#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 s TYR 2 N 0.00 -0.66 -0.15 2.03 6.14 -1.26 -5.05 117.35 118.41 2k87 s TYR 2 Ca 0.00 1.45 0.18 0.00 0.64 0.00 0.00 57.07 59.34 2k87 s TYR 2 Cb 0.00 0.29 0.38 0.00 0.42 0.00 0.00 41.96 43.05 2k87 s TYR 2 CO 0.00 -0.34 1.19 2.41 0.64 0.00 0.00 175.55 179.45 2k87 n THR 3 N 3.62 0.41 -2.47 4.34 -1.04 -1.26 -5.15 114.28 112.74 2k87 n THR 3 Ca -0.18 -1.45 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 2k87 n THR 3 Cb 0.56 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 2k87 n THR 3 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2k87 n GLU 4 N -0.34 0.00 -2.03 -2.82 0.28 -1.26 -4.37 120.64 110.10 2k87 n GLU 4 Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.54 2k87 n GLU 4 Cb 0.90 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.75 2k87 n GLU 4 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2k87 s GLN 5 N 0.00 4.27 1.07 3.44 0.74 -1.26 -5.02 119.66 122.89 2k87 s GLN 5 Ca 0.00 2.27 -0.14 0.00 0.05 0.00 0.00 55.36 57.54 2k87 s GLN 5 Cb 0.00 -3.15 0.22 0.00 1.10 0.00 0.00 33.01 31.19 2k87 s GLN 5 CO 0.00 -0.46 1.09 -1.25 -0.55 0.00 0.00 175.29 174.12 2k87 s PRO 6 N 0.27 -0.13 -1.19 1.67 0.04 -1.26 -4.87 135.00 129.53 2k87 s PRO 6 Ca 0.63 0.39 -0.19 0.00 0.04 0.00 0.00 61.00 61.87 2k87 s PRO 6 Cb -0.41 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2k87 s PRO 6 CO 0.38 -3.08 1.93 -0.89 0.04 0.00 0.00 177.00 175.38 2k87 n ILE 7 N -4.40 2.86 -1.24 0.56 5.41 -1.26 -4.34 119.36 116.94 2k87 n ILE 7 Ca 0.06 -2.79 -0.09 0.00 1.00 0.00 0.00 62.75 60.94 2k87 n ILE 7 Cb 0.58 -2.35 -0.04 0.00 -0.71 0.00 0.00 39.64 37.12 2k87 n ILE 7 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k87 n ASP 8 N 9.39 -2.30 -4.75 4.38 8.00 -1.26 -4.81 116.55 125.19 2k87 n ASP 8 Ca 0.49 0.21 -0.40 0.00 0.71 0.00 0.00 54.79 55.80 2k87 n ASP 8 Cb 0.44 -2.32 -0.04 0.00 -0.02 0.00 0.00 41.12 39.17 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k87 s LEU 9 N -3.12 4.56 -0.12 0.64 1.43 -1.26 -3.98 118.68 116.83 2k87 s LEU 9 Ca 0.00 2.20 -0.04 0.00 -1.03 0.00 0.00 54.13 55.26 2k87 s LEU 9 Cb 0.00 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.66 2k87 s LEU 9 CO 0.00 -0.11 0.21 0.68 0.23 0.00 0.00 176.35 177.36 2k87 s VAL 10 N -1.04 -0.33 0.25 -1.59 -7.23 -0.96 -4.97 120.40 104.53 2k87 s VAL 10 Ca 0.45 0.27 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 2k87 s VAL 10 Cb -0.31 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 2k87 s VAL 10 CO 0.39 0.09 1.39 -2.16 -0.31 0.00 0.00 175.10 174.50 2k87 s PRO 11 N 2.35 4.31 0.17 4.82 0.04 -1.26 -1.06 135.00 144.37 2k87 s PRO 11 Ca 0.03 2.23 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2k87 s PRO 11 Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2k87 s PRO 11 CO -0.08 -0.35 0.09 -2.37 0.04 0.00 0.00 177.00 174.34 2k87 n THR 12 N 2.23 0.00 -4.06 1.26 5.66 -1.19 -4.88 114.28 113.30 2k87 n THR 12 Ca 0.06 -1.10 -0.10 0.00 -3.05 0.00 0.00 64.05 59.85 2k87 n THR 12 Cb 0.41 0.46 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 2k87 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k87 s GLN 13 N -2.68 1.51 0.61 1.09 -0.21 -1.26 -4.19 119.66 114.53 2k87 s GLN 13 Ca 0.13 -1.40 -0.14 0.00 0.02 0.00 0.00 55.36 53.97 2k87 s GLN 13 Cb 0.01 0.42 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 2k87 s GLN 13 CO 0.09 -0.60 1.04 -1.25 -2.12 0.00 0.00 175.29 172.45 2k87 s PRO 14 N -3.94 3.37 0.72 2.91 0.04 -1.26 -4.89 135.00 131.94 2k87 s PRO 14 Ca 0.27 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 2k87 s PRO 14 Cb 0.01 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2k87 s PRO 14 CO 0.11 -0.76 1.16 -0.51 0.04 0.00 0.00 177.00 177.04 2k87 s LEU 15 N -4.79 3.30 0.61 -3.56 2.01 -1.26 -5.01 118.68 109.98 2k87 s LEU 15 Ca 0.60 2.17 -0.18 0.00 0.01 0.00 0.00 54.13 56.73 2k87 s LEU 15 Cb -0.14 -4.57 -0.03 0.00 