#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkp h ASN 13 N 0.00 0.00 -0.02 1.62 2.35 -2.10 -0.82 115.58 116.60 3bkp h ASN 13 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3bkp h ASN 13 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3bkp h ASN 13 CO 0.00 0.00 0.02 0.25 -1.65 0.00 0.00 177.43 176.05 3bkp h LEU 14 N 0.00 0.00 -2.96 1.61 5.85 -2.09 -1.08 115.31 116.64 3bkp h LEU 14 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3bkp h LEU 14 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3bkp h LEU 14 CO -0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88 3bkp n TYR 15 N -3.93 1.04 -1.41 1.25 4.01 -0.32 -4.99 117.16 112.82 3bkp n TYR 15 Ca -0.02 -0.57 -0.55 0.00 -0.16 0.00 0.00 57.90 56.60 3bkp n TYR 15 Cb 0.11 -0.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 3bkp n TYR 15 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3bkp n PHE 16 N 1.04 1.41 1.04 -0.72 7.35 -0.41 -4.87 117.46 122.30 3bkp n PHE 16 Ca 0.22 0.92 0.11 0.00 -0.76 0.00 0.00 57.45 57.94 3bkp n PHE 16 Cb 0.70 -1.82 0.04 0.00 0.35 0.00 0.00 39.48 38.75 3bkp n PHE 16 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3bkp n GLN 17 N 3.36 0.75 -1.68 -4.13 1.13 -1.26 -5.02 117.38 110.52 3bkp n GLN 17 Ca 0.26 -0.59 -0.36 0.00 -1.94 0.00 0.00 57.00 54.37 3bkp n GLN 17 Cb -0.05 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 28.88 3bkp n GLN 17 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3bkp s GLY 18 N -2.66 2.63 0.14 1.08 0.00 -1.26 -4.94 107.32 102.31 3bkp s GLY 18 Ca 0.16 1.03 0.26 0.00 0.00 0.00 0.00 44.72 46.17 3bkp s GLY 18 CO 0.65 1.45 1.64 -1.14 0.00 0.00 0.00 173.10 175.70 3bkp n SER 19 N -2.16 0.66 -4.84 1.64 3.41 -1.26 -4.90 113.62 106.17 3bkp n SER 19 Ca 0.14 0.38 -0.31 0.00 -0.26 0.00 0.00 58.87 58.82 3bkp n SER 19 Cb 0.49 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3bkp n SER 19 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3bkp s THR 20 N -3.10 4.38 -0.13 6.66 -4.23 -1.26 -4.86 115.64 113.10 3bkp s THR 20 Ca 0.10 0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 3bkp s THR 20 Cb 0.14 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.38 3bkp s THR 20 CO 0.63 -0.94 0.09 -0.13 -0.54 0.00 0.00 174.62 173.73 3bkp s ARG 21 N -4.91 0.02 0.00 3.99 1.81 0.76 -4.95 118.95 115.66 3bkp s ARG 21 Ca 0.57 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.68 3bkp s ARG 21 Cb -0.12 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.04 3bkp s ARG 21 CO 0.50 -0.55 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 3bkp n GLY 22 N 5.29 2.84 3.48 -3.53 0.00 -1.26 -4.02 105.19 107.99 3bkp n GLY 22 Ca -0.06 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3bkp n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bkp s LYS 23 N -3.81 0.59 0.01 1.61 2.20 -0.27 -1.68 119.74 118.39 3bkp s LYS 23 Ca 0.00 1.01 0.04 0.00 -0.36 0.00 0.00 55.97 56.66 3bkp s LYS 23 Cb 0.00 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 3bkp s LYS 23 CO 0.00 -0.14 -0.12 0.14 -0.36 0.00 0.00 175.35 174.86 3bkp s VAL 24 N 1.37 0.96 -0.24 4.02 -7.23 -0.25 -1.45 120.40 117.58 3bkp s VAL 24 Ca -0.08 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 3bkp s VAL 24 Cb -0.06 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 3bkp s VAL 24 CO -0.15 0.13 0.06 0.68 -0.31 0.00 0.00 175.10 175.52 3bkp s VAL 25 N -0.54 4.29 -0.35 1.32 -7.23 0.17 -0.16 120.40 117.89 3bkp s VAL 25 Ca 0.03 -0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.84 3bkp s VAL 25 Cb -0.06 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 3bkp s VAL 25 CO 0.00 0.35 0.45 -0.76 -0.31 0.00 0.00 175.10 174.84 3bkp s LEU 26 N 1.51 4.41 -0.78 1.32 1.43 0.03 -1.36 118.68 125.24 3bkp s LEU 26 Ca 0.06 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3bkp s LEU 26 Cb -0.15 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.70 3bkp s LEU 26 CO 0.03 -0.43 0.97 -1.00 0.23 0.00 0.00 176.35 176.15 3bkp s HIS 27 N 2.24 3.04 0.52 0.29 3.76 -0.09 -0.88 115.29 124.16 3bkp s HIS 27 Ca 0.16 -1.14 0.01 0.00 -0.15 0.00 0.00 55.06 53.93 3bkp s HIS 27 Cb -0.16 -4.19 0.02 0.00 1.11 0.00 0.00 32.58 29.36 3bkp s HIS 27 CO 0.13 -1.45 0.74 0.95 -0.85 0.00 0.00 174.74 174.26 3bkp s THR 28 N 2.81 3.16 -0.89 1.30 -4.23 -0.69 0.01 115.64 117.12 3bkp s THR 28 Ca 0.24 -0.59 0.17 0.00 -1.18 0.00 0.00 61.69 60.33 3bkp s THR 28 Cb -0.12 -3.18 0.16 0.00 1.34 0.00 0.00 72.50 70.69 3bkp s THR 28 CO -0.01 -0.13 1.55 -1.54 -0.54 0.00 0.00 174.62 173.95 3bkp n SER 29 N -2.25 0.15 -1.28 3.99 3.41 0.30 -1.31 113.62 116.63 3bkp n SER 29 Ca 0.06 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 3bkp n SER 29 Cb 0.59 -0.57 0.30 0.00 -0.26 0.00 0.00 64.21 64.27 3bkp n SER 29 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bkp n LEU 30 N -1.67 4.20 0.00 1.04 4.77 -1.26 -4.98 117.00 119.10 3bkp n LEU 30 Ca 0.03 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 3bkp n LEU 30 Cb 0.20 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3bkp n LEU 30 CO 0.16 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3bkp n GLY 31 N 0.83 1.37 3.77 -0.72 0.00 -0.43 -4.74 105.19 105.27 3bkp n GLY 31 Ca 0.22 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3bkp n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bkp s ASP 32 N 0.00 7.44 -0.22 1.61 1.01 -1.26 -1.70 116.67 123.55 3bkp s ASP 32 Ca 0.00 1.77 -0.03 0.00 0.71 0.00 0.00 52.55 55.01 3bkp s ASP 32 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 3bkp s ASP 32 CO 0.00 0.12 -0.07 -0.76 0.21 0.00 0.00 175.17 174.67 3bkp s LEU 33 N -1.41 2.89 -0.27 1.23 1.43 -0.06 -4.76 118.68 117.73 3bkp s LEU 33 Ca 0.41 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 3bkp s LEU 33 Cb -0.23 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3bkp s LEU 33 CO 0.27 -0.06 0.50 -1.81 0.23 0.00 0.00 176.35 175.49 3bkp s ASP 34 N 1.40 6.41 -0.29 2.29 1.11 -1.26 -0.79 116.67 125.55 3bkp s ASP 34 Ca 0.04 0.48 -0.07 0.00 0.18 0.00 0.00 52.55 53.18 3bkp s ASP 34 Cb -0.15 -2.27 0.01 0.00 1.07 0.00 0.00 42.92 41.57 3bkp s ASP 34 CO -0.05 -0.29 0.07 -0.69 1.18 0.00 