#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 -0.23 -0.82 2.03 9.36 -1.26 -5.03 117.16 121.21 2k87 n TYR 2 Ca 0.00 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.26 2k87 n TYR 2 Cb 0.00 0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.95 2k87 n TYR 2 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2k87 n THR 3 N -2.69 0.00 -4.72 2.97 -1.04 -1.26 -4.87 114.28 102.67 2k87 n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k87 n THR 3 Cb 0.00 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 2k87 n THR 3 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k87 n GLU 4 N -1.44 0.00 -1.16 -2.82 0.00 -1.26 -4.86 120.64 109.10 2k87 n GLU 4 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 2k87 n GLU 4 Cb 0.12 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.63 2k87 n GLU 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2k87 n GLN 5 N -1.67 0.15 -1.50 5.31 1.13 -1.26 -5.00 117.38 114.54 2k87 n GLN 5 Ca 0.00 0.09 -0.34 0.00 -1.94 0.00 0.00 57.00 54.81 2k87 n GLN 5 Cb 0.00 -1.70 0.08 0.00 0.11 0.00 0.00 30.24 28.73 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2k87 s PRO 6 N -2.70 2.30 -1.25 -1.09 0.04 -1.26 -4.91 135.00 126.13 2k87 s PRO 6 Ca 0.61 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 2k87 s PRO 6 Cb -0.32 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2k87 s PRO 6 CO 0.62 -1.68 1.88 -0.89 0.04 0.00 0.00 177.00 176.97 2k87 n ILE 7 N -2.69 3.16 -1.46 0.56 -0.00 -1.26 -4.24 119.36 113.43 2k87 n ILE 7 Ca 0.12 -3.18 -0.09 0.00 -0.00 0.00 0.00 62.75 59.61 2k87 n ILE 7 Cb 0.51 -2.34 -0.03 0.00 -0.00 0.00 0.00 39.64 37.78 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 9.55 -2.41 -4.68 4.38 8.00 -1.26 -4.75 116.55 125.38 2k87 n ASP 8 Ca 0.48 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.79 2k87 n ASP 8 Cb 0.45 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.16 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2k87 s LEU 9 N -3.54 4.30 -0.08 0.64 2.96 -1.26 -4.29 118.68 117.42 2k87 s LEU 9 Ca 0.00 2.09 0.04 0.00 -0.22 0.00 0.00 54.13 56.04 2k87 s LEU 9 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2k87 s LEU 9 CO 0.00 -0.76 -0.20 0.68 -1.32 0.00 0.00 176.35 174.75 2k87 s VAL 10 N 2.83 1.70 0.60 1.68 -7.23 -0.20 -4.97 120.40 114.81 2k87 s VAL 10 Ca 0.65 -0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 2k87 s VAL 10 Cb -0.31 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2k87 s VAL 10 CO 0.26 0.48 1.08 -2.16 -0.31 0.00 0.00 175.10 174.45 2k87 s PRO 11 N 0.32 3.21 0.12 4.82 0.05 -1.26 -0.84 135.00 141.41 2k87 s PRO 11 Ca -0.14 1.34 -0.02 0.00 0.05 0.00 0.00 61.00 62.24 2k87 s PRO 11 Cb -0.16 -2.01 0.01 0.00 0.05 0.00 0.00 34.50 32.39 2k87 s PRO 11 CO 0.06 -0.92 0.18 -2.37 0.05 0.00 0.00 177.00 174.00 2k87 n THR 12 N -1.94 0.00 -4.24 1.26 5.66 -0.65 -4.82 114.28 109.56 2k87 n THR 12 Ca 0.10 -0.52 -0.13 0.00 -3.05 0.00 0.00 64.05 60.44 2k87 n THR 12 Cb 0.52 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.55 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 -2.21 1.05 0.66 