0.01 0.00 0.00 46.19 41.47 2k87 s LEU 15 CO 0.43 -2.05 1.20 -2.16 1.01 0.00 0.00 176.35 174.78 2k87 s PRO 16 N -4.08 2.90 0.00 1.29 0.04 -1.26 -3.12 135.00 130.76 2k87 s PRO 16 Ca 0.70 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2k87 s PRO 16 Cb -0.25 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2k87 s PRO 16 CO 0.45 -1.25 0.00 0.09 0.04 0.00 0.00 177.00 176.33 2k87 n ASN 17 N -1.73 -0.82 -4.68 6.66 3.02 -1.26 -4.92 115.26 111.52 2k87 n ASN 17 Ca 0.13 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 2k87 n ASN 17 Cb 0.50 -2.34 0.04 0.00 -0.61 0.00 0.00 39.78 37.38 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 n ALA 18 N 1.00 0.92 -3.34 5.41 0.00 -1.18 -4.63 120.51 118.69 2k87 n ALA 18 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2k87 n ALA 18 Cb 0.06 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 2k87 n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k87 s SER 19 N -1.03 -0.45 0.78 0.00 1.04 -0.65 -4.97 113.70 108.42 2k87 s SER 19 Ca 0.73 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.86 2k87 s SER 19 Cb -0.43 0.87 0.07 0.00 0.10 0.00 0.00 66.02 66.62 2k87 s SER 19 CO 0.49 -0.18 1.20 0.12 0.98 0.00 0.00 173.24 175.85 2k87 s PHE 20 N 0.11 1.92 0.06 5.02 5.36 -1.26 -1.76 117.98 127.42 2k87 s PHE 20 Ca -0.01 1.64 -0.06 0.00 -0.96 0.00 0.00 56.93 57.54 2k87 s PHE 20 Cb -0.03 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.17 2k87 s PHE 20 CO 0.01 -2.73 0.10 0.34 -1.46 0.00 0.00 175.22 171.48 2k87 s ASP 21 N -2.14 0.22 0.00 6.13 -1.08 -1.26 -4.86 116.67 113.68 2k87 s ASP 21 Ca 0.73 -0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 2k87 s ASP 21 Cb -0.29 0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.43 2k87 s ASP 21 CO 0.49 -0.60 0.00 -3.20 0.52 0.00 0.00 175.17 172.37 2k87 n ASN 22 N 0.36 0.00 -4.73 -0.34 4.05 -1.26 -4.74 115.26 108.59 2k87 n ASN 22 Ca -0.17 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.44 2k87 n ASN 22 Cb 0.60 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.59 2k87 n ASN 22 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 2k87 n PHE 23 N -0.09 2.80 -2.86 1.20 1.16 -1.26 -0.61 117.46 117.80 2k87 n PHE 23 Ca 0.00 0.15 -0.31 0.00 -1.87 0.00 0.00 57.45 55.42 2k87 n PHE 23 Cb 0.00 -2.63 -0.04 0.00 -1.61 0.00 0.00 39.48 35.20 2k87 n PHE 23 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2k87 s LYS 24 N 0.29 3.85 0.10 3.97 2.20 -0.12 -4.92 119.74 125.10 2k87 s LYS 24 Ca 0.69 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.95 2k87 s LYS 24 Cb -0.50 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 2k87 s LYS 24 CO 0.41 -0.03 -0.12 -0.48 -0.36 0.00 0.00 175.35 174.78 2k87 s LEU 25 N -3.69 2.97 0.32 5.43 0.05 -1.26 -1.28 118.68 121.22 2k87 s LEU 25 Ca 0.53 -0.42 0.03 0.00 0.05 0.00 0.00 54.13 54.32 2k87 s LEU 25 Cb -0.10 -1.77 -0.05 0.00 -2.05 0.00 0.00 46.19 42.22 2k87 s LEU 25 CO 0.28 0.18 0.10 0.42 -0.55 0.00 0.00 176.35 176.79 2k87 s THR 26 N -1.19 0.73 -0.05 5.48 -4.23 -0.53 -4.81 115.64 111.05 2k87 s THR 26 Ca 0.20 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.41 2k87 s THR 26 Cb -0.11 -2.60 0.11 0.00 1.34 0.00 0.00 72.50 71.24 2k87 s THR 26 CO 0.13 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.32 2k87 h SER 28 N 2.00 -0.53 -2.93 0.00 0.87 -2.00 -3.33 113.55 107.63 2k87 h SER 28 Ca -0.20 0.09 -0.56 0.00 -1.23 0.00 0.00 61.79 59.89 2k87 h SER 28 Cb 1.20 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 63.32 2k87 h SER 28 CO 0.26 -0.23 0.95 0.21 -0.53 0.00 0.00 176.83 177.49 2k87 s ASN 29 N -5.00 6.34 0.44 6.23 3.84 -1.26 -4.91 114.94 120.62 2k87 s ASN 29 Ca -0.15 -0.14 0.15 0.00 0.21 0.00 0.00 52.86 52.94 2k87 s ASN 29 Cb 0.10 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.33 2k87 s ASN 29 CO 0.67 -1.56 1.97 0.71 -2.79 0.00 0.00 177.10 176.09 2k87 h THR 30 N 6.10 0.85 -0.60 -5.21 1.35 -1.92 -1.85 