#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 n TYR 2 N 0.00 0.53 -3.20 2.03 4.19 -1.26 -5.04 117.16 114.42 2k87 n TYR 2 Ca 0.00 -3.76 -0.46 0.00 3.31 0.00 0.00 57.90 56.99 2k87 n TYR 2 Cb 0.00 -0.41 -0.02 0.00 0.49 0.00 0.00 39.34 39.40 2k87 n TYR 2 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 2k87 s THR 3 N -2.11 5.34 -1.17 2.97 -4.23 -1.26 -4.98 115.64 110.20 2k87 s THR 3 Ca 0.39 -2.21 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 2k87 s THR 3 Cb 0.26 -4.57 0.09 0.00 1.34 0.00 0.00 72.50 69.61 2k87 s THR 3 CO -0.09 -1.19 1.55 -0.70 -0.54 0.00 0.00 174.62 173.65 2k87 s GLU 4 N 0.94 3.86 0.22 3.99 2.12 -1.26 -4.99 118.70 123.57 2k87 s GLU 4 Ca 0.23 -1.82 -0.08 0.00 0.36 0.00 0.00 54.97 53.66 2k87 s GLU 4 Cb -0.08 -5.35 -0.07 0.00 0.26 0.00 0.00 34.13 28.89 2k87 s GLU 4 CO -0.09 -2.12 0.52 1.14 -0.54 0.00 0.00 175.26 174.16 2k87 s GLN 5 N 3.87 3.74 0.43 4.30 -2.07 -1.26 -5.07 119.66 123.60 2k87 s GLN 5 Ca 0.48 0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 54.02 2k87 s GLN 5 Cb 0.01 -2.69 -0.08 0.00 -1.09 0.00 0.00 33.01 29.16 2k87 s GLN 5 CO 0.00 0.33 0.87 -1.25 -1.32 0.00 0.00 175.29 173.91 2k87 s PRO 6 N -2.91 3.96 -1.38 9.60 0.04 -1.26 -4.90 135.00 138.15 2k87 s PRO 6 Ca 0.46 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.19 2k87 s PRO 6 Cb -0.11 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 2k87 s PRO 6 CO 0.23 -0.07 3.04 -0.89 0.04 0.00 0.00 177.00 179.35 2k87 n ILE 7 N -1.07 4.09 -2.63 0.56 5.41 -1.26 -3.97 119.36 120.50 2k87 n ILE 7 Ca 0.05 -2.40 -0.15 0.00 1.00 0.00 0.00 62.75 61.25 2k87 n ILE 7 Cb 0.54 -2.52 -0.00 0.00 -0.71 0.00 0.00 39.64 36.95 2k87 n ILE 7 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2k87 n ASP 8 N 3.44 -4.12 -4.72 4.38 -0.08 -1.26 -4.62 116.55 109.57 2k87 n ASP 8 Ca 0.73 0.06 -0.41 0.00 -1.51 0.00 0.00 54.79 53.66 2k87 n ASP 8 Cb 0.32 -3.47 -0.04 0.00 2.34 0.00 0.00 41.12 40.28 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2k87 s LEU 9 N -5.85 4.36 -0.07 -2.67 0.20 -1.25 -2.95 118.68 110.44 2k87 s LEU 9 Ca 0.08 1.47 -0.04 0.00 0.69 0.00 0.00 54.13 56.33 2k87 s LEU 9 Cb -0.04 -3.36 0.03 0.00 -0.43 0.00 0.00 46.19 42.38 2k87 s LEU 9 CO 0.10 -0.18 0.16 0.68 -0.29 0.00 0.00 176.35 176.82 2k87 s VAL 10 N 0.83 -0.02 0.30 1.68 -7.23 -0.37 -4.91 120.40 110.69 2k87 s VAL 10 Ca 0.45 0.09 -0.27 0.00 -1.81 0.00 0.00 61.98 60.44 2k87 s VAL 10 Cb -0.20 -0.24 -0.10 0.00 0.56 0.00 0.00 36.38 36.40 2k87 s VAL 10 CO 0.24 0.04 0.95 -2.16 -0.31 0.00 0.00 175.10 173.85 2k87 s PRO 11 N 0.65 4.65 0.00 4.82 0.04 -1.26 -0.95 135.00 142.95 2k87 s PRO 11 Ca -0.05 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2k87 s PRO 11 Cb -0.06 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2k87 s PRO 11 CO -0.03 0.34 0.00 -2.37 0.04 0.00 0.00 177.00 174.98 2k87 n THR 12 N 0.82 0.00 -4.48 1.26 5.66 -1.02 -4.91 114.28 111.62 2k87 n THR 12 Ca 0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.77 2k87 n THR 12 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 2k87 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k87 s GLN 13 N 1.29 1.67 1.02 1.09 -2.07 -1.26 -4.56 119.66 116.84 2k87 s GLN 13 Ca 0.00 -1.81 -0.16 0.00 -1.82 0.00 0.00 55.36 51.57 2k87 s GLN 13 Cb 0.00 -1.55 0.20 0.00 -1.09 0.00 0.00 33.01 30.57 2k87 s GLN 13 CO 0.00 0.19 1.20 -1.25 -1.32 0.00 0.00 175.29 174.11 2k87 s PRO 14 N -3.60 0.26 0.91 9.60 0.04 -1.26 -4.87 135.00 136.07 2k87 s PRO 14 Ca 0.30 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.14 2k87 s PRO 14 Cb -0.00 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.90 2k87 s PRO 14 CO 0.14 -2.72 1.10 -0.51 0.04 0.00 0.00 177.00 175.04 2k87 s LEU 15 N -6.25 2.13 0.00 -3.56 1.43 -1.24 -4.93 118.68 106.27 2k87 s LEU 15 Ca 0.70 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2k87 s LEU 15 Cb -0.09 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2k87 s LEU 15 CO 0.54 -2.65 0.00 -0.81 