0.00 175.17 175.39 3bkp s VAL 35 N 2.30 3.94 0.10 -1.27 1.01 0.77 -0.76 120.40 126.49 3bkp s VAL 35 Ca 0.21 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3bkp s VAL 35 Cb -0.16 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3bkp s VAL 35 CO 0.09 0.10 0.47 -1.61 0.00 0.00 0.00 175.10 174.16 3bkp s GLU 36 N 1.50 3.90 -0.07 2.72 2.02 -0.32 -1.09 118.70 127.35 3bkp s GLU 36 Ca 0.03 0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.42 3bkp s GLU 36 Cb -0.17 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3bkp s GLU 36 CO 0.02 0.55 -0.13 -0.51 0.02 0.00 0.00 175.26 175.21 3bkp s LEU 37 N -1.77 2.78 -1.36 1.80 1.43 -0.68 -0.81 118.68 120.06 3bkp s LEU 37 Ca 0.33 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 3bkp s LEU 37 Cb -0.15 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.59 3bkp s LEU 37 CO 0.18 0.31 2.19 0.79 0.23 0.00 0.00 176.35 180.05 3bkp n TRP 38 N 2.57 2.89 0.13 0.29 8.01 0.52 -0.17 117.44 131.69 3bkp n TRP 38 Ca -0.17 -2.86 -0.02 0.00 -1.31 0.00 0.00 57.50 53.14 3bkp n TRP 38 Cb 0.52 -2.09 0.19 0.00 -2.01 0.00 0.00 31.31 27.92 3bkp n TRP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3bkp h ALA 39 N 5.42 1.01 -0.32 6.99 0.00 -1.83 0.20 119.26 130.73 3bkp h ALA 39 Ca 0.56 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3bkp h ALA 39 Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bkp h ALA 39 CO 1.66 0.72 -0.49 0.00 0.00 0.00 0.00 179.25 181.13 3bkp h ARG 40 N 0.05 0.90 0.10 0.00 3.08 -1.88 -2.78 114.38 113.85 3bkp h ARG 40 Ca -0.00 -0.54 -0.28 0.00 0.07 0.00 0.00 59.98 59.23 3bkp h ARG 40 Cb 1.03 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3bkp h ARG 40 CO 0.08 1.18 -1.31 0.93 -1.07 0.00 0.00 179.97 179.78 3bkp h GLU 41 N 0.70 0.22 -2.11 0.04 3.07 -1.89 -3.39 114.58 111.22 3bkp h GLU 41 Ca 0.03 -0.37 -0.53 0.00 -0.50 0.00 0.00 59.36 57.99 3bkp h GLU 41 Cb 1.10 0.14 -0.41 0.00 -0.84 0.00 0.00 28.75 28.74 3bkp h GLU 41 CO 0.11 1.13 -0.98 0.00 -1.40 0.00 0.00 179.01 177.88 3bkp h PRO 43 N 3.07 0.56 0.01 0.00 0.13 -1.69 -0.90 132.00 133.19 3bkp h PRO 43 Ca 0.11 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3bkp h PRO 43 Cb 0.79 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3bkp h PRO 43 CO 0.62 0.44 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.75 3bkp h LEU 44 N 0.57 -0.01 -0.55 1.56 3.38 -1.93 0.21 115.31 118.54 3bkp h LEU 44 Ca 0.15 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3bkp h LEU 44 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3bkp h LEU 44 CO -0.02 0.50 0.27 0.00 0.09 0.00 0.00 178.44 179.27 3bkp h ALA 45 N 0.45 0.71 -0.42 1.53 0.00 -1.87 -1.85 119.26 117.82 3bkp h ALA 45 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3bkp h ALA 45 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3bkp h ALA 45 CO 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 179.25 179.25 3bkp h ARG 47 N 0.76 0.68 -0.40 0.00 2.43 -0.81 0.11 114.38 117.15 3bkp h ARG 47 Ca 0.08 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3bkp h ARG 47 Cb 0.86 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3bkp h ARG 47 CO 0.08 0.52 0.11 -0.97 -1.51 0.00 0.00 179.97 178.19 3bkp h ASN 48 N 0.66 0.60 0.06 -3.80 -1.24 -1.30 0.63 115.58 111.19 3bkp h ASN 48 Ca 0.18 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 3bkp h ASN 48 Cb 0.02 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3bkp h ASN 48 CO -0.03 0.67 -0.03 0.15 -1.29 0.00 0.00 177.43 176.90 3bkp h PHE 49 N 0.51 -0.07 -0.39 0.67 3.57 -0.97 -1.48 116.94 118.78 3bkp h PHE 49 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3bkp h PHE 49 Cb 0.29 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3bkp h PHE 49 CO 0.02 0.27 0.17 0.28 -2.23 0.00 0.00 178.31 176.81 3bkp h VAL 50 N -0.42 1.18 -0.90 1.41 2.07 -0.69 -1.01 116.25 117.90 3bkp h VAL 50 Ca -0.01 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3bkp h VAL 50 Cb 0.37 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3bkp h VAL 50 CO 0.01 0.20 0.57 -0.61 0.02 0.00 0.00 177.57 177.76 3bkp h GLN 51 N 0.48 1.03 -0.84 1.57 4.15 -0.75 -0.61 115.11 120.14 3bkp h GLN 51 Ca 0.13 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3bkp h GLN 51 Cb 0.15 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 3bkp h GLN 51 CO -0.01 0.68 0.40 -0.07 -1.93 0.00 0.00 178.83 177.90 3bkp h LEU 52 N 1.06 1.11 -0.68 -2.39 3.38 -0.92 -0.38 115.31 116.48 3bkp h LEU 52 Ca 0.38 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3bkp h LEU 52 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3bkp h LEU 52 CO -0.16 0.93 0.29 0.00 0.09 0.00 0.00 178.44 179.59 3bkp h LEU 54 N 0.97 0.64 -0.28 0.00 3.38 -0.52 -3.14 115.31 116.36 3bkp h LEU 54 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bkp h LEU 54 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3bkp h LEU 54 CO -0.02 0.83 0.00 -0.33 0.09 0.00 0.00 178.44 179.01 3bkp h GLU 55 N 0.57 0.00 0.00 1.13 5.08 -0.79 -3.37 114.58 117.20 3bkp h GLU 55 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bkp h GLU 55 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3bkp h GLU 55 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3bkp n GLY 56 N 0.89 0.64 0.33 -3.84 0.00 -0.75 -3.14 105.19 99.32 3bkp n GLY 56 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.73 3bkp n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bkp h TYR 57 N 0.00 0.94 -0.00 1.61 3.20 -1.60 -2.50 116.97 118.61 3bkp h TYR 57 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3bkp h TYR 57 Cb 0.