112.91 111.63 2k87 h THR 30 Ca -0.26 -0.13 0.12 0.00 -0.55 0.00 0.00 66.41 65.59 2k87 h THR 30 Cb 1.06 0.45 -0.10 0.00 -1.73 0.00 0.00 68.15 67.83 2k87 h THR 30 CO 1.21 0.07 0.05 0.50 -0.25 0.00 0.00 175.52 177.09 2k87 h LYS 31 N 0.37 0.16 0.00 4.72 1.63 -1.91 0.73 116.57 122.28 2k87 h LYS 31 Ca 0.30 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.12 2k87 h LYS 31 Cb 0.67 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 2k87 h LYS 31 CO -0.08 0.11 -0.26 0.35 -3.45 0.00 0.00 179.45 176.12 2k87 h PHE 32 N 0.16 -0.69 -0.45 1.91 3.57 -1.49 0.49 116.94 120.43 2k87 h PHE 32 Ca 0.32 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 2k87 h PHE 32 Cb 0.50 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 2k87 h PHE 32 CO -0.32 -0.35 -0.13 0.00 -2.23 0.00 0.00 178.31 175.29 2k87 h ALA 33 N 0.42 0.92 0.05 2.41 0.00 -1.53 -2.79 119.26 118.75 2k87 h ALA 33 Ca 0.06 -0.33 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2k87 h ALA 33 Cb 0.48 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k87 h ALA 33 CO -0.23 0.62 -1.07 0.22 0.00 0.00 0.00 179.25 178.80 2k87 h ASP 34 N 0.75 0.61 -0.14 0.00 3.58 -0.10 0.83 116.42 121.96 2k87 h ASP 34 Ca 0.12 -0.54 0.01 0.00 0.42 0.00 0.00 57.03 57.04 2k87 h ASP 34 Cb 0.63 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2k87 h ASP 34 CO 0.04 1.35 0.07 -0.78 -2.88 0.00 0.00 179.24 177.05 2k87 h ASP 35 N 0.22 0.11 -0.30 2.28 1.82 -1.00 -0.76 116.42 118.80 2k87 h ASP 35 Ca -0.12 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.50 2k87 h ASP 35 Cb 1.73 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.71 2k87 h ASP 35 CO 0.19 0.09 0.10 -0.07 -1.61 0.00 0.00 179.24 177.93 2k87 h LEU 36 N 0.15 0.44 -2.01 2.28 3.38 -1.43 -2.54 115.31 115.59 2k87 h LEU 36 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2k87 h LEU 36 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2k87 h LEU 36 CO -0.03 0.53 -0.06 0.78 0.09 0.00 0.00 178.44 179.74 2k87 h ASN 37 N 0.33 0.00 0.63 -0.43 2.35 -0.72 -0.57 115.58 117.17 2k87 h ASN 37 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2k87 h ASN 37 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2k87 h ASN 37 CO -0.00 0.06 -0.22 1.56 -1.65 0.00 0.00 177.43 177.18 2k87 h GLN 38 N 0.00 0.00 0.16 0.81 1.08 -0.70 -1.91 115.11 114.55 2k87 h GLN 38 Ca -0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 2k87 h GLN 38 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2k87 h GLN 38 CO 0.01 0.22 -1.68 0.52 -0.95 0.00 0.00 178.83 176.95 2k87 h MET 39 N 0.00 0.34 0.00 1.46 2.86 -0.97 -3.33 114.93 115.29 2k87 h MET 39 Ca -0.00 -0.58 -0.04 0.00 -2.06 0.00 0.00 59.70 57.01 2k87 h MET 39 Cb 0.59 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2k87 h MET 39 CO 0.03 1.28 -0.21 1.79 1.06 0.00 0.00 176.91 180.86 2k87 h THR 40 N -0.02 0.75 0.00 2.22 1.35 -1.48 -3.46 112.91 112.27 2k87 h THR 40 Ca -0.34 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2k87 h THR 40 Cb 2.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2k87 h THR 40 CO 0.14 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2k87 n GLY 41 N -0.46 0.68 3.57 5.82 0.00 -1.01 -5.02 105.19 108.78 2k87 n GLY 41 Ca -0.01 -0.22 -0.50 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 -2.59 1.29 -3.92 1.61 7.35 -0.75 -5.00 117.46 115.45 2k87 n PHE 42 Ca 0.00 0.69 -0.11 0.00 -0.76 0.00 0.00 57.45 57.27 2k87 n PHE 42 Cb 0.00 -2.28 -0.13 0.00 0.35 0.00 0.00 39.48 37.42 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 -0.02 0.07 0.66 -2.13 2.01 -1.26 -4.88 115.64 110.09 2k87 s THR 43 Ca 0.77 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2k87 s THR 43 Cb -0.90 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 71.50 2k87 s THR 43 CO 0.51 -0.17 1.02 -0.54 -0.69 0.00 0.00 174.62 174.75 2k87 s LYS 44 N -0.53 2.84 0.23 4.92 1.02 -1.26 -4.14 119.74 122.83 2k87 s LYS 44 Ca -0.05 