1.09 0.00 -1.26 -2.85 119.66 116.14 2k87 s GLN 13 Ca 0.09 -1.47 -0.10 0.00 -0.00 0.00 0.00 55.36 53.88 2k87 s GLN 13 Cb -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 33.01 32.59 2k87 s GLN 13 CO 0.06 -0.02 1.04 -1.25 0.00 0.00 0.00 175.29 175.12 2k87 s PRO 14 N -3.82 2.95 0.90 9.60 0.04 -1.26 -4.89 135.00 138.51 2k87 s PRO 14 Ca 0.19 0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.48 2k87 s PRO 14 Cb 0.04 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.62 2k87 s PRO 14 CO 0.01 -0.90 1.12 -0.51 0.04 0.00 0.00 177.00 176.77 2k87 s LEU 15 N -5.24 2.72 0.32 -3.56 1.02 -1.26 -4.96 118.68 107.73 2k87 s LEU 15 Ca 0.57 2.03 -0.29 0.00 0.02 0.00 0.00 54.13 56.45 2k87 s LEU 15 Cb -0.11 -4.45 -0.11 0.00 0.02 0.00 0.00 46.19 41.54 2k87 s LEU 15 CO 0.50 -2.92 1.56 -2.16 0.02 0.00 0.00 176.35 173.35 2k87 s PRO 16 N -4.71 4.11 0.00 1.29 0.04 -1.26 -2.52 135.00 131.95 2k87 s PRO 16 Ca 0.65 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.28 2k87 s PRO 16 Cb -0.21 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k87 s PRO 16 CO 0.58 -0.60 0.00 0.09 0.04 0.00 0.00 177.00 177.10 2k87 n ASN 17 N 1.55 -4.41 -4.70 6.66 3.02 -1.26 -4.69 115.26 111.42 2k87 n ASN 17 Ca 0.06 0.00 -0.62 0.00 -0.03 0.00 0.00 54.58 53.99 2k87 n ASN 17 Cb 0.38 -3.09 -0.08 0.00 -0.61 0.00 0.00 39.78 36.38 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 -1.05 -3.12 5.41 0.00 -1.05 -3.41 120.51 118.29 2k87 n ALA 18 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 2k87 n ALA 18 Cb 0.36 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.65 2k87 n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k87 s SER 19 N 2.80 -0.22 0.98 0.00 0.01 -1.22 -4.83 113.70 111.21 2k87 s SER 19 Ca 1.00 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 58.54 2k87 s SER 19 Cb -1.27 0.45 0.18 0.00 0.21 0.00 0.00 66.02 65.59 2k87 s SER 19 CO 0.71 -0.12 1.09 0.12 0.41 0.00 0.00 173.24 175.44 2k87 s PHE 20 N -0.08 1.77 0.20 2.43 5.36 -1.26 -2.42 117.98 123.99 2k87 s PHE 20 Ca -0.02 1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 57.39 2k87 s PHE 20 Cb -0.02 -3.20 -0.04 0.00 -0.34 0.00 0.00 43.02 39.42 2k87 s PHE 20 CO 0.01 -2.98 0.11 -0.51 -1.46 0.00 0.00 175.22 170.39 2k87 s ASP 21 N -2.86 0.34 0.00 6.13 1.01 -1.26 -4.85 116.67 115.17 2k87 s ASP 21 Ca 0.66 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 52.56 2k87 s ASP 21 Cb -0.22 0.33 0.00 0.00 1.01 0.00 0.00 42.92 44.04 2k87 s ASP 21 CO 0.60 -0.80 0.39 0.59 0.21 0.00 0.00 175.17 176.16 2k87 n ASN 22 N -0.27 0.92 -4.75 0.27 4.13 -1.26 -4.82 115.26 109.48 2k87 n ASN 22 Ca 0.00 -1.28 -0.36 0.00 1.68 0.00 0.00 54.58 54.63 2k87 n ASN 22 Cb 0.66 -0.32 0.03 0.00 -1.54 0.00 0.00 39.78 38.61 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 -0.70 2.39 0.09 3.10 -0.12 -1.26 -0.73 117.98 120.74 2k87 s PHE 23 Ca 0.00 1.51 0.02 0.00 -0.05 0.00 0.00 56.93 58.42 2k87 s PHE 23 Cb 0.00 -3.48 -0.04 0.00 -0.63 0.00 0.00 43.02 38.87 2k87 s PHE 23 CO 0.00 -2.22 0.15 0.21 -0.05 0.00 0.00 175.22 173.31 2k87 s LYS 24 N -3.34 3.14 0.18 1.99 2.20 0.19 -4.83 