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3bkp h TYR 57 CO 0.00 0.27 -0.32 0.66 -1.64 0.00 0.00 178.16 177.13 3bkp n TYR 58 N -4.77 0.00 -1.66 -3.82 4.01 -1.26 -4.81 117.16 104.85 3bkp n TYR 58 Ca 0.19 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.46 3bkp n TYR 58 Cb 0.44 -0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 3bkp n TYR 58 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3bkp n VAL 59 N -1.40 0.08 -1.21 -0.72 0.31 -0.95 -1.58 118.33 112.85 3bkp n VAL 59 Ca 0.07 -0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 3bkp n VAL 59 Cb 0.33 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 3bkp n VAL 59 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3bkp n ASN 60 N 3.17 -5.21 -4.77 4.52 3.02 0.24 -5.00 115.26 111.24 3bkp n ASN 60 Ca 0.17 0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 54.51 3bkp n ASN 60 Cb 0.27 -3.35 -0.06 0.00 -0.61 0.00 0.00 39.78 36.03 3bkp n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3bkp s THR 61 N -1.83 4.06 0.65 3.41 -4.23 -0.62 -4.77 115.64 112.31 3bkp s THR 61 Ca 0.00 1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 62.38 3bkp s THR 61 Cb 0.00 -4.13 0.07 0.00 1.34 0.00 0.00 72.50 69.78 3bkp s THR 61 CO 0.00 0.31 0.91 0.27 -0.54 0.00 0.00 174.62 175.57 3bkp s ILE 62 N -1.39 2.40 -0.44 2.99 -4.36 -1.26 -1.06 121.20 118.08 3bkp s ILE 62 Ca 0.46 -0.51 -0.13 0.00 -0.26 0.00 0.00 60.65 60.22 3bkp s ILE 62 Cb -0.23 -2.89 0.07 0.00 1.25 0.00 0.00 42.46 40.66 3bkp s ILE 62 CO 0.29 0.00 0.33 -0.36 0.24 0.00 0.00 174.94 175.44 3bkp s PHE 63 N -3.03 3.29 -1.95 1.37 0.08 0.23 -3.70 117.98 114.27 3bkp s PHE 63 Ca 0.61 -1.19 0.26 0.00 0.12 0.00 0.00 56.93 56.73 3bkp s PHE 63 Cb -0.09 -3.04 0.77 0.00 -0.57 0.00 0.00 43.02 40.08 3bkp s PHE 63 CO 0.42 -0.81 1.57 -2.39 -0.10 0.00 0.00 175.22 173.91 3bkp n HIS 64 N 5.07 0.00 -3.75 0.36 1.44 -0.48 -4.41 115.22 113.45 3bkp n HIS 64 Ca -0.11 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.47 3bkp n HIS 64 Cb 0.43 -0.09 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 3bkp n HIS 64 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3bkp s ARG 65 N -2.39 0.20 -0.07 -1.40 0.52 -1.19 -4.17 118.95 110.45 3bkp s ARG 65 Ca 0.27 0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 55.90 3bkp s ARG 65 Cb 0.20 -0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.64 3bkp s ARG 65 CO 0.48 -0.12 -0.04 0.08 0.02 0.00 0.00 175.30 175.72 3bkp s VAL 66 N 0.88 0.62 -0.26 3.52 1.01 0.04 -0.59 120.40 125.61 3bkp s VAL 66 Ca -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3bkp s VAL 66 Cb -0.08 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3bkp s VAL 66 CO -0.05 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.57 3bkp s VAL 67 N 1.56 1.96 0.32 2.92 1.01 0.52 -4.78 120.40 123.91 3bkp s VAL 67 Ca -0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 3bkp s VAL 67 Cb -0.13 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.99 3bkp s VAL 67 CO -0.04 -0.11 1.53 -0.54 0.00 0.00 0.00 175.10 175.94 3bkp s LYS 68 N 1.18 4.14 -1.47 2.72 -0.14 -1.26 -0.97 119.74 123.94 3bkp s LYS 68 Ca -0.06 2.54 -0.03 0.00 -1.36 0.00 0.00 55.97 57.05 3bkp s LYS 68 Cb -0.20 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 32.96 3bkp s LYS 68 CO -0.06 -0.56 0.32 -0.25 -0.76 0.00 0.00 175.35 174.04 3bkp n ASP 69 N 1.54 -5.23 0.00 2.83 8.00 -1.26 -4.78 116.55 117.65 3bkp n ASP 69 Ca 0.05 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3bkp n ASP 69 Cb 0.38 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 3bkp n ASP 69 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3bkp n PHE 70 N -4.08 0.00 -3.89 1.24 7.35 -0.15 -4.48 117.46 113.45 3bkp n PHE 70 Ca -0.14 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.47 3bkp n PHE 70 Cb 0.62 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.37 3bkp n PHE 70 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3bkp s ILE 71 N 0.00 0.15 0.03 -2.13 -5.25 -0.68 -0.67 121.20 112.65 3bkp s ILE 71 Ca 0.00 -1.24 0.05 0.00 -0.99 0.00 0.00 60.65 58.47 3bkp s ILE 71 Cb 0.00 -1.32 -0.03 0.00 2.95 0.00 0.00 42.46 44.06 3bkp s ILE 71 CO 0.00 -0.68 -0.10 0.68 -1.79 0.00 0.00 174.94 173.04 3bkp s VAL 72 N -3.73 3.36 -0.01 8.37 -7.23 -0.31 -0.36 120.40 120.50 3bkp s VAL 72 Ca 0.04 -0.96 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 3bkp s VAL 72 Cb 0.05 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 3bkp s VAL 72 CO -0.10 0.34 -0.10 -1.58 -0.31 0.00 0.00 175.10 173.35 3bkp s GLN 73 N -1.52 0.81 0.00 4.82 0.74 0.24 -0.74 119.66 124.02 3bkp s GLN 73 Ca 0.17 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.22 3bkp s GLN 73 Cb -0.11 -0.79 0.00 0.00 1.10 0.00 0.00 33.01 33.22 3bkp s GLN 73 CO 0.08 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 3bkp n GLY 74 N 2.84 3.66 1.04 2.59 0.00 -0.35 -1.38 105.19 113.60 3bkp n GLY 74 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3bkp n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bkp n GLY 75 N 0.00 0.71 3.31 -0.02 0.00 -1.24 -1.69 105.19 106.26 3bkp n GLY 75 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3bkp n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bkp s ASP 76 N -2.27 5.53 0.57 1.61 -1.08 -1.26 -4.00 116.67 115.77 3bkp s ASP 76 Ca 0.00 -1.16 0.30 0.00 -0.52 0.00 0.00 52.55 51.17 3bkp s ASP 76 Cb 0.00 -1.95 1.72 0.00 -1.46 0.00 0.00 42.92 41.23 3bkp s ASP 76 CO 0.00 -0.39 2.19 -0.65 0.52 0.00 0.00 175.17 176.84 3bkp h PRO 77 N 8.33 0.00 0.00 4.34 0.11 -1.93 -1.29 132.00 141.57 3bkp h PRO 77 Ca -0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 3bkp h PRO 77 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3bkp h PRO 77 CO 0.65 0.05 -0.19 1.79 -0.21 0.00 0.00 178.00 180.09 3bkp h THR 78 N 0.00 0.47 0.00 -1.15 1.35 -1.96 -3.47 112.91 108.14 3bkp h THR 78 Ca -0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3bkp h THR 78 Cb 0.14 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3bkp h THR 78 CO 0.01 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 3bkp n GLY 79 N 0.16 0.44 0.03 5.82 0.00 -0.49 -4.87 105.19 106.29 3bkp n GLY 79 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3bkp n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bkp n THR 80 N -2.57 0.14 0.00 2.61 -2.24 -1.26 -4.94 114.28 106.02 3bkp n THR 80 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3bkp n THR 80 Cb 0.11 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3bkp n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bkp n GLY 81 N 1.28 2.02 0.37 3.38 0.00 -1.26 -4.88 105.19 106.09 3bkp n GLY 81 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3bkp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bkp