0.23 0.00 0.00 176.35 173.66 2k87 n PRO 16 N -3.88 2.76 0.00 1.29 -0.04 -1.26 -4.70 135.00 129.18 2k87 n PRO 16 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k87 n PRO 16 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2k87 n PRO 16 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2k87 n ASN 17 N 0.00 0.00 -4.70 3.54 6.94 -1.26 -4.80 115.26 114.98 2k87 n ASN 17 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.27 2k87 n ASN 17 Cb 0.00 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 37.57 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k87 s ALA 18 N 0.00 1.62 -0.01 -2.53 0.00 -1.26 -4.65 121.76 114.93 2k87 s ALA 18 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 2k87 s ALA 18 Cb 0.00 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.15 2k87 s ALA 18 CO 0.00 -2.43 0.55 -1.12 0.00 0.00 0.00 175.76 172.76 2k87 s SER 19 N -3.99 -0.50 0.63 0.00 0.01 -0.98 -4.97 113.70 103.91 2k87 s SER 19 Ca 0.65 0.42 -0.18 0.00 1.31 0.00 0.00 55.95 58.15 2k87 s SER 19 Cb -0.15 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 2k87 s SER 19 CO 0.54 -0.61 1.07 0.33 0.41 0.00 0.00 173.24 174.98 2k87 n PHE 20 N 0.83 1.15 -4.10 2.43 7.35 -1.26 -3.53 117.46 120.33 2k87 n PHE 20 Ca -0.19 0.42 -0.13 0.00 -0.76 0.00 0.00 57.45 56.79 2k87 n PHE 20 Cb 0.58 -2.17 -0.06 0.00 0.35 0.00 0.00 39.48 38.18 2k87 n PHE 20 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k87 s ASP 21 N -1.34 0.62 0.00 -2.13 -1.08 -1.26 -4.97 116.67 106.52 2k87 s ASP 21 Ca 0.79 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 2k87 s ASP 21 Cb -0.40 0.60 0.02 0.00 -1.46 0.00 0.00 42.92 41.68 2k87 s ASP 21 CO 0.44 -1.18 0.20 0.59 0.52 0.00 0.00 175.17 175.75 2k87 n ASN 22 N -1.01 0.00 -4.72 -0.34 4.13 -1.26 -4.79 115.26 107.26 2k87 n ASN 22 Ca 0.01 -0.05 -0.32 0.00 1.68 0.00 0.00 54.58 55.89 2k87 n ASN 22 Cb 0.62 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.97 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2k87 s PHE 23 N -2.00 2.11 0.27 3.10 -0.71 -1.26 -0.67 117.98 118.82 2k87 s PHE 23 Ca 0.01 1.65 0.11 0.00 -1.04 0.00 0.00 56.93 57.65 2k87 s PHE 23 Cb 0.00 -3.30 -0.05 0.00 -1.21 0.00 0.00 43.02 38.47 2k87 s PHE 23 CO 0.00 -2.36 -0.16 0.21 -1.34 0.00 0.00 175.22 171.57 2k87 s LYS 24 N -4.39 1.80 -0.20 1.99 2.20 0.54 -4.85 119.74 116.83 2k87 s LYS 24 Ca 0.68 -1.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.63 2k87 s LYS 24 Cb -0.23 -1.86 0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2k87 s LYS 24 CO 0.51 0.34 -0.14 -0.48 -0.36 0.00 0.00 175.35 175.22 2k87 s LEU 25 N -3.47 2.40 0.80 5.43 0.05 -1.26 -0.87 118.68 121.75 2k87 s LEU 25 Ca 0.30 -0.87 -0.10 0.00 0.05 0.00 0.00 54.13 53.50 2k87 s LEU 25 Cb -0.06 -1.37 0.10 0.00 -2.05 0.00 0.00 46.19 42.81 2k87 s LEU 25 CO 0.16 -0.10 1.14 0.42 -0.55 0.00 0.00 176.35 177.42 2k87 s THR 26 N 1.31 2.11 0.16 5.48 -4.23 0.65 -4.77 115.64 116.36 2k87 s THR 26 Ca -0.00 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.14 2k87 s THR 26 Cb -0.16 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.78 2k87 s THR 26 CO -0.09 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.63 2k87 h SER 28 N 2.00 0.00 -3.56 0.00 0.02 -2.00 -3.37 113.55 106.64 2k87 h SER 28 Ca -0.31 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.03 2k87 h SER 28 Cb 1.30 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.71 2k87 h SER 28 CO 0.35 0.28 -0.00 0.21 -1.14 0.00 0.00 176.83 176.53 2k87 s ASN 29 N -6.74 6.46 0.02 3.07 3.84 -1.26 -5.00 114.94 115.32 2k87 s ASN 29 Ca -0.03 0.55 -0.06 0.00 0.21 0.00 0.00 52.86 53.53 2k87 s ASN 29 Cb 0.14 -2.29 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 2k87 s ASN 29 CO 0.69 -0.28 1.10 0.71 -2.79 0.00 0.00 177.10 176.52 2k87 h THR 30 N 5.37 0.00 -0.93 -5.21 1.35 -1.93 -2.71 112.91 108.85 2k87 h THR 30 Ca -0.29 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.71 2k87 h THR 30 Cb 1.14 