0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 2k87 s LYS 44 Cb -0.04 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 2k87 s LYS 44 CO -0.00 -0.92 1.29 -1.25 -0.92 0.00 0.00 175.35 173.55 2k87 s PRO 45 N -5.21 4.41 0.49 -1.68 0.04 -1.26 -5.13 135.00 126.66 2k87 s PRO 45 Ca 0.57 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.48 2k87 s PRO 45 Cb -0.11 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 2k87 s PRO 45 CO 0.49 -0.19 1.01 0.00 0.04 0.00 0.00 177.00 178.34 2k87 s ALA 46 N -0.28 2.93 -0.00 8.56 0.00 -1.26 -4.99 121.76 126.72 2k87 s ALA 46 Ca 0.54 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 2k87 s ALA 46 Cb -0.37 -3.20 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 2k87 s ALA 46 CO 0.42 -0.26 1.27 1.03 0.00 0.00 0.00 175.76 178.22 2k87 h SER 47 N 1.37 0.19 -5.42 0.00 0.87 -1.21 -3.47 113.55 105.87 2k87 h SER 47 Ca -0.48 -0.52 -0.15 0.00 -1.23 0.00 0.00 61.79 59.40 2k87 h SER 47 Cb 1.20 -0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.99 2k87 h SER 47 CO 0.60 0.67 -0.38 0.00 -0.53 0.00 0.00 176.83 177.19 2k87 s ARG 48 N -4.14 1.37 -0.29 2.24 1.04 -1.26 -4.98 118.95 112.94 2k87 s ARG 48 Ca -0.15 -1.45 0.00 0.00 -1.04 0.00 0.00 55.73 53.09 2k87 s ARG 48 Cb 0.03 0.37 0.09 0.00 -2.04 0.00 0.00 34.95 33.39 2k87 s ARG 48 CO 0.72 -0.51 0.05 -1.21 -0.04 0.00 0.00 175.30 174.30 2k87 s GLU 49 N -4.08 1.08 0.89 3.89 2.02 -1.26 -0.94 118.70 120.29 2k87 s GLU 49 Ca 0.31 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 2k87 s GLU 49 Cb 0.03 -2.39 0.13 0.00 0.10 0.00 0.00 34.13 32.00 2k87 s GLU 49 CO 0.11 -0.85 1.09 -0.51 0.02 0.00 0.00 175.26 175.12 2k87 s LEU 50 N 1.45 2.27 0.01 1.80 1.43 -0.40 -4.93 118.68 120.31 2k87 s LEU 50 Ca 0.05 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2k87 s LEU 50 Cb -0.18 -3.91 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 2k87 s LEU 50 CO -0.15 -2.62 -0.02 -0.55 0.23 0.00 0.00 176.35 173.23 2k87 s SER 51 N -3.43 0.18 0.09 2.29 0.15 -1.26 -1.45 113.70 110.26 2k87 s SER 51 Ca 0.63 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.08 2k87 s SER 51 Cb -0.18 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2k87 s SER 51 CO 0.57 -0.16 -0.23 -0.69 1.20 0.00 0.00 173.24 173.92 2k87 s VAL 52 N -0.83 1.88 0.03 4.45 1.01 -0.48 -1.23 120.40 125.24 2k87 s VAL 52 Ca -0.09 -1.49 0.05 0.00 0.00 0.00 0.00 61.98 60.46 2k87 s VAL 52 Cb -0.06 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 2k87 s VAL 52 CO -0.01 0.10 -0.15 0.42 0.00 0.00 0.00 175.10 175.46 2k87 s THR 53 N -1.00 1.19 -0.11 3.92 -4.23 -1.10 -4.17 115.64 110.15 2k87 s THR 53 Ca 0.09 -0.93 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 2k87 s THR 53 Cb -0.10 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 2k87 s THR 53 CO 0.04 0.11 0.55 -0.36 -0.54 0.00 0.00 174.62 174.42 2k87 s PHE 54 N -0.71 3.52 0.72 3.99 0.08 -1.26 -1.11 117.98 123.21 2k87 s PHE 54 Ca 0.03 0.98 -0.16 0.00 0.12 0.00 0.00 56.93 57.91 2k87 s PHE 54 Cb -0.07 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2k87 s PHE 54 CO 0.01 0.11 0.74 0.34 -0.10 0.00 0.00 175.22 176.32 2k87 n PHE 55 N 3.83 -0.09 -2.67 0.36 7.35 -0.97 -3.21 117.46 122.06 2k87 n PHE 55 Ca -0.05 0.38 -0.42 0.00 -0.76 0.00 0.00 57.45 56.60 2k87 n PHE 55 Cb 0.51 -2.00 -0.03 0.00 0.35 0.00 0.00 39.48 38.32 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 -3.01 3.43 -0.30 -7.13 0.04 -1.26 -5.01 135.00 121.77 2k87 s PRO 56 Ca 0.69 -0.99 -0.12 0.00 0.04 0.00 0.00 61.00 60.62 2k87 s PRO 56 Cb -0.35 -4.83 0.17 0.00 0.04 0.00 0.00 34.50 29.52 2k87 s PRO 56 CO 0.54 -2.06 0.90 0.34 0.04 0.00 0.00 177.00 176.77 2k87 s ASP 57 N 4.24 -0.74 -0.15 6.66 -1.08 -1.20 -5.05 116.67 119.36 2k87 s ASP 57 Ca 0.37 0.80 0.16 0.00 -0.52 0.00 0.00 52.55 53.37 2k87 s ASP 57 Cb -0.05 1.76 0.43 0.00 -1.46 0.00 0.00 42.92 43.59 2k87 s ASP 57 CO -0.01 -0.14 1.20 0.00 0.52 