n ARG 82 N -2.00 1.29 -0.27 1.61 1.74 -1.26 -4.99 116.66 112.78 3bkp n ARG 82 Ca 0.00 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 3bkp n ARG 82 Cb 0.00 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3bkp n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bkp n GLY 83 N 1.34 0.85 1.07 -0.13 0.00 -1.26 -4.76 105.19 102.29 3bkp n GLY 83 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3bkp n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bkp n GLY 84 N 5.00 0.76 0.13 -0.02 0.00 -1.26 -4.77 105.19 105.02 3bkp n GLY 84 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3bkp n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bkp h ALA 85 N 0.00 1.00 0.00 4.61 0.00 -1.96 0.19 119.26 123.10 3bkp h ALA 85 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 3bkp h ALA 85 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bkp h ALA 85 CO 0.00 0.00 3.09 -0.40 0.00 0.00 0.00 179.25 181.94 3bkp n ASP 86 N -2.42 4.42 -4.66 0.00 5.75 -1.26 -4.59 116.55 113.78 3bkp n ASP 86 Ca 0.05 -2.75 -0.29 0.00 -0.01 0.00 0.00 54.79 51.79 3bkp n ASP 86 Cb 0.42 -1.53 0.18 0.00 -1.03 0.00 0.00 41.12 39.16 3bkp n ASP 86 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3bkp s THR 87 N 3.35 2.00 -0.86 2.12 -4.23 -1.26 -4.81 115.64 111.94 3bkp s THR 87 Ca 0.52 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.23 3bkp s THR 87 Cb 0.15 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.69 3bkp s THR 87 CO -0.05 0.00 1.65 0.35 -0.54 0.00 0.00 174.62 176.03 3bkp n THR 88 N -4.23 0.71 -1.73 3.99 -2.24 -1.26 -1.88 114.28 107.63 3bkp n THR 88 Ca 0.05 0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.65 3bkp n THR 88 Cb 0.57 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3bkp n THR 88 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3bkp n PHE 89 N -1.73 2.06 -3.16 4.78 3.72 -1.26 -4.62 117.46 117.25 3bkp n PHE 89 Ca 0.04 -2.25 -0.23 0.00 -0.05 0.00 0.00 57.45 54.96 3bkp n PHE 89 Cb 0.24 -1.48 0.02 0.00 -0.94 0.00 0.00 39.48 37.33 3bkp n PHE 89 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3bkp n ASP 90 N 0.92 -5.31 -0.17 4.37 8.00 -1.26 -1.67 116.55 121.43 3bkp n ASP 90 Ca 0.53 -0.33 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 3bkp n ASP 90 Cb 0.42 -4.31 -0.01 0.00 -0.02 0.00 0.00 41.12 37.20 3bkp n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bkp n GLY 91 N -1.42 0.51 3.87 0.44 0.00 -0.79 -4.96 105.19 102.83 3bkp n GLY 91 Ca -0.08 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3bkp n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bkp s LYS 92 N -1.29 3.81 1.00 1.61 1.02 -0.67 -4.35 119.74 120.87 3bkp s LYS 92 Ca 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.13 3bkp s LYS 92 Cb 0.00 -2.81 0.19 0.00 -0.52 0.00 0.00 37.83 34.69 3bkp s LYS 92 CO 0.00 0.42 1.08 -2.14 -0.92 0.00 0.00 175.35 173.80 3bkp s PRO 93 N -2.42 0.37 0.22 -1.68 0.02 -1.26 -4.58 135.00 125.68 3bkp s PRO 93 Ca 0.41 1.06 0.03 0.00 0.02 0.00 0.00 61.00 62.52 3bkp s PRO 93 Cb -0.13 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.65 3bkp s PRO 93 CO 0.21 -2.92 0.01 -0.59 -0.33 0.00 0.00 177.00 173.38 3bkp s PHE 94 N -2.67 1.48 0.48 6.54 -0.12 -1.16 -4.96 117.98 117.58 3bkp s PHE 94 Ca 0.66 -0.98 -0.19 0.00 -0.05 0.00 0.00 56.93 56.37 3bkp s PHE 94 Cb -0.22 -0.86 -0.09 0.00 -0.63 0.00 0.00 43.02 41.22 3bkp s PHE 94 CO 0.60 -0.12 0.99 -0.51 -0.05 0.00 0.00 175.22 176.13 3bkp s ASP 95 N -3.28 6.60 0.32 1.98 1.01 -1.26 -3.46 116.67 118.57 3bkp s ASP 95 Ca 0.29 1.74 -0.29 0.00 0.71 0.00 0.00 52.55 55.00 3bkp s ASP 95 Cb 0.06 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 3bkp s ASP 95 CO 0.08 -0.60 1.39 -0.69 0.21 0.00 0.00 175.17 175.56 3bkp s VAL 96 N -2.25 2.55 -0.14 -1.27 1.01 -1.26 -4.89 120.40 114.15 3bkp s VAL 96 Ca 0.63 0.53 0.02 0.00 0.00 0.00 0.00 61.98 63.16 3bkp s VAL 96 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3bkp s VAL 96 CO 0.21 0.11 -0.20 -1.61 0.00 0.00 0.00 175.10 173.62 3bkp s GLU 97 N -1.43 3.10 0.37 2.72 2.02 -1.26 -4.98 118.70 119.24 3bkp s GLU 97 Ca 0.53 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.77 3bkp s GLU 97 Cb -0.42 -2.48 -0.07 0.00 0.10 0.00 0.00 34.13 31.26 3bkp s GLU 97 CO 0.52 0.04 -0.02 0.95 0.02 0.00 0.00 175.26 176.77 3bkp s THR 98 N 0.70 1.97 -0.25 3.63 -4.23 -1.26 -4.23 115.64 111.97 3bkp s THR 98 Ca -0.09 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.16 3bkp s THR 98 Cb -0.16 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 70.93 3bkp s THR 98 CO 0.01 -0.09 0.64 -2.28 -0.54 0.00 0.00 174.62 172.36 3bkp s HIS 99 N -2.76 -0.84 0.56 3.99 5.04 -1.26 -5.00 115.29 115.02 3bkp s HIS 99 Ca 0.34 1.86 0.26 0.00 -1.54 0.00 0.00 55.06 55.98 3bkp s HIS 99 Cb 0.07 0.40 1.50 0.00 0.04 0.00 0.00 32.58 34.59 3bkp s HIS 99 CO 0.17 -0.42 2.05 -1.00 -2.34 0.00 0.00 174.74 173.20 3bkp h PRO 100 N 6.06 0.00 -0.02 2.88 0.13 -2.02 -0.45 132.00 138.58 3bkp h PRO 100 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3bkp h PRO 100 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3bkp h PRO 100 CO 0.14 0.00 -0.22 0.54 -0.23 0.00 0.00 178.00 178.23 3bkp n ARG 101 N -4.08 1.36 -3.68 0.86 1.74 -1.26 -4.73 116.66 106.88 3bkp n ARG 101 Ca 0.05 -0.97 -0.39 0.00 -0.77 0.00 0.00 57.85 55.77 3bkp n ARG 101 Cb 0.43 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 3bkp n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bkp s LEU 102 N -2.30 4.84 0.09 0.55 1.43 -0.18 -5.07 118.68 118.03 3bkp s LEU 102 Ca 0.26 -1.41 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 3bkp s LEU 102 Cb 0.19 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3bkp s LEU 102 CO 0.46 -0.46 -0.11 -0.54 0.23 0.00 0.00 176.35 175.93 3bkp s LYS 103 N 1.39 0.81 -1.51 1.70 -0.14 -1.26 -4.60 119.74 116.12 3bkp s LYS 103 Ca 0.02 -1.07 -0.11 0.00 -1.36 0.00 0.00 55.97 53.44 3bkp s LYS 103 Cb -0.22 -0.58 -0.00 0.00 -1.68 0.00 0.00 37.83 35.35 3bkp s LYS 103 CO 0.02 0.10 2.55 1.19 -0.76 0.00 0.00 175.35 178.45 3bkp n PHE 104 N 0.81 2.92 1.07 3.18 3.72 -1.26 -4.60 