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.47 2k87 h THR 30 CO 0.72 0.00 0.54 0.50 -0.25 0.00 0.00 175.52 177.03 2k87 h LYS 31 N -0.13 0.76 0.16 4.72 1.63 -1.94 -0.40 116.57 121.35 2k87 h LYS 31 Ca -0.00 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2k87 h LYS 31 Cb 0.13 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 2k87 h LYS 31 CO -0.05 0.50 -0.33 0.35 -3.45 0.00 0.00 179.45 176.47 2k87 h PHE 32 N 0.78 -0.89 -0.76 1.91 3.57 -1.74 0.30 116.94 120.10 2k87 h PHE 32 Ca 0.50 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 2k87 h PHE 32 Cb 0.65 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 2k87 h PHE 32 CO -0.04 -0.44 0.44 0.00 -2.23 0.00 0.00 178.31 176.04 2k87 h ALA 33 N 0.04 1.33 0.00 2.41 0.00 -1.06 -2.21 119.26 119.77 2k87 h ALA 33 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2k87 h ALA 33 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k87 h ALA 33 CO -0.17 0.56 -0.57 0.22 0.00 0.00 0.00 179.25 179.29 2k87 h ASP 34 N 1.06 0.00 0.35 0.00 3.58 -0.37 0.45 116.42 121.50 2k87 h ASP 34 Ca 0.27 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.43 2k87 h ASP 34 Cb -0.01 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 2k87 h ASP 34 CO -0.05 0.46 -1.29 0.44 -2.88 0.00 0.00 179.24 175.92 2k87 h ASP 35 N 0.00 0.69 -0.15 2.28 3.32 -0.38 -2.89 116.42 119.30 2k87 h ASP 35 Ca -0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 57.03 56.31 2k87 h ASP 35 Cb 1.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2k87 h ASP 35 CO 0.06 1.52 0.00 -0.07 -1.72 0.00 0.00 179.24 179.03 2k87 h LEU 36 N 0.17 0.26 -1.88 1.55 3.38 -1.28 -2.00 115.31 115.50 2k87 h LEU 36 Ca -0.18 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2k87 h LEU 36 Cb 1.98 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 2k87 h LEU 36 CO 0.23 0.50 -0.12 0.78 0.09 0.00 0.00 178.44 179.92 2k87 h ASN 37 N 0.02 0.00 0.76 -0.43 2.35 -1.03 -0.84 115.58 116.41 2k87 h ASN 37 Ca 0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 2k87 h ASN 37 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2k87 h ASN 37 CO 0.01 0.12 -0.57 1.56 -1.65 0.00 0.00 177.43 176.90 2k87 h GLN 38 N 0.00 0.00 -0.06 0.81 1.08 -1.26 -1.46 115.11 114.23 2k87 h GLN 38 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2k87 h GLN 38 Cb 0.34 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2k87 h GLN 38 CO 0.02 0.57 -0.44 0.52 -0.95 0.00 0.00 178.83 178.55 2k87 h MET 39 N 0.00 0.40 -0.40 1.46 2.86 -0.42 -3.31 114.93 115.53 2k87 h MET 39 Ca -0.01 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.20 2k87 h MET 39 Cb 1.10 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 2k87 h MET 39 CO 0.07 1.00 -0.08 1.79 1.06 0.00 0.00 176.91 180.75 2k87 h THR 40 N -0.08 1.24 -0.10 2.22 1.35 -1.50 -3.47 112.91 112.57 2k87 h THR 40 Ca -0.04 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2k87 h THR 40 Cb 1.11 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2k87 h THR 40 CO 0.09 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2k87 n GLY 41 N -0.57 1.26 3.71 5.82 0.00 -1.05 -4.99 105.19 109.38 2k87 n GLY 41 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 2k87 n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k87 n PHE 42 N -1.87 2.63 -4.36 1.61 7.35 -0.58 -5.02 117.46 117.23 2k87 n PHE 42 Ca 0.00 0.23 -0.18 0.00 -0.76 0.00 0.00 57.45 56.73 2k87 n PHE 42 Cb 0.20 -2.59 -0.15 0.00 0.35 0.00 0.00 39.48 37.29 2k87 n PHE 42 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2k87 s THR 43 N 0.44 0.72 0.82 -2.13 2.01 -1.26 -4.92 115.64 111.33 2k87 s THR 43 Ca 0.70 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2k87 s THR 43 Cb -0.55 -0.61 0.08 0.00 0.01 0.00 0.00 72.50 71.43 2k87 s THR 43 CO 0.43 0.17 1.10 -0.54 -0.69 0.00 0.00 174.62 175.08 2k87 s LYS 44 N -0.30 1.88 0.13 4.92 1.02 -1.26 -4.14 119.74 121.98 2k87 s LYS 44 Ca 0.03 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 2k87 s LYS 44 Cb -0.04 -1.89 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 2k87 s LYS 44 CO -0.00 -1.77 1.19 -1.25 -0.92 0.00 0.00 175.35 172.60 2k87 s PRO 45 N -5.12 4.48 0.49 -1.68 0.04 -1.26 -5.10 135.00 126.85 2k87 s PRO 45 Ca 0.61 1.81 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 2k87 s PRO 45 Cb -0.15 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 2k87 s PRO 45 CO 0.55 -0.15 1.26 0.00 0.04 0.00 0.00 177.00 178.70 2k87 s ALA 46 N 0.45 2.94 0.07 8.56 0.00 -1.26 -4.93 121.76 127.59 2k87 s ALA 46 Ca 0.55 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 2k87 s ALA 46 Cb -0.31 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 2k87 s ALA 46 CO 0.33 -0.98 1.49 1.03 0.00 0.00 0.00 175.76 177.63 2k87 h SER 47 N 1.86 0.38 -5.16 0.00 0.87 -1.22 -3.46 113.55 106.80 2k87 h SER 47 Ca -0.50 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 59.64 2k87 h SER 47 Cb 1.27 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 2k87 h SER 47 CO 0.59 0.61 -0.39 0.00 -0.53 0.00 0.00 176.83 177.12 2k87 s ARG 48 N -4.90 0.83 -0.44 2.24 1.04 -1.26 -4.97 118.95 111.48 2k87 s ARG 48 Ca -0.14 -0.98 0.02 0.00 -1.04 0.00 0.00 55.73 53.60 2k87 s ARG 48 Cb 0.07 0.33 0.14 0.00 -2.04 0.00 0.00 34.95 33.45 2k87 s ARG 48 CO 0.74 -0.26 0.27 -1.21 -0.04 0.00 0.00 175.30 174.80 2k87 s GLU 49 N -3.87 1.21 1.23 3.89 8.01 -1.26 -0.34 118.70 127.57 2k87 s GLU 49 Ca 0.05 -2.01 -0.21 0.00 0.01 0.00 0.00 54.97 52.81 2k87 s GLU 49 Cb 0.05 -2.15 0.30 0.00 -4.31 0.00 0.00 34.13 28.03 2k87 s GLU 49 CO -0.11 -1.21 1.08 1.28 0.01 0.00 0.00 175.26 176.32 2k87 n LEU 50 N 3.42 0.00 -3.80 1.80 4.77 -0.05 -4.73 117.00 118.41 2k87 n LEU 50 Ca 0.12 -1.15 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 2k87 n LEU 50 Cb 0.36 -1.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.33 2k87 n LEU 50 CO 0.21 -2.17 -0.16 -0.44 -1.33 0.00 0.00 177.39 173.50 2k87 s SER 51 N -4.40 -0.19 0.41 -1.43 0.01 -1.25 -0.25 113.70 106.60 2k87 s SER 51 Ca 0.70 0.38 0.02 0.00 1.31 0.00 0.00 55.95 58.36 2k87 s SER 51 Cb -0.07 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 2k87 s SER 51 CO 0.54 -0.08 0.61 -0.69 0.41 0.00 0.00 173.24 174.03 2k87 s VAL 52 N 0.28 4.17 -0.01 3.43 1.01 -0.58 -0.84 120.40 127.87 2k87 s VAL 52 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2k87 s VAL 52 Cb -0.03 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2k87 s VAL 52 CO -0.01 -0.33 0.06 0.42 0.00 0.00 0.00 175.10 175.24 2k87 s THR 53 N -2.45 0.05 -0.31 3.92 -4.23 -0.56 -4.26 115.64 107.81 2k87 s THR 53 Ca 0.46 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 2k87 s THR 53 Cb -0.10 -0.23 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 2k87 s THR 53 CO 0.36 -0.23 0.24 -0.36 -0.54 0.00 0.00 174.62 174.10 2k87 s PHE 54 N -0.71 3.22 0.72 3.99 0.08 -1.26 -0.10 117.98 123.93 2k87 s PHE 54 Ca -0.08 0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2k87 s PHE 54 Cb -0.05 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 2k87 s PHE 54 CO 0.00 -0.26 0.62 0.34 -0.10 0.00 0.00 175.22 175.82 2k87 n PHE 55 N 5.14 -0.47 -2.46 0.36 7.35 -0.88 -3.39 117.46 123.10 2k87 n PHE 55 Ca -0.12 0.36 -0.39 0.00 -0.76 0.00 0.00 57.45 56.53 2k87 n PHE 55 Cb 0.51 -1.95 -0.03 0.00 0.35 0.00 0.00 39.48 38.35 2k87 n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2k87 s PRO 56 N -2.86 3.24 -0.29 -7.13 0.04 -1.26 -5.03 135.00 121.71 2k87 s PRO 56 Ca 0.67 -0.53 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 2k87 s PRO 56 Cb -0.35 -4.77 0.11 0.00 0.04 0.00 0.00 34.50 29.53 2k87 s PRO 56 CO 0.56 -2.34 0.77 0.34 0.04 0.00 0.00 177.00 176.37 2k87 s ASP 57 N 5.05 -0.86 0.00 6.66 -1.08 -1.22 -5.07 116.67 120.15 2k87 s ASP 57 Ca 0.46 1.31 0.07 0.00 -0.52 0.00 0.00 52.55 53.87 2k87 s ASP 57 Cb -0.05 1.55 0.11 0.00 -1.46 0.00 0.00 42.92 43.08 2k87 s ASP 57 CO 0.04 -0.20 0.96 0.00 0.52 0.00 0.00 175.17 176.48 2k87 n LEU 58 N 4.46 0.16 0.15 -1.34 -0.00 -1.26 -4.01 117.00 