.61 0.00 -0.14 1.96 -1.93 0.00 0.00 178.83 179.34 3k2y h GLN 91 N 0.00 0.00 -0.13 1.69 1.08 -1.95 -2.84 115.11 112.96 3k2y h GLN 91 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3k2y h GLN 91 Cb 1.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 3k2y h GLN 91 CO -0.00 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.51 3k2y n LYS 92 N -2.92 2.16 -3.79 1.46 5.02 -0.49 -4.94 118.16 114.66 3k2y n LYS 92 Ca 0.04 -1.93 -0.27 0.00 -2.02 0.00 0.00 58.31 54.12 3k2y n LYS 92 Cb 0.52 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 34.13 3k2y n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k2y n GLN 93 N 1.28 -6.12 -2.52 1.97 6.02 -0.90 -4.97 117.38 112.13 3k2y n GLN 93 Ca 0.14 0.67 -0.27 0.00 -0.01 0.00 0.00 57.00 57.54 3k2y n GLN 93 Cb 0.56 -5.57 0.02 0.00 1.02 0.00 0.00 30.24 26.27 3k2y n GLN 93 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3k2y s HIS 94 N -3.36 3.35 -0.30 1.08 2.46 -0.88 -4.86 115.29 112.78 3k2y s HIS 94 Ca 0.53 0.66 -0.15 0.00 0.47 0.00 0.00 55.06 56.58 3k2y s HIS 94 Cb -0.26 -2.56 0.17 0.00 -0.13 0.00 0.00 32.58 29.80 3k2y s HIS 94 CO 0.80 -0.61 1.02 -1.17 -2.47 0.00 0.00 174.74 172.31 3k2y s LEU 95 N -4.87 -0.52 0.12 8.88 0.20 -1.24 -4.40 118.68 116.85 3k2y s LEU 95 Ca 0.51 0.63 0.09 0.00 0.69 0.00 0.00 54.13 56.05 3k2y s LEU 95 Cb -0.10 1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 47.18 3k2y s LEU 95 CO 0.44 -0.10 -0.21 -1.61 -0.29 0.00 0.00 176.35 174.58 3k2y s GLU 96 N 2.50 1.20 0.06 1.98 2.02 -0.54 0.20 118.70 126.11 3k2y s GLU 96 Ca -0.01 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 53.72 3k2y s GLU 96 Cb -0.06 -1.46 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 3k2y s GLU 96 CO -0.16 0.33 -0.02 -0.51 0.02 0.00 0.00 175.26 174.92 3k2y s LEU 97 N -2.09 2.42 -0.30 1.80 1.43 0.65 -0.47 118.68 122.12 3k2y s LEU 97 Ca 0.10 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.12 3k2y s LEU 97 Cb -0.09 0.21 0.03 0.00 0.03 0.00 0.00 46.19 46.36 3k2y s LEU 97 CO 0.05 -0.61 0.05 -0.32 0.23 0.00 0.00 176.35 175.75 3k2y s MET 98 N -3.93 2.82 0.35 1.70 -2.45 -0.82 -0.19 119.30 116.79 3k2y s MET 98 Ca 0.09 -1.02 -0.25 0.00 -1.25 0.00 0.00 55.69 53.26 3k2y s MET 98 Cb 0.08 -3.30 -0.10 0.00 1.25 0.00 0.00 34.83 32.76 3k2y s MET 98 CO -0.09 -0.52 0.95 -0.51 1.05 0.00 0.00 175.02 175.90 3k2y s LEU 99 N 1.41 4.23 0.08 4.11 1.43 0.20 -2.26 118.68 127.87 3k2y s LEU 99 Ca -0.00 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 3k2y s LEU 99 Cb -0.18 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 3k2y s LEU 99 CO 0.01 -0.17 -0.08 0.26 0.23 0.00 0.00 176.35 176.60 3k2y s TRP 100 N -1.76 0.87 -0.09 0.29 0.52 -0.11 -0.75 118.94 117.91 3k2y s TRP 100 Ca 0.54 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.99 3k2y s TRP 100 Cb -0.16 -0.50 -0.03 0.00 -1.15 0.00 0.00 33.47 31.63 3k2y s TRP 100 CO 0.21 -0.07 -0.08 0.50 0.02 0.00 0.00 176.95 177.53 3k2y s ARG 101 N -2.63 2.98 -0.27 4.98 3.52 0.36 -1.89 118.95 125.99 3k2y s ARG 101 Ca 0.02 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.94 3k2y s ARG 101 Cb -0.03 -2.63 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 3k2y s ARG 101 CO -0.01 0.52 0.16 -1.17 -0.81 0.00 0.00 175.30 173.99 3k2y s LEU 102 N -0.43 3.89 -0.34 -0.88 2.96 0.42 -0.68 118.68 123.63 3k2y s LEU 102 Ca 0.06 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3k2y s LEU 102 Cb -0.12 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3k2y s LEU 102 CO 0.02 -0.04 0.16 -1.61 -1.32 0.00 0.00 176.35 173.56 3k2y s GLU 103 N 1.67 2.98 0.00 1.98 2.02 -0.44 -4.43 118.70 122.48 3k2y s GLU 103 Ca 0.07 -0.96 0.27 0.00 0.02 0.00 0.00 54.97 54.37 3k2y s GLU 103 Cb -0.16 -3.59 0.82 0.00 0.10 0.00 0.00 34.13 31.31 3k2y s GLU 103 CO 0.09 -0.58 1.62 0.72 0.02 0.00 0.00 175.26 177.13