117.46 123.29 3bkp n PHE 104 Ca -0.18 -3.01 0.12 0.00 -0.05 0.00 0.00 57.45 54.33 3bkp n PHE 104 Cb 0.57 -2.43 0.17 0.00 -0.94 0.00 0.00 39.48 36.85 3bkp n PHE 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3bkp n ARG 105 N 4.47 0.43 -3.91 -1.08 1.74 -1.26 -1.15 116.66 115.89 3bkp n ARG 105 Ca 0.64 -0.30 -0.08 0.00 -0.77 0.00 0.00 57.85 57.34 3bkp n ARG 105 Cb 0.30 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 3bkp n ARG 105 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3bkp s TYR 106 N -2.77 0.23 0.82 -1.55 2.02 -1.26 -4.55 117.35 110.29 3bkp s TYR 106 Ca 0.15 -0.69 -0.12 0.00 -0.37 0.00 0.00 57.07 56.04 3bkp s TYR 106 Cb 0.18 -0.13 0.09 0.00 -0.40 0.00 0.00 41.96 41.70 3bkp s TYR 106 CO 0.66 -0.51 1.16 -0.98 -1.57 0.00 0.00 175.55 174.31 3bkp s ARG 107 N -3.88 1.64 0.00 -0.62 1.70 -1.26 -3.97 118.95 112.57 3bkp s ARG 107 Ca 0.06 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.88 3bkp s ARG 107 Cb 0.06 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.64 3bkp s ARG 107 CO -0.11 -2.17 0.00 0.41 -1.08 0.00 0.00 175.30 172.35 3bkp n GLY 108 N 0.05 0.48 3.77 3.88 0.00 0.11 -4.90 105.19 108.59 3bkp n GLY 108 Ca 0.12 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3bkp n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bkp s LEU 109 N 0.00 4.28 -0.20 0.99 1.43 -1.25 0.08 118.68 124.00 3bkp s LEU 109 Ca 0.00 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 3bkp s LEU 109 Cb 0.00 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3bkp s LEU 109 CO 0.00 0.23 0.06 -0.69 0.23 0.00 0.00 176.35 176.17 3bkp s VAL 110 N -0.04 4.54 0.20 -1.59 1.01 0.48 -0.95 120.40 124.05 3bkp s VAL 110 Ca 0.13 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.09 3bkp s VAL 110 Cb -0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3bkp s VAL 110 CO 0.02 0.42 -0.19 -0.83 0.00 0.00 0.00 175.10 174.52 3bkp s GLY 111 N 0.80 1.52 0.03 4.51 0.00 0.41 -0.41 107.32 114.18 3bkp s GLY 111 Ca 0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 3bkp s GLY 111 CO 0.02 -1.67 1.06 0.14 0.00 0.00 0.00 173.10 172.65 3bkp s VAL 112 N -2.25 4.56 0.14 1.40 1.01 -0.40 -0.47 120.40 124.39 3bkp s VAL 112 Ca 0.20 1.85 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 3bkp s VAL 112 Cb -0.05 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 3bkp s VAL 112 CO 0.08 0.15 0.53 0.00 0.00 0.00 0.00 175.10 175.87 3bkp s ALA 113 N 0.98 3.59 -0.03 5.51 0.00 -0.63 -4.43 121.76 126.75 3bkp s ALA 113 Ca 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3bkp s ALA 113 Cb -0.24 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.41 3bkp s ALA 113 CO 0.29 0.47 -0.03 0.54 0.00 0.00 0.00 175.76 177.03 3bkp s ASN 114 N -1.76 0.66 0.21 0.00 2.20 -1.26 -3.46 114.94 111.53 3bkp s ASN 114 Ca 0.38 -0.08 -0.08 0.00 -0.94 0.00 0.00 52.86 52.13 3bkp s ASN 114 Cb -0.15 -0.31 0.28 0.00 -2.00 0.00 0.00 41.25 39.07 3bkp s ASN 114 CO 0.19 -0.06 1.79 -0.07 -2.94 0.00 0.00 177.10 176.01 3bkp h LEU 115 N 7.07 0.47 0.00 3.54 3.38 -1.97 -3.46 115.31 124.35 3bkp h LEU 115 Ca -0.39 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3bkp h LEU 115 Cb 1.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3bkp h LEU 115 CO 0.48 0.29 -1.58 0.61 0.09 0.00 0.00 178.44 178.32 3bkp n GLY 132 N -1.29 -0.54 3.60 0.83 0.00 -1.26 -5.13 105.19 101.40 3bkp n GLY 132 Ca 0.09 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3bkp n GLY 132 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bkp s THR 133 N -2.71 3.56 0.21 2.61 -1.32 -1.26 -5.07 115.64 111.65 3bkp s THR 133 Ca -0.05 -1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 59.10 3bkp s THR 133 Cb 0.07 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.35 3bkp s THR 133 CO 0.48 0.23 1.43 0.20 -2.21 0.00 0.00 174.62 174.76 3bkp s ASN 134 N -1.89 6.71 0.00 8.08 0.01 -1.23 -4.61 114.94 122.02 3bkp s ASN 134 Ca 0.20 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 54.91 3bkp s ASN 134 Cb -0.11 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3bkp s ASN 134 CO 0.12 -0.68 0.00 0.61 -1.51 0.00 0.00 177.10 175.63 3bkp n GLY 135 N 2.69 5.15 0.02 0.66 0.00 -1.23 -3.01 105.19 109.48 3bkp n GLY 135 Ca 0.09 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.57 3bkp n GLY 135 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bkp n ASN 136 N 0.00 0.62 -4.78 1.61 3.02 0.65 -4.77 115.26 111.62 3bkp n ASN 136 Ca 0.00 -0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 3bkp n ASN 136 Cb 0.00 0.46 0.04 0.00 -0.61 0.00 0.00 39.78 39.67 3bkp n ASN 136 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3bkp s GLN 137 N -3.10 2.92 0.17 3.52 -0.21 -1.26 -4.78 119.66 116.93 3bkp s GLN 137 Ca 0.07 1.35 0.01 0.00 0.02 0.00 0.00 55.36 56.81 3bkp s GLN 137 Cb 0.15 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 3bkp s GLN 137 CO 0.75 -1.15 0.03 -0.59 -2.12 0.00 0.00 175.29 172.22 3bkp s PHE 138 N -2.36 1.11 0.10 0.91 -0.12 -0.68 -1.61 117.98 115.34 3bkp s PHE 138 Ca 0.66 -1.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3bkp s PHE 138 Cb -0.20 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 3bkp s PHE 138 CO 0.40 -0.35 -0.07 -0.59 -0.05 0.00 0.00 175.22 174.57 3bkp s PHE 139 N -3.82 0.90 -0.05 3.49 -0.12 0.38 -1.21 117.98 117.56 3bkp s PHE 139 Ca 0.26 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 3bkp s PHE 139 Cb 0.07 -0.52 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 3bkp s PHE 139 CO 0.04 -0.13 -0.13 0.42 -0.05 0.00 0.00 175.22 175.37 3bkp s ILE 140 N -3.52 1.16 0.42 -4.49 1.01 0.08 -0.45 121.20 115.41 3bkp s ILE 140 Ca 0.11 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 3bkp s ILE 140 Cb 0.05 -1.03 -0.08 0.00 0.01 0.00 0.00 42.46 41.40 3bkp s ILE 140 CO -0.04 0.35 1.18 0.42 0.00 0.00 0.00 174.94 176.85 3bkp s THR 141 N 0.33 3.07 -1.93 2.92 -4.23 -0.13 -1.16 115.64 114.51 3bkp s THR 141 Ca -0.08 0.88 0.16 0.00 -1.18 0.00 0.00 61.69 61.47 3bkp s THR 141 Cb -0.13 -3.49 0.13 0.00 1.34 0.00 0.00 72.50 70.36 3bkp s THR 141 CO 0.02 0.06 1.00 0.18 -0.54 0.00 0.00 174.62 175.35 3bkp n LEU 142 N -0.06 2.33 -3.77 4.79 4.77 0.15 0.09 117.00 125.29 3bkp n LEU 142 Ca 0.05 -1.03 -0.03 0.00 -0.03 0.00 0.00 56.01 54.97 3bkp n LEU 142 Cb 0.46 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3bkp n LEU 142 CO 0.50 0.42 0.77 0.00 -1.33 0.00 0.00 177.39 177.76 3bkp s ALA 143 N -1.29 -1.68 0.29 -1.18 0.00 -1.25 -4.68 121.76 111.97 3bkp s ALA 143 Ca 0.19 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3bkp s ALA 143 Cb 0.13 0.64 -0.11 0.00 0.00 0.00 0.00 23.12 23.78 3bkp s ALA 143 CO 0.20 -1.05 1.58 0.50 0.00 0.00 0.00 175.76 176.99 3bkp s ARG 144 N -2.97 4.13 -0.39 0.00 3.52 -1.26 -4.08 118.95 117.90 3bkp s ARG 144 Ca 0.14 2.56 0.11 0.00 -0.13 0.00 0.00 55.73 58.41 3bkp s ARG 144 Cb -0.01 -3.03 0.35 0.00 -1.56 0.00 0.00 34.95 30.69 3bkp s ARG 144 CO 0.03 -0.62 0.81 0.00 -0.81 0.00 0.00 175.30 174.71 3bkp n ALA 145 N 2.19 1.47 -0.14 6.12 0.00 -0.30 -4.97 120.51 124.88 3bkp n ALA 145 Ca 0.08 -3.01 0.22 0.00 0.00 0.00 0.00 53.44 50.72 3bkp n ALA 145 Cb 0.38 -0.98 0.63 0.00 0.00 0.00 0.00 19.45 19.48 3bkp n ALA 145 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bkp h ASP 146 N 3.00 0.16 -0.05 0.00 3.32 -1.92 -1.72 116.42 119.21 3bkp h ASP 146 Ca 0.06 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3bkp h ASP 146 Cb 1.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 3bkp h ASP 146 CO 0.43 0.07 0.21 -0.37 -1.72 0.00 0.00 179.24 177.86 3bkp h VAL 147 N 0.17 0.10 0.00 -1.35 -1.51 -1.93 -0.38 116.25 111.34 3bkp h VAL 147 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 3bkp h VAL 147 Cb 1.23 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 3bkp h VAL 147 CO -0.06 0.00 -0.34 0.18 -1.23 0.00 0.00 177.57 176.11 3bkp n LEU 148 N -3.15 0.45 -4.67 4.19 4.77 -0.64 -4.88 117.00 113.07 3bkp n LEU 148 Ca -0.01 0.25 -0.44 0.00 -0.03 0.00 0.00 56.01 55.78 3bkp n LEU 148 Cb 0.29 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3bkp n LEU 148 CO 0.19 0.01 0.91 0.59 -1.33 0.00 0.00 177.39 177.75 3bkp n ASN 149 N -1.74 2.51 0.00 -1.43 3.02 -0.16 -2.88 115.26 114.59 3bkp n ASN 149 Ca 0.05 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 3bkp n ASN 149 Cb 0.37 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 3bkp n ASN 149 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bkp n ASN 150 N 1.54 0.00 0.05 6.41 5.03 -1.26 -4.64 115.26 122.40 3bkp n ASN 150 Ca 0.09 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.61 3bkp n ASN 150 Cb 0.33 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.97 3bkp n ASN 150 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bkp n ALA 151 N 0.12 2.35 -2.73 5.41 0.00 -1.14 -4.92 120.51 119.60 3bkp n ALA 151 Ca 0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.85 3bkp n ALA 151 Cb 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 3bkp n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3bkp s TYR 152 N -3.22 0.89 -0.02 0.00 2.02 -1.18 -5.01 117.35 110.83 3bkp s TYR 152 Ca -0.03 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.04 3bkp s TYR 152 Cb 0.10 -0.54 -0.06 0.00 -0.40 0.00 0.00 41.96 41.07 3bkp s TYR 152 CO 0.82 -0.01 1.54 0.99 -1.57 0.00 0.00 175.55 177.32 3bkp s THR 153 N -0.83 3.55 -0.39 -0.71 2.01 -1.26 -4.86 115.64 113.15 3bkp s THR 153 Ca -0.02 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 3bkp s THR 153 Cb -0.07 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.90 3bkp s THR 153 CO 0.01 -0.03 0.43 -0.22 -0.69 0.00 0.00 174.62 174.11 3bkp s LEU 154 N 3.14 4.68 -0.00 4.42 0.20 -1.26 -1.27 118.68 128.58 3bkp s LEU 154 Ca 0.69 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.05 3bkp s LEU 154 Cb -0.33 -2.40 -0.02 0.00 -0.43 0.00 0.00 46.19 43.01 3bkp s LEU 154 CO 0.28 -0.50 0.07 2.22 -0.29 0.00 0.00 176.35 178.13 3bkp n PHE 155 N 5.56 0.00 -4.01 5.38 1.16 0.45 -4.90 117.46 121.10 3bkp n PHE 155 Ca -0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.37 3bkp n PHE 155 Cb 0.48 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 3bkp n PHE 155 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3bkp s GLY 156 N -1.42 1.20 -0.10 4.97 0.00 -0.97 -0.35 107.32 110.64 3bkp s GLY 156 Ca 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 3bkp s GLY 156 CO 0.08 -0.81 0.25 1.25 0.00 0.00 0.00 173.10 173.87 3bkp s LYS 157 N -2.81 0.23 0.11 2.90 2.20 0.01 -0.38 119.74 121.99 3bkp s LYS 157 Ca 0.26 0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 56.06 3bkp s LYS 157 Cb -0.02 -0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 3bkp s LYS 157 CO 0.18 -0.13 1.25 0.08 -0.36 0.00 0.00 175.35 176.37 3bkp s VAL 158 N 0.99 3.71 0.66 4.02 1.01 0.11 -1.18 120.40 129.73 3bkp s VAL 158 Ca -0.07 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 3bkp s VAL 158 Cb -0.08 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3bkp s VAL 158 CO -0.07 0.13 1.14 0.42 0.00 0.00 0.00 175.10 176.73 3bkp s THR 159 N 0.74 2.94 0.27 3.92 -4.23 0.06 -4.79 115.64 114.56 3bkp s THR 159 Ca 0.58 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 3bkp s THR 159 Cb -0.32 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.75 3bkp s THR 159 CO 0.32 -0.24 1.77 1.23 -0.54 0.00 0.00 174.62 177.16 3bkp h GLY 160 N 0.14 1.50 2.00 3.99 0.00 -1.93 -1.08 103.07 107.69 3bkp h GLY 160 Ca -0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 3bkp h GLY 160 CO 0.53 -0.03 -0.08 0.45 0.00 0.00 0.00 176.54 177.41 3bkp h HIS 161 N 0.69 0.00 -0.06 5.60 3.86 -1.98 -2.70 115.15 120.56 3bkp h HIS 161 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3bkp h HIS 161 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 3bkp h HIS 161 CO -0.06 0.08 0.00 0.25 0.86 0.00 0.00 177.93 179.06 3bkp n THR 162 N -4.08 0.07 0.07 2.45 -2.24 -0.48 -4.54 114.28 105.53 3bkp n THR 162 Ca -0.03 -0.53 0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3bkp n THR 162 Cb 0.17 1.31 0.57 0.00 -2.10 0.00 0.00 70.33 70.28 3bkp n THR 162 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3bkp h LEU 163 N 3.44 0.19 -1.63 3.22 3.38 -1.03 -2.02 115.31 120.86 3bkp h LEU 163 Ca 0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3bkp h LEU 163 