115.15 2k87 n LEU 58 Ca -0.17 -1.37 0.01 0.00 -0.00 0.00 0.00 56.01 54.48 2k87 n LEU 58 Cb 0.56 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.19 2k87 n LEU 58 CO -0.02 0.58 0.54 0.78 -0.00 0.00 0.00 177.39 179.27 2k87 h ASN 59 N 0.26 0.00 -4.26 1.45 2.35 -1.94 -3.45 115.58 110.00 2k87 h ASN 59 Ca -0.12 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.12 2k87 h ASN 59 Cb 1.46 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.99 2k87 h ASN 59 CO -0.00 0.56 0.27 -0.83 -1.65 0.00 0.00 177.43 175.78 2k87 s GLY 60 N -4.44 1.67 0.37 2.83 0.00 -1.26 -4.93 107.32 101.56 2k87 s GLY 60 Ca -0.01 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.12 2k87 s GLY 60 CO 0.74 0.74 2.00 -0.55 0.00 0.00 0.00 173.10 176.04 2k87 h ASP 61 N -1.46 0.64 -2.42 1.64 5.19 -1.56 -3.43 116.42 115.02 2k87 h ASP 61 Ca -0.44 -0.01 -0.60 0.00 -0.62 0.00 0.00 57.03 55.36 2k87 h ASP 61 Cb 1.25 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 40.48 2k87 h ASP 61 CO 0.48 0.45 -0.72 -0.69 -3.12 0.00 0.00 179.24 175.63 2k87 s VAL 62 N -5.65 2.87 0.28 -1.35 1.01 -0.02 -4.74 120.40 112.81 2k87 s VAL 62 Ca -0.09 -2.11 0.12 0.00 0.00 0.00 0.00 61.98 59.89 2k87 s VAL 62 Cb 0.18 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2k87 s VAL 62 CO 0.76 -0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 174.68 2k87 s VAL 63 N -2.25 2.59 0.03 2.92 1.01 -0.91 -1.50 120.40 122.29 2k87 s VAL 63 Ca 0.29 -2.33 0.04 0.00 0.00 0.00 0.00 61.98 59.97 2k87 s VAL 63 Cb -0.06 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2k87 s VAL 63 CO 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 175.10 174.76 2k87 s ALA 64 N -2.49 0.92 0.02 5.51 0.00 0.86 -1.56 121.76 125.01 2k87 s ALA 64 Ca 0.30 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2k87 s ALA 64 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2k87 s ALA 64 CO 0.16 0.15 -0.15 0.42 0.00 0.00 0.00 175.76 176.34 2k87 s ILE 65 N -0.83 1.16 0.12 0.00 -1.09 0.41 -2.08 121.20 118.90 2k87 s ILE 65 Ca -0.01 -0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 57.26 2k87 s ILE 65 Cb -0.07 -1.01 -0.10 0.00 -1.58 0.00 0.00 42.46 39.70 2k87 s ILE 65 CO 0.01 0.16 1.72 -0.62 -1.23 0.00 0.00 174.94 174.98 2k87 s ASP 66 N -0.79 6.50 0.44 3.58 -1.08 -1.26 -1.97 116.67 122.08 2k87 s ASP 66 Ca 0.04 2.67 0.26 0.00 -0.52 0.00 0.00 52.55 55.00 2k87 s ASP 66 Cb -0.07 -2.57 0.90 0.00 -1.46 0.00 0.00 42.92 39.71 2k87 s ASP 66 CO 0.01 -0.94 1.03 0.00 0.52 0.00 0.00 175.17 175.79 2k87 n TYR 67 N 5.16 0.00 -0.31 -5.34 9.36 -0.87 -1.96 117.16 123.21 2k87 n TYR 67 Ca 0.16 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.58 2k87 n TYR 67 Cb 0.38 -0.26 0.47 0.00 -0.63 0.00 0.00 39.34 39.30 2k87 n TYR 67 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k87 h ARG 68 N 0.00 0.47 0.00 2.98 2.47 -1.89 0.16 114.38 118.57 2k87 h ARG 68 Ca 0.49 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.18 2k87 h ARG 68 Cb 2.41 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 30.62 2k87 h ARG 68 CO -0.01 0.31 -0.01 0.45 0.56 0.00 0.00 179.97 181.28 2k87 h HIS 69 N 0.48 0.00 -0.51 3.04 3.86 -1.77 -3.40 115.15 116.84 2k87 h HIS 69 Ca 0.56 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 59.29 2k87 h HIS 69 Cb 1.29 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.72 2k87 h HIS 69 CO -0.00 0.01 1.64 0.98 0.86 0.00 0.00 177.93 181.41 2k87 n TYR 70 N -3.17 3.27 0.78 2.45 9.36 0.57 -4.81 117.16 125.62 2k87 n TYR 70 Ca -0.02 -1.98 -0.02 0.00 3.32 0.00 0.00 57.90 59.19 2k87 n TYR 70 Cb 0.11 -2.53 0.02 0.00 -0.63 0.00 0.00 39.34 36.30 2k87 n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k87 n SER 71 N 11.51 3.06 0.00 2.98 2.88 -1.26 -4.82 113.62 127.97 2k87 n SER 71 Ca 0.47 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 2k87 n SER 71 Cb 0.45 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2k87 n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k87 n ALA 72 N 