0.00 0.00 175.17 176.74 2k87 n LEU 58 N 5.20 2.23 0.10 -1.34 -0.00 -1.26 -3.98 117.00 117.96 2k87 n LEU 58 Ca -0.08 -3.28 0.12 0.00 -0.00 0.00 0.00 56.01 52.78 2k87 n LEU 58 Cb 0.52 -0.29 0.27 0.00 -0.00 0.00 0.00 43.42 43.92 2k87 n LEU 58 CO -0.05 1.13 0.64 0.78 -0.00 0.00 0.00 177.39 179.90 2k87 h ASN 59 N 1.15 0.00 -4.17 1.45 2.35 -1.94 -3.45 115.58 110.98 2k87 h ASN 59 Ca -0.06 -0.07 -0.50 0.00 -0.55 0.00 0.00 56.30 55.12 2k87 h ASN 59 Cb 1.36 0.00 0.16 0.00 0.05 0.00 0.00 38.32 39.89 2k87 h ASN 59 CO 0.10 0.04 0.25 -0.83 -1.65 0.00 0.00 177.43 175.33 2k87 s GLY 60 N -3.73 1.66 0.21 2.83 0.00 -1.26 -4.94 107.32 102.08 2k87 s GLY 60 Ca 0.08 0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 2k87 s GLY 60 CO 0.66 0.68 1.68 -0.55 0.00 0.00 0.00 173.10 175.56 2k87 h ASP 61 N -1.55 -0.18 -2.08 1.64 3.32 -1.48 -3.44 116.42 112.66 2k87 h ASP 61 Ca -0.46 0.14 -0.60 0.00 0.02 0.00 0.00 57.03 56.12 2k87 h ASP 61 Cb 1.26 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.91 2k87 h ASP 61 CO 0.49 -0.08 -0.70 -0.69 -1.72 0.00 0.00 179.24 176.55 2k87 s VAL 62 N -6.13 2.51 0.35 -1.35 1.01 -0.62 -4.78 120.40 111.39 2k87 s VAL 62 Ca -0.13 -2.23 0.06 0.00 0.00 0.00 0.00 61.98 59.67 2k87 s VAL 62 Cb 0.19 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 2k87 s VAL 62 CO 0.74 -0.30 0.01 -0.69 0.00 0.00 0.00 175.10 174.85 2k87 s VAL 63 N -2.53 1.66 0.01 2.92 1.01 -0.38 -2.70 120.40 120.38 2k87 s VAL 63 Ca 0.32 -2.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 2k87 s VAL 63 Cb -0.02 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2k87 s VAL 63 CO 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 175.10 175.21 2k87 s ALA 64 N -2.97 -0.02 0.05 5.51 0.00 -0.26 -2.68 121.76 121.39 2k87 s ALA 64 Ca 0.34 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.06 2k87 s ALA 64 Cb 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2k87 s ALA 64 CO 0.16 -0.12 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 2k87 s ILE 65 N -0.98 1.24 0.30 0.00 -1.09 0.48 -2.28 121.20 118.87 2k87 s ILE 65 Ca -0.11 -1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 56.86 2k87 s ILE 65 Cb -0.07 -1.14 -0.10 0.00 -1.58 0.00 0.00 42.46 39.58 2k87 s ILE 65 CO -0.00 -0.04 1.35 -0.62 -1.23 0.00 0.00 174.94 174.40 2k87 s ASP 66 N -1.38 6.73 0.63 3.58 -1.08 -1.26 -2.68 116.67 121.21 2k87 s ASP 66 Ca 0.02 2.68 0.39 0.00 -0.52 0.00 0.00 52.55 55.12 2k87 s ASP 66 Cb -0.09 -2.64 2.11 0.00 -1.46 0.00 0.00 42.92 40.85 2k87 s ASP 66 CO 0.02 -0.59 2.19 0.22 0.52 0.00 0.00 175.17 177.53 2k87 h TYR 67 N 3.89 0.00 -0.23 -5.34 3.20 -1.94 -2.13 116.97 114.42 2k87 h TYR 67 Ca -0.48 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.46 2k87 h TYR 67 Cb 1.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2k87 h TYR 67 CO 0.57 0.00 0.25 0.07 -1.64 0.00 0.00 178.16 177.42 2k87 h ARG 68 N 0.00 0.00 -0.10 1.82 0.11 -1.92 -1.02 114.38 113.27 2k87 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k87 h ARG 68 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2k87 h ARG 68 CO 0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2k87 n HIS 69 N -3.78 0.12 -2.05 4.08 8.25 -0.80 -4.74 115.22 116.29 2k87 n HIS 69 Ca 0.03 -0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.15 2k87 n HIS 69 Cb 0.39 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 2k87 n HIS 69 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2k87 s TYR 70 N -1.88 1.86 0.32 4.41 5.04 -0.39 -4.94 117.35 121.77 2k87 s TYR 70 Ca 0.35 0.57 0.07 0.00 -2.44 0.00 0.00 57.07 55.62 2k87 s TYR 70 Cb 0.19 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.46 2k87 s TYR 70 CO 0.30 -1.55 0.40 0.45 -1.34 0.00 0.00 175.55 173.80 2k87 s SER 71 N 7.48 5.79 0.53 4.32 0.15 -1.26 -5.03 113.70 125.69 2k87 s SER 71 Ca 0.69 -0.26 0.35 0.00 0.70 0.00 0.00 55.95 57.44 2k87 s SER 71 Cb -0.05 -1.22 1.66 0.00 -1.71 0.00 