Cb 0.74 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3bkp h LEU 163 CO 0.00 0.13 0.33 0.10 0.09 0.00 0.00 178.44 179.09 3bkp h TYR 164 N 0.22 0.46 -0.38 1.13 -0.00 -1.80 -0.85 116.97 115.75 3bkp h TYR 164 Ca 0.15 0.01 -0.16 0.00 0.00 0.00 0.00 58.73 58.73 3bkp h TYR 164 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 36.89 3bkp h TYR 164 CO -0.00 0.25 -0.38 -0.91 -0.00 0.00 0.00 178.16 177.12 3bkp h ASN 165 N 0.47 0.99 -0.55 0.10 2.35 -1.66 -3.12 115.58 114.16 3bkp h ASN 165 Ca 0.21 -0.45 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3bkp h ASN 165 Cb 0.25 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3bkp h ASN 165 CO -0.06 1.25 0.36 0.25 -1.65 0.00 0.00 177.43 177.58 3bkp h LEU 166 N 0.76 0.61 -1.58 1.61 5.85 -1.12 -2.61 115.31 118.83 3bkp h LEU 166 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3bkp h LEU 166 Cb 0.98 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3bkp h LEU 166 CO 0.09 0.44 0.00 0.24 -0.34 0.00 0.00 178.44 178.88 3bkp h MET 167 N 0.73 0.00 -0.15 1.25 2.86 -1.14 0.19 114.93 118.67 3bkp h MET 167 Ca 0.20 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3bkp h MET 167 Cb -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3bkp h MET 167 CO -0.05 0.00 0.10 0.87 1.06 0.00 0.00 176.91 178.89 3bkp h LYS 168 N 0.00 0.14 -0.00 1.72 1.57 -1.46 -1.86 116.57 116.68 3bkp h LYS 168 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3bkp h LYS 168 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3bkp h LYS 168 CO 0.00 0.09 -0.19 0.74 -0.57 0.00 0.00 179.45 179.52 3bkp h PHE 169 N 0.15 0.00 0.00 -1.35 0.04 -1.06 -2.23 116.94 112.49 3bkp h PHE 169 Ca 0.06 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3bkp h PHE 169 Cb 0.07 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3bkp h PHE 169 CO -0.00 0.20 0.00 -0.97 -0.60 0.00 0.00 178.31 176.94 3bkp h ASN 170 N 0.00 0.00 0.02 2.17 -1.24 -1.46 -2.60 115.58 112.48 3bkp h ASN 170 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3bkp h ASN 170 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 3bkp h ASN 170 CO 0.03 0.00 -0.39 0.47 -1.29 0.00 0.00 177.43 176.24 3bkp n ASP 171 N -3.01 1.96 -4.77 1.15 8.00 -0.84 -4.85 116.55 114.19 3bkp n ASP 171 Ca 0.01 -1.47 -0.40 0.00 0.71 0.00 0.00 54.79 53.64 3bkp n ASP 171 Cb 0.29 0.37 0.01 0.00 -0.02 0.00 0.00 41.12 41.77 3bkp n ASP 171 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bkp s LEU 172 N -2.43 4.19 0.16 0.64 1.43 -0.98 -4.99 118.68 116.70 3bkp s LEU 172 Ca 0.21 2.86 -0.31 0.00 -1.03 0.00 0.00 54.13 55.85 3bkp s LEU 172 Cb 0.18 -3.87 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3bkp s LEU 172 CO 0.54 -1.00 1.49 -0.70 0.23 0.00 0.00 176.35 176.90 3bkp s GLU 173 N -2.30 4.26 -0.00 1.70 2.12 -1.26 -4.98 118.70 118.24 3bkp s GLU 173 Ca 0.58 2.25 0.06 0.00 0.36 0.00 0.00 54.97 58.22 3bkp s GLU 173 Cb -0.42 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 3bkp s GLU 173 CO 0.55 -0.52 -0.17 0.08 -0.54 0.00 0.00 175.26 174.66 3bkp s VAL 174 N 0.99 2.81 0.00 3.70 1.01 -1.26 -0.51 120.40 127.13 3bkp s VAL 174 Ca 0.67 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3bkp s VAL 174 Cb -0.41 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 33.84 3bkp s VAL 174 CO 0.32 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.50 3bkp n GLY 175 N 1.96 2.34 3.77 4.51 0.00 0.13 -4.80 105.19 113.09 3bkp n GLY 175 Ca -0.16 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 3bkp n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bkp s LYS 176 N 4.93 3.92 -1.67 1.61 0.00 -1.26 -3.22 119.74 124.05 3bkp s LYS 176 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 55.97 57.89 3bkp s LYS 176 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.21 3bkp s LYS 176 CO 0.00 -0.46 0.00 -1.91 0.00 0.00 0.00 175.35 172.98 3bkp n GLU 177 N -0.09 -1.51 -1.27 1.78 4.07 -1.26 -1.52 120.64 120.84 3bkp n GLU 177 Ca 0.05 0.95 -0.09 0.00 -0.06 0.00 0.00 57.16 58.01 3bkp n GLU 177 Cb 0.46 -5.49 -0.04 0.00 -0.06 0.00 0.00 31.44 26.31 3bkp n GLU 177 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3bkp n ASP 178 N -1.61 -4.55 -4.69 4.31 8.00 -1.20 -4.90 116.55 111.91 3bkp n ASP 178 Ca -0.22 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3bkp n ASP 178 Cb 0.67 -2.86 -0.04 0.00 -0.02 0.00 0.00 41.12 38.87 3bkp n ASP 178 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3bkp s ARG 179 N -2.56 4.39 0.36 -1.24 3.52 -0.58 -0.78 118.95 122.05 3bkp s ARG 179 Ca 0.00 1.09 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 3bkp s ARG 179 Cb 0.00 -3.52 -0.12 0.00 -1.56 0.00 0.00 34.95 29.75 3bkp s ARG 179 CO 0.00 -0.19 1.37 -2.30 -0.81 0.00 0.00 175.30 173.37 3bkp n PRO 180 N 4.66 2.33 -0.34 5.12 -0.02 -1.26 0.19 135.00 145.68 3bkp n PRO 180 Ca 0.04 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.36 3bkp n PRO 180 Cb 0.50 -2.47 0.19 0.00 -0.02 0.00 0.00 33.50 31.70 3bkp n PRO 180 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3bkp h MET 181 N 2.67 1.13 -3.11 -0.52 2.86 -1.11 -3.31 114.93 113.54 3bkp h MET 181 Ca -0.48 -0.07 -0.62 0.00 -2.06 0.00 0.00 59.70 56.47 3bkp h MET 181 Cb 1.27 -0.25 -0.41 0.00 0.06 0.00 0.00 31.60 32.26 3bkp h MET 181 CO 0.63 0.75 -0.65 0.99 1.06 0.00 0.00 176.91 179.68 3bkp s THR 182 N -6.00 2.35 0.09 2.22 2.01 -1.26 -5.06 115.64 110.00 3bkp s THR 182 Ca -0.12 -3.57 -0.33 0.00 0.31 0.00 0.00 61.69 57.98 3bkp s THR 182 Cb 0.19 -2.59 -0.12 0.00 0.01 0.00 0.00 72.50 69.99 3bkp s THR 182 CO 0.81 -0.94 1.73 -2.65 -0.69 0.00 0.00 174.62 172.88 3bkp n PRO 183 N 2.66 2.35 -1.26 4.92 -0.02 -1.25 -4.98 135.00 137.42 3bkp n PRO 183 Ca 0.14 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.18 3bkp n PRO 183 Cb 0.35 -2.68 0.15 0.00 -0.02 0.00 0.00 33.50 31.30 3bkp n PRO 183 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bkp s PRO 184 N 2.21 0.88 0.19 0.52 0.04 -1.26 -4.82 135.00 132.76 3bkp s PRO 184 Ca 0.83 0.