0.34 0.00 -0.29 -1.46 0.00 -1.26 -4.69 120.51 113.15 2k87 n ALA 72 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2k87 n ALA 72 Cb 0.61 -0.29 0.15 0.00 0.00 0.00 0.00 19.45 19.92 2k87 n ALA 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k87 h SER 73 N 0.00 0.70 -0.32 0.00 0.02 -1.94 -3.20 113.55 108.81 2k87 h SER 73 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k87 h SER 73 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k87 h SER 73 CO 0.00 0.42 0.00 0.49 -1.14 0.00 0.00 176.83 176.60 2k87 n PHE 74 N -4.72 1.08 0.26 3.45 3.72 -1.26 -4.60 117.46 115.40 2k87 n PHE 74 Ca 0.12 -0.38 0.09 0.00 -0.05 0.00 0.00 57.45 57.24 2k87 n PHE 74 Cb 0.24 -0.30 0.68 0.00 -0.94 0.00 0.00 39.48 39.16 2k87 n PHE 74 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2k87 h LYS 75 N 2.17 0.00 -0.41 -1.08 2.10 -1.95 -1.49 116.57 115.92 2k87 h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k87 h LYS 75 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2k87 h LYS 75 CO 0.24 0.02 0.00 1.63 -2.00 0.00 0.00 179.45 179.34 2k87 n LYS 76 N -4.39 2.24 0.00 0.07 5.02 -1.26 -4.78 118.16 115.06 2k87 n LYS 76 Ca -0.03 -1.89 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 2k87 n LYS 76 Cb 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2k87 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k87 n GLY 77 N 1.37 2.39 3.52 0.72 0.00 -0.56 -4.22 105.19 108.42 2k87 n GLY 77 Ca 0.18 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 2k87 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k87 s ALA 78 N -2.56 0.70 0.10 4.61 0.00 -1.26 -2.42 121.76 120.93 2k87 s ALA 78 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 2k87 s ALA 78 Cb 0.00 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.25 2k87 s ALA 78 CO 0.00 -0.81 0.31 -1.59 0.00 0.00 0.00 175.76 173.67 2k87 s LYS 79 N -2.87 0.96 0.35 0.00 -2.85 -0.12 -3.78 119.74 111.43 2k87 s LYS 79 Ca 0.29 -0.80 0.06 0.00 -1.00 0.00 0.00 55.97 54.53 2k87 s LYS 79 Cb -0.01 0.41 0.06 0.00 -2.06 0.00 0.00 37.83 36.23 2k87 s LYS 79 CO 0.21 -0.35 0.46 -0.11 0.10 0.00 0.00 175.35 175.67 2k87 n LEU 80 N -0.11 0.00 -0.09 2.77 7.94 0.36 -1.23 117.00 126.65 2k87 n LEU 80 Ca -0.16 -1.53 -0.02 0.00 -1.11 0.00 0.00 56.01 53.19 2k87 n LEU 80 Cb 0.63 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 44.32 2k87 n LEU 80 CO 0.20 -0.61 0.11 -0.11 -1.11 0.00 0.00 177.39 175.86 2k87 n LEU 81 N 0.00 -0.22 -0.29 -1.96 7.94 -1.15 -2.35 117.00 118.96 2k87 n LEU 81 Ca 0.09 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2k87 n LEU 81 Cb 0.36 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.25 2k87 n LEU 81 CO 0.23 -0.31 0.25 0.00 -1.11 0.00 0.00 177.39 176.44 2k87 n HIS 82 N -4.09 0.00 -4.33 1.96 1.44 -1.26 -5.13 115.22 103.81 2k87 n HIS 82 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 2k87 n HIS 82 Cb 0.05 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.04 2k87 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k87 s LYS 83 N 0.00 1.28 0.45 -1.40 -0.14 -0.99 -5.14 119.74 113.80 2k87 s LYS 83 Ca 0.00 -1.49 -0.20 0.00 -1.36 0.00 0.00 55.97 52.92 2k87 s LYS 83 Cb 0.00 -1.17 -0.10 0.00 -1.68 0.00 0.00 37.83 34.88 2k87 s LYS 83 CO 0.00 0.21 0.96 -1.25 -0.76 0.00 0.00 175.35 174.52 2k87 s PRO 84 N -3.24 4.13 0.22 -1.68 0.04 -1.26 -0.48 135.00 132.73 2k87 s PRO 84 Ca 0.19 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.44 2k87 s PRO 84 Cb -0.03 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2k87 s PRO 84 CO 0.06 -0.12 -0.18 0.96 0.04 0.00 0.00 177.00 177.77 2k87 s ILE 85 N -2.24 2.06 0.16 0.56 -5.25 -1.25 -2.13 121.20 113.11 2k87 s ILE 85 Ca 0.62 -2.20 0.05 0.00 -0.99 0.00 0.00 60.65 58.13 2k87 s ILE 85 Cb -0.10 -2.10 -0.04 0.00 2.95 0.00 0.00 42.46 43.17 2k87 s ILE 85 CO 0.17 -0.43 -0.11 0.68 -1.79 0.00 0.00 174.94 173.46 2k87 s VAL 86 N -2.51 1.30 -0.05 8.37 -7.23 -0.60 -4.70 120.40 114.97 2k87 s VAL 86 Ca 0.24 -2.10 