0.00 66.02 64.70 2k87 s SER 71 CO 0.04 -0.36 2.05 0.00 1.20 0.00 0.00 173.24 176.17 2k87 h ALA 72 N 1.05 1.00 -0.68 5.45 0.00 -2.01 -1.30 119.26 122.77 2k87 h ALA 72 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2k87 h ALA 72 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2k87 h ALA 72 CO 0.55 0.00 0.40 0.77 0.00 0.00 0.00 179.25 180.97 2k87 h SER 73 N 0.00 0.81 -0.16 0.00 0.02 -1.97 -2.66 113.55 109.59 2k87 h SER 73 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2k87 h SER 73 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2k87 h SER 73 CO 0.00 0.63 0.01 0.49 -1.14 0.00 0.00 176.83 176.82 2k87 n PHE 74 N -4.39 0.56 0.29 3.45 3.72 -0.49 -4.47 117.46 116.14 2k87 n PHE 74 Ca 0.07 -0.23 0.15 0.00 -0.05 0.00 0.00 57.45 57.38 2k87 n PHE 74 Cb 0.07 -0.22 0.90 0.00 -0.94 0.00 0.00 39.48 39.29 2k87 n PHE 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k87 h LYS 75 N 0.98 0.00 -0.17 -1.08 1.63 -1.60 -0.92 116.57 115.41 2k87 h LYS 75 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2k87 h LYS 75 Cb 0.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2k87 h LYS 75 CO 0.14 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.77 2k87 n LYS 76 N -3.89 2.40 0.00 1.90 5.02 -1.26 -4.98 118.16 117.35 2k87 n LYS 76 Ca -0.03 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 2k87 n LYS 76 Cb 0.08 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.76 2.18 3.42 0.72 0.00 -0.35 -4.53 105.19 105.87 2k87 n GLY 77 Ca 0.19 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.37 0.80 0.24 4.61 0.00 -1.26 -3.20 121.76 120.59 2k87 s ALA 78 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2k87 s ALA 78 Cb 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 2k87 s ALA 78 CO 0.00 -0.74 0.15 -1.59 0.00 0.00 0.00 175.76 173.58 2k87 s LYS 79 N -3.57 1.36 0.03 0.00 -2.85 -0.23 -4.16 119.74 110.32 2k87 s LYS 79 Ca 0.32 -1.74 -0.00 0.00 -1.00 0.00 0.00 55.97 53.55 2k87 s LYS 79 Cb 0.02 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.94 2k87 s LYS 79 CO 0.17 -0.42 0.04 -0.11 0.10 0.00 0.00 175.35 175.13 2k87 n LEU 80 N -0.39 0.00 -0.37 2.77 7.94 0.33 -2.27 117.00 125.01 2k87 n LEU 80 Ca 0.02 -0.06 -0.01 0.00 -1.11 0.00 0.00 56.01 54.85 2k87 n LEU 80 Cb 0.65 -0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.61 2k87 n LEU 80 CO 0.34 -0.53 0.57 -0.11 -1.11 0.00 0.00 177.39 176.55 2k87 n LEU 81 N 0.00 -0.63 0.00 -1.96 -0.00 -1.26 -3.85 117.00 109.31 2k87 n LEU 81 Ca 0.01 1.69 0.00 0.00 -0.00 0.00 0.00 56.01 57.71 2k87 n LEU 81 Cb 0.02 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 2k87 n LEU 81 CO 0.01 -1.52 0.00 0.00 -0.00 0.00 0.00 177.39 175.88 2k87 n HIS 82 N -5.43 0.00 -4.21 1.96 1.44 -1.26 -5.10 115.22 102.62 2k87 n HIS 82 Ca 0.10 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.52 2k87 n HIS 82 Cb 0.39 0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.42 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 2.26 0.40 -1.40 1.02 -1.25 -5.11 119.74 115.66 2k87 s LYS 83 Ca 0.00 -1.05 -0.24 0.00 0.02 0.00 0.00 55.97 54.70 2k87 s LYS 83 Cb 0.00 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 2k87 s LYS 83 CO 0.00 0.49 1.08 -1.25 -0.92 0.00 0.00 175.35 174.75 2k87 s PRO 84 N -2.51 4.13 0.16 -1.68 0.04 -1.26 -0.52 135.00 133.36 2k87 s PRO 84 Ca 0.24 1.61 0.05 0.00 0.04 0.00 0.00 61.00 62.94 2k87 s PRO 84 Cb -0.10 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2k87 s PRO 84 CO 0.16 -0.19 -0.12 0.96 0.04 0.00 0.00 177.00 177.85 2k87 s ILE 85 N -1.58 1.34 0.29 0.56 -5.25 -1.26 -1.25 121.20 114.05 2k87 s ILE 85 Ca 0.57 -2.07 0.03 0.00 -0.99 0.00 0.00 60.65 58.19 2k87 s ILE 85 Cb -0.25 -1.87 -0.06 0.00 2.95 0.00 0.00 42.46 43.23 2k87 s ILE 85 CO 0.31 -0.68 0.06 0.68 -1.79 0.00 0.00 174.94 173.52 2k87 s VAL 86 N -3.13 0.97 0.05 8.37 -7.23 -1.09 -4.78 120.40 113.56 2k87 s VAL 86 Ca 0.18 