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 3bkp s PRO 184 Cb -0.62 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3bkp s PRO 184 CO 0.41 -2.44 0.35 -0.59 0.04 0.00 0.00 177.00 174.77 3bkp s PHE 185 N -3.02 0.38 -0.25 0.56 -0.12 -1.26 -0.60 117.98 113.67 3bkp s PHE 185 Ca 0.64 -0.73 -0.18 0.00 -0.05 0.00 0.00 56.93 56.61 3bkp s PHE 185 Cb -0.17 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3bkp s PHE 185 CO 0.56 -0.81 0.50 0.42 -0.05 0.00 0.00 175.22 175.85 3bkp s ILE 186 N -3.98 5.08 -0.03 -4.49 1.01 -0.22 -0.54 121.20 118.03 3bkp s ILE 186 Ca 0.19 0.87 -0.20 0.00 0.00 0.00 0.00 60.65 61.51 3bkp s ILE 186 Cb 0.02 -3.82 -0.33 0.00 0.01 0.00 0.00 42.46 38.34 3bkp s ILE 186 CO 0.03 0.11 0.91 0.11 0.00 0.00 0.00 174.94 176.10 3bkp h LYS 187 N 7.93 0.38 -2.32 2.79 1.57 -0.74 0.70 116.57 126.88 3bkp h LYS 187 Ca -0.30 -0.64 0.13 0.00 -1.87 0.00 0.00 60.65 57.97 3bkp h LYS 187 Cb 1.14 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 3bkp h LYS 187 CO 0.71 1.31 0.48 -1.54 -0.57 0.00 0.00 179.45 179.84 3bkp s SER 188 N -7.17 -0.31 -0.05 0.86 1.04 -1.16 -4.45 113.70 102.46 3bkp s SER 188 Ca -0.12 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.18 3bkp s SER 188 Cb 0.02 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3bkp s SER 188 CO 0.87 -0.73 -0.06 -0.69 0.98 0.00 0.00 173.24 173.61 3bkp s VAL 189 N -3.19 0.67 -0.14 5.02 1.01 -1.26 -0.91 120.40 121.59 3bkp s VAL 189 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3bkp s VAL 189 Cb -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3bkp s VAL 189 CO -0.05 0.26 -0.15 -1.81 0.00 0.00 0.00 175.10 173.35 3bkp s ASP 190 N 1.00 3.78 -0.85 3.32 1.01 -0.46 -4.98 116.67 119.49 3bkp s ASP 190 Ca -0.09 -0.42 -0.20 0.00 0.71 0.00 0.00 52.55 52.55 3bkp s ASP 190 Cb -0.14 -1.58 0.11 0.00 1.01 0.00 0.00 42.92 42.32 3bkp s ASP 190 CO -0.00 0.12 1.07 -0.69 0.21 0.00 0.00 175.17 175.87 3bkp s VAL 191 N 0.62 4.64 0.22 -1.27 1.01 -1.26 -0.66 120.40 123.69 3bkp s VAL 191 Ca -0.08 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 3bkp s VAL 191 Cb -0.16 -4.74 0.10 0.00 0.00 0.00 0.00 36.38 31.58 3bkp s VAL 191 CO 0.03 -1.48 1.71 -0.07 0.00 0.00 0.00 175.10 175.29 3bkp h LEU 192 N 10.62 0.97 -6.88 3.92 3.38 -1.67 -3.41 115.31 122.23 3bkp h LEU 192 Ca 0.03 -0.24 -0.41 0.00 0.09 0.00 0.00 57.88 57.35 3bkp h LEU 192 Cb 1.04 -0.26 -0.38 0.00 0.09 0.00 0.00 40.66 41.15 3bkp h LEU 192 CO 1.13 0.99 -0.70 0.86 0.09 0.00 0.00 178.44 180.80 3bkp s TRP 193 N -5.11 -0.01 -0.32 1.13 -0.00 -0.53 -4.95 118.94 109.15 3bkp s TRP 193 Ca -0.11 -0.18 -0.19 0.00 -0.00 0.00 0.00 56.10 55.62 3bkp s TRP 193 Cb 0.14 -0.58 -0.01 0.00 -0.00 0.00 0.00 33.47 33.02 3bkp s TRP 193 CO 0.84 -0.62 0.56 1.21 -0.00 0.00 0.00 176.95 178.94 3bkp s ASN 194 N 2.22 6.40 0.00 5.86 3.84 -1.26 -1.12 114.94 130.88 3bkp s ASN 194 Ca 0.05 0.24 0.13 0.00 0.21 0.00 0.00 52.86 53.50 3bkp s ASN 194 Cb -0.16 -2.29 0.51 0.00 -0.55 0.00 0.00 41.25 38.76 3bkp s ASN 194 CO -0.16 -0.45 1.37 -0.81 -2.79 0.00 0.00 177.10 174.27 3bkp n PRO 195 N 5.77 1.51 -3.92 0.43 -0.04 -1.26 -4.66 135.00 132.83 3bkp n PRO 195 Ca -0.03 -0.79 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 3bkp n PRO 195 Cb 0.49 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 3bkp n PRO 195 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3bkp s PHE 196 N -1.77 3.55 0.48 0.54 0.08 -1.26 -4.99 117.98 114.61 3bkp s PHE 196 Ca 0.23 -2.90 0.31 0.00 0.12 0.00 0.00 56.93 54.69 3bkp s PHE 196 Cb 0.12 -2.99 1.70 0.00 -0.57 0.00 0.00 43.02 41.28 3bkp s PHE 196 CO 0.17 -0.89 2.16 1.05 -0.10 0.00 0.00 175.22 177.61 3bkp h GLU 197 N 7.35 0.00 -0.70 0.44 4.11 -2.05 -2.99 114.58 120.74 3bkp h GLU 197 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3bkp h GLU 197 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3bkp h GLU 197 CO 0.62 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 3bkp n ASP 198 N -3.55 4.30 -4.70 3.06 5.75 -1.26 -4.96 116.55 115.18 3bkp n ASP 198 Ca -0.02 -2.18 -0.41 0.00 -0.01 0.00 0.00 54.79 52.17 3bkp n ASP 198 Cb 0.18 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 3bkp n ASP 198 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3bkp s LEU 199 N -1.34 4.30 -0.17 -2.12 0.20 -1.13 -5.02 118.68 113.40 3bkp s LEU 199 Ca 0.50 1.32 0.01 0.00 0.69 0.00 0.00 54.13 56.64 3bkp s LEU 199 Cb 0.29 -3.26 0.02 0.00 -0.43 0.00 0.00 46.19 42.81 3bkp s LEU 199 CO 0.30 -0.23 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.27 3bkp s VAL 200 N 1.20 1.84 0.42 1.68 1.01 -1.26 -5.09 120.40 120.19 3bkp s VAL 200 Ca 0.42 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 3bkp s VAL 200 Cb -0.18 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 3bkp s VAL 200 CO 0.19 0.47 1.31 -2.16 0.00 0.00 0.00 175.10 174.92 3bkp s PRO 201 N 1.37 3.90 0.18 2.72 0.04 -1.26 -4.90 135.00 137.04 3bkp s PRO 201 Ca 0.04 2.16 0.23 0.00 0.04 0.00 0.00 61.00 63.48 3bkp s PRO 201 Cb -0.13 -2.71 0.90 0.00 0.04 0.00 0.00 34.50 32.60 3bkp s PRO 201 CO -0.12 -0.55 1.72 0.54 0.04 0.00 0.00 177.00 178.62 3bkp n ARG 202 N 0.02 0.16 -3.79 4.56 1.74 -1.26 -4.88 116.66 113.21 3bkp n ARG 202 Ca 0.04 0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 57.37 3bkp n ARG 202 Cb 0.44 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3bkp n ARG 202 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3bkp s ARG 203 N -3.17 1.41 0.21 5.56 1.70 -1.26 -5.17 118.95 118.24 3bkp s ARG 203 Ca 0.08 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.61 3bkp s ARG 203 Cb 0.11 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3bkp s ARG 203 CO 0.45 -0.65 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.40 3bkp s LEU 204 N -2.96 2.50 0.55 -1.89 1.43 -1.26 -4.22 118.68 112.84 3bkp s LEU 204 Ca 0.12 -1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 3bkp s LEU 204 Cb -0.03 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 3bkp s LEU 204 CO 0.04 -0.26 1.31 -2.84 0.23 0.00 0.00 176.35 174.83 3bkp s PRO 205 N -3.70 3.16 0.00 1.29 0.02 -1.19 -4.76 135.00 129.83 3bkp s PRO 205 Ca 0.24 2.10 0.32 0.00 0.02 0.00 0.00 61.00 63.68 3bkp s PRO 205 Cb 0.01 -2.20 1.86 0.00 0.02 0.00 0.00 34.50 34.19 3bkp s PRO 205 CO 0.07 -1.13 2.20 -0.25 -0.33 0.00 0.00 177.00 177.56