119.74 119.28 2k87 s LYS 24 Ca 0.77 -0.61 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 2k87 s LYS 24 Cb -0.30 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2k87 s LYS 24 CO 0.33 0.57 -0.10 -0.48 -0.36 0.00 0.00 175.35 175.31 2k87 s LEU 25 N -2.58 2.96 0.27 5.43 0.05 -1.26 -1.56 118.68 121.98 2k87 s LEU 25 Ca 0.32 -0.59 0.02 0.00 0.05 0.00 0.00 54.13 53.93 2k87 s LEU 25 Cb -0.12 -1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 42.34 2k87 s LEU 25 CO 0.25 0.10 0.15 0.42 -0.55 0.00 0.00 176.35 176.72 2k87 s THR 26 N -1.72 0.26 0.18 5.48 -4.23 0.71 -4.85 115.64 111.47 2k87 s THR 26 Ca 0.25 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.53 2k87 s THR 26 Cb -0.09 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.28 2k87 s THR 26 CO 0.15 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.94 2k87 n SER 28 N -0.40 0.00 -4.09 0.00 7.64 -0.91 -4.17 113.62 111.68 2k87 n SER 28 Ca -0.10 0.45 -0.32 0.00 1.01 0.00 0.00 58.87 59.91 2k87 n SER 28 Cb 0.62 -0.47 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 2k87 n SER 28 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k87 s ASN 29 N -2.94 2.92 0.08 6.43 3.84 -1.26 -5.06 114.94 118.95 2k87 s ASN 29 Ca 0.05 -0.57 -0.25 0.00 0.21 0.00 0.00 52.86 52.31 2k87 s ASN 29 Cb 0.07 -1.34 -0.16 0.00 -0.55 0.00 0.00 41.25 39.26 2k87 s ASN 29 CO 0.18 0.00 1.69 0.71 -2.79 0.00 0.00 177.10 176.89 2k87 h THR 30 N 5.95 0.92 -0.71 -5.21 1.35 -1.92 -2.69 112.91 110.60 2k87 h THR 30 Ca -0.40 -0.07 0.12 0.00 -0.55 0.00 0.00 66.41 65.52 2k87 h THR 30 Cb 1.15 0.97 -0.09 0.00 -1.73 0.00 0.00 68.15 68.45 2k87 h THR 30 CO 0.57 0.02 0.28 0.50 -0.25 0.00 0.00 175.52 176.64 2k87 h LYS 31 N -0.16 0.43 -0.19 4.72 1.63 -1.95 -0.21 116.57 120.85 2k87 h LYS 31 Ca -0.01 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 2k87 h LYS 31 Cb 0.13 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 2k87 h LYS 31 CO 0.02 0.29 -0.17 0.35 -3.45 0.00 0.00 179.45 176.49 2k87 h PHE 32 N 0.45 -0.43 -0.29 1.91 3.57 -1.70 0.97 116.94 121.41 2k87 h PHE 32 Ca 0.38 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 2k87 h PHE 32 Cb 0.54 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2k87 h PHE 32 CO -0.16 -0.24 -0.08 0.00 -2.23 0.00 0.00 178.31 175.59 2k87 h ALA 33 N 0.91 1.32 -0.12 2.41 0.00 -1.24 -2.81 119.26 119.72 2k87 h ALA 33 Ca 0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k87 h ALA 33 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k87 h ALA 33 CO -0.30 0.46 -0.19 0.22 0.00 0.00 0.00 179.25 179.44 2k87 h ASP 34 N 0.45 0.38 -0.48 0.00 3.58 0.62 0.50 116.42 121.46 2k87 h ASP 34 Ca 0.09 -0.53 0.02 0.00 0.42 0.00 0.00 57.03 57.03 2k87 h ASP 34 Cb 0.42 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2k87 h ASP 34 CO 0.02 0.84 0.29 -0.78 -2.88 0.00 0.00 179.24 176.73 2k87 h ASP 35 N -0.07 0.48 -0.43 2.28 1.82 -0.94 -0.20 116.42 119.37 2k87 h ASP 35 Ca 0.01 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2k87 h ASP 35 Cb 0.76 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.64 2k87 h ASP 35 CO 0.04 0.34 0.24 -0.07 -1.61 0.00 0.00 179.24 178.18 2k87 h LEU 36 N 0.59 0.37 -1.10 2.28 4.07 -1.38 -2.28 115.31 117.85 2k87 h LEU 36 Ca 0.19 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.07 2k87 h LEU 36 Cb -0.00 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2k87 h LEU 36 CO -0.08 0.26 -0.35 0.78 -1.08 0.00 0.00 178.44 177.98 2k87 h ASN 37 N 0.48 0.19 0.54 -0.43 2.35 -0.51 -2.47 115.58 115.73 2k87 h ASN 37 Ca 0.18 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2k87 h ASN 37 Cb 0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2k87 h ASN 37 CO -0.10 0.53 -0.08 1.56 -1.65 0.00 0.00 177.43 177.69 2k87 h GLN 38 N 0.16 0.00 0.12 0.81 1.08 -0.47 -0.28 115.11 116.52 2k87 h GLN 38 Ca 0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 2k87 h GLN 38 Cb 0.70 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2k87 h GLN 38 CO 0.05 0.08 -1.86 0.52 -0.95 0.00 0.00 178.83 176.67 2k87 h MET 39 N 0.00 0.24 -0.08 1.46 2.86 -1.11 -3.32 114.93 114.98 2k87 h MET 39 Ca -0.00 -0.42 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 2k87 h MET 39 Cb 0.37 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2k87 h MET 39 CO 0.01 1.11 -0.51 1.79 1.06 0.00 0.00 176.91 180.37 2k87 h THR 40 N 0.07 1.35 0.00 2.22 1.35 -1.38 -3.48 112.91 113.04 2k87 h THR 40 Ca -0.37 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2k87 h THR 40 Cb 2.04 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2k87 h THR 40 CO 0.11 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2k87 n GLY 41 N 0.03 0.93 3.52 5.82 0.00 -0.21 -5.01 105.19 110.26 2k87 n GLY 41 Ca -0.02 -0.04 -0.61 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.14 1.11 -4.74 1.61 7.35 -0.62 -4.98 117.46 115.05 2k87 n PHE 42 Ca 0.00 1.07 -0.26 0.00 -0.76 0.00 0.00 57.45 57.50 2k87 n PHE 42 Cb 0.00 -2.10 -0.16 0.00 0.35 0.00 0.00 39.48 37.57 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 1.31 1.34 0.79 -2.13 2.01 -1.26 -4.91 115.64 112.79 2k87 s THR 43 Ca 0.95 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 2k87 s THR 43 Cb -1.34 -1.19 0.07 0.00 0.01 0.00 0.00 72.50 70.05 2k87 s THR 43 CO 0.66 0.40 1.09 -0.54 -0.69 0.00 0.00 174.62 175.54 2k87 s LYS 44 N 0.47 2.13 0.10 4.92 1.02 -1.26 -4.06 119.74 123.06 2k87 s LYS 44 Ca -0.13 0.98 -0.31 0.00 0.02 0.00 0.00 55.97 56.54 2k87 s LYS 44 Cb -0.15 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 2k87 s LYS 44 CO 0.04 -1.68 1.22 -1.25 -0.92 0.00 0.00 175.35 172.77 2k87 s PRO 45 N -4.97 4.43 0.65 -1.68 0.05 -1.26 -5.13 135.00 127.09 2k87 s PRO 45 Ca 0.61 1.84 -0.16 0.00 0.05 0.00 0.00 61.00 63.34 2k87 s PRO 45 Cb -0.16 -3.31 -0.00 0.00 0.05 0.00 0.00 34.50 31.08 2k87 s PRO 45 CO 0.56 -0.24 1.15 0.00 0.05 0.00 0.00 177.00 178.52 2k87 s ALA 46 N 0.78 2.43 0.12 8.56 0.00 -1.26 -4.96 121.76 127.43 2k87 s ALA 46 Ca 0.58 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2k87 s ALA 46 Cb -0.31 -3.38 -0.20 0.00 0.00 0.00 0.00 23.12 19.23 2k87 s ALA 46 CO 0.31 -1.32 1.28 0.77 0.00 0.00 0.00 175.76 176.79 2k87 h SER 47 N 0.26 0.04 -5.11 0.00 0.02 -1.27 -3.49 113.55 104.00 2k87 h SER 