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 2k87 s VAL 86 Cb 0.01 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 2k87 s VAL 86 CO 0.02 -0.06 0.65 0.26 -0.31 0.00 0.00 175.10 175.66 2k87 s TRP 87 N -3.46 3.75 0.39 2.82 0.52 -1.26 -0.39 118.94 121.32 2k87 s TRP 87 Ca 0.35 1.33 0.08 0.00 0.02 0.00 0.00 56.10 57.88 2k87 s TRP 87 Cb 0.08 -2.64 -0.06 0.00 -1.15 0.00 0.00 33.47 29.69 2k87 s TRP 87 CO 0.14 0.42 0.06 -3.38 0.02 0.00 0.00 176.95 174.21 2k87 s HIS 88 N -0.52 2.55 -0.10 -1.98 -3.43 -1.09 -4.90 115.29 105.81 2k87 s HIS 88 Ca 0.33 -0.58 -0.02 0.00 -0.80 0.00 0.00 55.06 54.00 2k87 s HIS 88 Cb -0.20 -1.75 0.03 0.00 -1.43 0.00 0.00 32.58 29.24 2k87 s HIS 88 CO 0.20 0.37 -0.00 0.42 -2.00 0.00 0.00 174.74 173.73 2k87 s ILE 89 N -2.62 0.50 -1.42 -5.38 1.01 -0.07 -3.47 121.20 109.74 2k87 s ILE 89 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2k87 s ILE 89 Cb 0.05 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.81 2k87 s ILE 89 CO 0.20 0.18 0.00 -0.46 0.00 0.00 0.00 174.94 174.85 2k87 n ASN 90 N 5.10 -5.00 0.00 3.58 2.04 -1.26 -0.25 115.26 119.47 2k87 n ASN 90 Ca -0.08 0.33 0.00 0.00 -0.44 0.00 0.00 54.58 54.39 2k87 n ASN 90 Cb 0.49 -4.03 0.00 0.00 -2.53 0.00 0.00 39.78 33.71 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 -1.37 0.00 -4.61 -3.83 6.02 -1.26 -5.06 117.38 107.27 2k87 n GLN 91 Ca -0.13 0.39 -0.28 0.00 -0.01 0.00 0.00 57.00 56.96 2k87 n GLN 91 Cb 0.56 -3.39 -0.08 0.00 1.02 0.00 0.00 30.24 28.35 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 -2.00 3.35 -0.04 -1.58 0.00 0.66 -4.17 121.76 117.98 2k87 s ALA 92 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2k87 s ALA 92 Cb 0.00 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.54 2k87 s ALA 92 CO 0.00 -0.19 -0.08 -0.08 0.00 0.00 0.00 175.76 175.41 2k87 s THR 93 N -3.04 0.76 0.34 0.00 -1.32 -1.26 -0.89 115.64 110.23 2k87 s THR 93 Ca 0.19 -0.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.44 2k87 s THR 93 Cb 0.04 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.24 2k87 s THR 93 CO 0.10 0.26 -0.02 0.42 -2.21 0.00 0.00 174.62 173.17 2k87 s THR 94 N 0.53 1.81 0.50 5.08 -4.23 -1.26 -4.93 115.64 113.14 2k87 s THR 94 Ca -0.09 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 58.57 2k87 s THR 94 Cb -0.12 -2.73 0.39 0.00 1.34 0.00 0.00 72.50 71.37 2k87 s THR 94 CO 0.01 -0.13 1.97 0.50 -0.54 0.00 0.00 174.62 176.44 2k87 h LYS 95 N 2.03 0.12 0.08 3.99 3.64 -2.01 0.27 116.57 124.69 2k87 h LYS 95 Ca -0.42 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 2k87 h LYS 95 Cb 1.24 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2k87 h LYS 95 CO 0.73 0.08 -0.30 1.15 -2.27 0.00 0.00 179.45 178.84 2k87 h THR 96 N 0.13 0.00 -0.00 1.00 2.02 -2.03 -3.23 112.91 110.80 2k87 h THR 96 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 2k87 h THR 96 Cb 0.96 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2k87 h THR 96 CO -0.04 0.00 -0.17 0.35 0.37 0.00 0.00 175.52 176.04 2k87 n THR 97 N -4.17 0.00 0.08 3.16 -2.24 0.10 -3.85 114.28 107.37 2k87 n THR 97 Ca -0.05 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2k87 n THR 97 Cb 0.24 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.02 -0.20 -0.38 4.78 3.57 -0.60 -1.51 116.94 122.62 2k87 h PHE 98 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2k87 h PHE 98 Cb 0.49 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 2k87 h PHE 98 CO 0.00 0.15 -0.31 0.87 -2.23 0.00 0.00 178.31 176.79 2k87 h LYS 99 N -0.60 -0.24 0.00 1.11 1.79 -1.66 -0.73 116.57 116.24 2k87 h LYS 99 Ca -0.02 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 2k87 h LYS 99 Cb 0.45 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2k87 h LYS 99 CO 0.04 -0.16 -0.49 -1.00 -1.08 0.00 0.00 179.45 176.75 2k87 h PRO 100 N -0.25 0.00 -0.02 3.15 0.13 -1.76 -2.87 132.00 130.39 2k87 h PRO 100 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2k87 