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 2k87 s VAL 86 Cb -0.04 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2k87 s VAL 86 CO 0.10 -0.71 0.72 0.26 -0.31 0.00 0.00 175.10 175.16 2k87 s TRP 87 N -3.24 3.60 0.29 2.82 0.23 -1.26 -0.44 118.94 120.93 2k87 s TRP 87 Ca 0.18 1.29 0.08 0.00 -2.03 0.00 0.00 56.10 55.63 2k87 s TRP 87 Cb 0.02 -2.82 -0.06 0.00 0.03 0.00 0.00 33.47 30.64 2k87 s TRP 87 CO 0.02 0.10 -0.10 -3.38 0.96 0.00 0.00 176.95 174.55 2k87 s HIS 88 N 0.73 2.08 -0.06 -1.98 -3.43 -0.83 -4.90 115.29 106.89 2k87 s HIS 88 Ca 0.38 -0.58 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 2k87 s HIS 88 Cb -0.18 -1.12 0.03 0.00 -1.43 0.00 0.00 32.58 29.88 2k87 s HIS 88 CO 0.19 0.43 0.08 0.42 -2.00 0.00 0.00 174.74 173.85 2k87 s ILE 89 N -2.84 -0.13 -1.46 -5.38 1.01 -1.14 -2.05 121.20 109.22 2k87 s ILE 89 Ca 0.29 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2k87 s ILE 89 Cb 0.02 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.28 2k87 s ILE 89 CO 0.13 0.14 0.00 -0.46 0.00 0.00 0.00 174.94 174.75 2k87 n ASN 90 N 5.30 -3.98 -2.42 3.58 2.04 -1.26 -0.35 115.26 118.18 2k87 n ASN 90 Ca -0.03 0.30 -0.18 0.00 -0.44 0.00 0.00 54.58 54.23 2k87 n ASN 90 Cb 0.50 -3.58 0.03 0.00 -2.53 0.00 0.00 39.78 34.20 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n GLN 91 N -2.20 -3.86 -4.42 -3.83 6.02 -1.26 -5.04 117.38 102.78 2k87 n GLN 91 Ca -0.15 0.72 -0.21 0.00 -0.01 0.00 0.00 57.00 57.35 2k87 n GLN 91 Cb 0.52 -5.19 -0.10 0.00 1.02 0.00 0.00 30.24 26.49 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k87 s ALA 92 N -3.04 2.30 0.11 -1.58 0.00 0.53 -4.45 121.76 115.64 2k87 s ALA 92 Ca 0.24 -1.82 0.08 0.00 0.00 0.00 0.00 51.96 50.46 2k87 s ALA 92 Cb -0.10 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2k87 s ALA 92 CO 0.29 -0.36 -0.14 -0.08 0.00 0.00 0.00 175.76 175.47 2k87 s THR 93 N -3.41 3.09 0.20 0.00 -1.32 -1.26 -2.88 115.64 110.06 2k87 s THR 93 Ca 0.34 -1.41 0.01 0.00 -1.21 0.00 0.00 61.69 59.42 2k87 s THR 93 Cb 0.07 -2.44 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 2k87 s THR 93 CO 0.15 0.10 0.07 0.42 -2.21 0.00 0.00 174.62 173.14 2k87 s THR 94 N -1.20 0.45 0.33 5.08 -4.23 -1.26 -5.00 115.64 109.81 2k87 s THR 94 Ca 0.20 -1.98 0.38 0.00 -1.18 0.00 0.00 61.69 59.11 2k87 s THR 94 Cb -0.11 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.77 2k87 s THR 94 CO 0.12 -0.22 2.15 0.50 -0.54 0.00 0.00 174.62 176.63 2k87 h LYS 95 N 2.58 0.00 0.84 3.99 3.64 -2.01 -0.30 116.57 125.32 2k87 h LYS 95 Ca -0.37 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2k87 h LYS 95 Cb 1.23 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2k87 h LYS 95 CO 0.60 0.00 -0.40 1.15 -2.27 0.00 0.00 179.45 178.53 2k87 h THR 96 N 0.00 0.00 -0.00 1.00 2.02 -2.03 -3.34 112.91 110.56 2k87 h THR 96 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2k87 h THR 96 Cb 0.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2k87 h THR 96 CO 0.00 0.00 -0.08 0.35 0.37 0.00 0.00 175.52 176.16 2k87 n THR 97 N -5.07 0.00 0.05 3.16 -2.24 -0.43 -3.32 114.28 106.42 2k87 n THR 97 Ca -0.14 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2k87 n THR 97 Cb 0.45 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 2k87 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k87 h PHE 98 N 0.34 -0.15 -0.33 4.78 3.57 -1.23 -2.77 116.94 121.15 2k87 h PHE 98 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2k87 h PHE 98 Cb 0.33 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 2k87 h PHE 98 CO 0.00 0.25 -0.23 0.87 -2.23 0.00 0.00 178.31 176.97 2k87 h LYS 99 N -0.61 -0.18 -0.35 1.11 1.79 -1.67 -0.94 116.57 115.72 2k87 h LYS 99 Ca -0.02 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 2k87 h LYS 99 Cb 0.47 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2k87 h LYS 99 CO 0.03 -0.12 -0.31 -1.00 -1.08 0.00 0.00 179.45 176.97 2k87 h PRO 100 N -0.19 0.76 -0.02 3.15 0.13 -1.74 -3.24 132.00 130.85 