h PRO 100 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2k87 h PRO 100 CO -0.52 0.49 -0.07 -0.91 -0.23 0.00 0.00 178.00 176.76 2k87 h ASN 101 N 0.00 0.02 -0.24 1.44 2.35 -0.09 -2.72 115.58 116.34 2k87 h ASN 101 Ca -0.00 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 2k87 h ASN 101 Cb 0.90 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 2k87 h ASN 101 CO 0.06 0.10 -0.12 0.71 -1.65 0.00 0.00 177.43 176.53 2k87 h THR 102 N 0.02 1.25 0.06 2.81 1.35 -0.95 0.20 112.91 117.65 2k87 h THR 102 Ca 0.01 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2k87 h THR 102 Cb 0.15 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2k87 h THR 102 CO 0.01 0.37 -0.03 -0.50 -0.25 0.00 0.00 175.52 175.12 2k87 h TRP 103 N 0.59 -0.08 -0.90 4.73 4.06 -1.66 -2.50 115.95 120.19 2k87 h TRP 103 Ca 0.10 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.22 2k87 h TRP 103 Cb 0.55 0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.67 2k87 h TRP 103 CO 0.02 0.17 0.58 0.00 -3.56 0.00 0.00 178.44 175.66 2k87 h LEU 105 N 0.58 1.01 -2.19 0.00 3.38 -0.46 -2.60 115.31 115.04 2k87 h LEU 105 Ca 0.47 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k87 h LEU 105 Cb 0.92 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2k87 h LEU 105 CO -0.21 1.16 0.00 0.03 0.09 0.00 0.00 178.44 179.51 2k87 h ARG 106 N 0.87 0.00 -0.30 1.13 3.08 -0.49 0.26 114.38 118.93 2k87 h ARG 106 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2k87 h ARG 106 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2k87 h ARG 106 CO 0.06 0.00 -0.49 0.00 -1.07 0.00 0.00 179.97 178.47 2k87 h LEU 108 N 0.65 0.00-10.18 0.00 3.38 -0.86 -3.46 115.31 104.84 2k87 h LEU 108 Ca 0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.47 2k87 h LEU 108 Cb 1.08 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.02 2k87 h LEU 108 CO 0.11 0.00 0.23 0.79 0.09 0.00 0.00 178.44 179.66 2k87 n TRP 109 N -2.53 0.95 -2.62 1.13 7.02 -0.85 -4.98 117.44 115.56 2k87 n TRP 109 Ca 0.04 0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.91 2k87 n TRP 109 Cb 0.39 -2.05 0.00 0.00 -2.42 0.00 0.00 31.31 27.23 2k87 n TRP 109 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2k87 n SER 110 N -3.39 0.24 -3.81 -0.99 7.64 -0.72 -4.78 113.62 107.81 2k87 n SER 110 Ca 0.13 -0.50 -0.30 0.00 1.01 0.00 0.00 58.87 59.21 2k87 n SER 110 Cb 0.51 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.56 2k87 n SER 110 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k87 s THR 111 N 1.32 1.42 -0.23 0.44 -4.23 -1.26 -1.64 115.64 111.46 2k87 s THR 111 Ca 0.00 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2k87 s THR 111 Cb 0.00 -2.04 0.07 0.00 1.34 0.00 0.00 72.50 71.87 2k87 s THR 111 CO 0.00 -0.71 0.04 -0.75 -0.54 0.00 0.00 174.62 172.66 2k87 s LYS 112 N 1.09 0.80 0.08 3.99 2.47 -1.26 -5.03 119.74 121.87 2k87 s LYS 112 Ca 0.12 -0.67 -0.37 0.00 -1.56 0.00 0.00 55.97 53.49 2k87 s LYS 112 Cb -0.20 -2.13 -0.17 0.00 -1.46 0.00 0.00 37.83 33.88 2k87 s LYS 112 CO -0.14 -0.73 1.34 -2.30 0.16 0.00 0.00 175.35 173.67 2k87 n PRO 113 N 4.95 1.13 -3.31 4.03 -0.02 -1.26 -4.92 135.00 135.60 2k87 n PRO 113 Ca -0.08 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 2k87 n PRO 113 Cb 0.45 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 2k87 n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k87 s VAL 114 N 0.49 -0.57 0.00 -1.45 0.11 -1.26 -4.97 120.40 112.75 2k87 s VAL 114 Ca 0.85 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2k87 s VAL 114 Cb -0.96 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 2k87 s VAL 114 CO 0.47 -0.37 0.00 -0.67 -3.33 0.00 0.00 175.10 171.20 2k87 n ASP 115 N 4.56 0.00 0.00 3.54 2.03 -1.26 -5.25 116.55 120.17 2k87 n ASP 115 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2k87 n ASP 115 Cb 0.49 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69