2k87 h PRO 100 Ca 0.17 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 2k87 h PRO 100 Cb 0.45 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2k87 h PRO 100 CO -0.44 0.97 -0.09 -0.91 -0.23 0.00 0.00 178.00 177.29 2k87 h ASN 101 N 0.64 0.02 -0.00 1.44 2.35 -0.90 -0.29 115.58 118.84 2k87 h ASN 101 Ca 0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2k87 h ASN 101 Cb 0.84 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2k87 h ASN 101 CO 0.07 0.12 0.00 0.71 -1.65 0.00 0.00 177.43 176.68 2k87 h THR 102 N 0.03 0.33 0.08 2.81 1.35 -1.36 0.09 112.91 116.24 2k87 h THR 102 Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.61 2k87 h THR 102 Cb 0.18 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2k87 h THR 102 CO 0.01 0.00 -1.12 -0.50 -0.25 0.00 0.00 175.52 173.66 2k87 h TRP 103 N 0.00 0.55 -0.14 4.73 4.06 -1.22 -2.89 115.95 121.04 2k87 h TRP 103 Ca 0.00 -0.36 -0.15 0.00 2.06 0.00 0.00 58.89 60.44 2k87 h TRP 103 Cb 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2k87 h TRP 103 CO 0.00 1.23 -0.56 0.00 -3.56 0.00 0.00 178.44 175.55 2k87 h LEU 105 N 0.32 0.57 -1.30 0.00 3.38 -1.03 0.37 115.31 117.62 2k87 h LEU 105 Ca 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k87 h LEU 105 Cb 1.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2k87 h LEU 105 CO 0.10 0.53 0.07 0.03 0.09 0.00 0.00 178.44 179.26 2k87 h ARG 106 N 0.62 0.55 0.00 1.13 3.08 -1.40 -2.05 114.38 116.31 2k87 h ARG 106 Ca 0.15 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2k87 h ARG 106 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k87 h ARG 106 CO -0.01 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 2k87 n LEU 108 N -2.50 0.87 -4.52 0.00 4.77 -0.81 -4.74 117.00 110.07 2k87 n LEU 108 Ca 0.03 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 2k87 n LEU 108 Cb 0.32 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.59 2k87 n LEU 108 CO 0.25 0.21 0.55 0.26 -1.33 0.00 0.00 177.39 177.33 2k87 s TRP 109 N -3.02 1.40 0.05 -1.77 0.51 -0.97 -5.02 118.94 110.13 2k87 s TRP 109 Ca 0.08 1.28 0.01 0.00 -2.12 0.00 0.00 56.10 55.35 2k87 s TRP 109 Cb 0.16 -3.14 -0.04 0.00 -0.81 0.00 0.00 33.47 29.64 2k87 s TRP 109 CO 0.84 -3.70 0.15 -1.12 -0.51 0.00 0.00 176.95 172.61 2k87 s SER 110 N -2.56 5.99 0.50 2.95 0.01 -1.23 -4.93 113.70 114.43 2k87 s SER 110 Ca 0.68 0.17 -0.05 0.00 1.31 0.00 0.00 55.95 58.06 2k87 s SER 110 Cb -0.24 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 2k87 s SER 110 CO 0.63 0.19 0.80 0.42 0.41 0.00 0.00 173.24 175.70 2k87 s THR 111 N -1.41 4.57 -0.73 1.44 -4.23 -1.26 -2.32 115.64 111.70 2k87 s THR 111 Ca 0.31 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 2k87 s THR 111 Cb -0.13 -3.75 -0.20 0.00 1.34 0.00 0.00 72.50 69.77 2k87 s THR 111 CO 0.23 -0.72 1.78 0.29 -0.54 0.00 0.00 174.62 175.66 2k87 n LYS 112 N -2.31 0.00 -1.45 3.99 4.76 -1.26 -4.88 118.16 117.01 2k87 n LYS 112 Ca 0.01 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.15 2k87 n LYS 112 Cb 0.56 -0.92 0.07 0.00 -1.84 0.00 0.00 35.03 32.90 2k87 n LYS 112 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k87 s PRO 113 N 5.87 2.49 -0.14 1.97 0.04 -1.26 -5.00 135.00 138.98 2k87 s PRO 113 Ca 0.98 0.96 0.15 0.00 0.04 0.00 0.00 61.00 63.12 2k87 s PRO 113 Cb -0.78 -1.94 0.35 0.00 0.04 0.00 0.00 34.50 32.17 2k87 s PRO 113 CO 0.38 -1.42 1.17 0.28 0.04 0.00 0.00 177.00 177.46 2k87 n VAL 114 N -3.35 1.57 0.20 -0.36 0.31 -1.26 -4.69 118.33 110.76 2k87 n VAL 114 Ca 0.08 -2.32 0.10 0.00 -0.01 0.00 0.00 64.34 62.18 2k87 n VAL 114 Cb 0.54 0.02 0.19 0.00 -0.91 0.00 0.00 33.84 33.68 2k87 n VAL 114 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2k87 h ASP 115 N 0.62 0.00 0.00 4.52 2.03 -2.01 -3.57 116.42 118.01 2k87 h ASP 115 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2k87 h ASP 115 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2k87 h ASP 115 CO 0.02 0.16 0.00 0.41 -1.03 0.00 0.00 179.24 178.79