47 Ca -0.48 -0.05 0.11 0.00 -0.84 0.00 0.00 61.79 60.54 2k87 h SER 47 Cb 1.27 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 2k87 h SER 47 CO 0.54 1.02 0.37 0.00 -1.14 0.00 0.00 176.83 177.62 2k87 s ARG 48 N -2.73 1.37 -0.12 3.45 1.04 -1.26 -5.00 118.95 115.70 2k87 s ARG 48 Ca 0.00 -0.72 -0.02 0.00 -1.04 0.00 0.00 55.73 53.96 2k87 s ARG 48 Cb 0.10 0.49 0.04 0.00 -2.04 0.00 0.00 34.95 33.54 2k87 s ARG 48 CO 0.82 -0.62 0.02 -1.21 -0.04 0.00 0.00 175.30 174.28 2k87 s GLU 49 N -3.53 0.56 0.50 3.89 2.02 -1.26 -0.64 118.70 120.23 2k87 s GLU 49 Ca 0.10 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.01 2k87 s GLU 49 Cb -0.03 -1.44 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2k87 s GLU 49 CO 0.01 -0.46 0.71 -0.51 0.02 0.00 0.00 175.26 175.04 2k87 s LEU 50 N 1.95 3.48 0.02 1.80 1.43 -0.60 -4.98 118.68 121.78 2k87 s LEU 50 Ca 0.03 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2k87 s LEU 50 Cb -0.14 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2k87 s LEU 50 CO -0.06 -0.91 -0.04 -0.44 0.23 0.00 0.00 176.35 175.13 2k87 s SER 51 N -4.32 0.45 -0.08 2.29 0.01 -1.26 -0.21 113.70 110.59 2k87 s SER 51 Ca 0.53 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 2k87 s SER 51 Cb -0.10 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2k87 s SER 51 CO 0.38 -0.19 -0.04 -0.69 0.41 0.00 0.00 173.24 173.11 2k87 s VAL 52 N -1.11 3.98 -0.05 3.43 1.01 0.20 -1.23 120.40 126.64 2k87 s VAL 52 Ca -0.10 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.57 2k87 s VAL 52 Cb -0.08 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2k87 s VAL 52 CO -0.00 0.60 -0.23 0.42 0.00 0.00 0.00 175.10 175.88 2k87 s THR 53 N -0.78 2.25 -0.02 3.92 -4.23 -1.02 -2.14 115.64 113.61 2k87 s THR 53 Ca 0.12 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 2k87 s THR 53 Cb -0.11 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 2k87 s THR 53 CO 0.02 0.57 0.99 -0.36 -0.54 0.00 0.00 174.62 175.31 2k87 s PHE 54 N -0.39 3.62 0.75 3.99 0.08 -1.26 -0.63 117.98 124.14 2k87 s PHE 54 Ca 0.03 1.67 -0.15 0.00 0.12 0.00 0.00 56.93 58.60 2k87 s PHE 54 Cb -0.12 -3.14 0.02 0.00 -0.57 0.00 0.00 43.02 39.20 2k87 s PHE 54 CO 0.02 -0.09 0.93 0.34 -0.10 0.00 0.00 175.22 176.32 2k87 n PHE 55 N 4.12 0.51 -2.46 0.36 7.35 -0.87 -2.55 117.46 123.92 2k87 n PHE 55 Ca 0.07 0.38 -0.39 0.00 -0.76 0.00 0.00 57.45 56.75 2k87 n PHE 55 Cb 0.50 -2.05 -0.03 0.00 0.35 0.00 0.00 39.48 38.25 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 -3.41 3.26 -0.23 -7.13 0.04 -1.26 -5.05 135.00 121.22 2k87 s PRO 56 Ca 0.72 -0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.07 2k87 s PRO 56 Cb -0.33 -4.83 0.09 0.00 0.04 0.00 0.00 34.50 29.47 2k87 s PRO 56 CO 0.52 -2.35 0.53 0.34 0.04 0.00 0.00 177.00 176.08 2k87 s ASP 57 N 5.11 -0.69 -0.31 6.66 2.15 -1.06 -5.08 116.67 123.46 2k87 s ASP 57 Ca 0.46 1.22 0.18 0.00 0.43 0.00 0.00 52.55 54.85 2k87 s ASP 57 Cb -0.05 1.40 0.46 0.00 -0.30 0.00 0.00 42.92 44.44 2k87 s ASP 57 CO 0.02 -0.22 1.02 0.00 -0.17 0.00 0.00 175.17 175.82 2k87 n LEU 58 N 4.82 1.19 -0.01 -1.34 -0.00 -1.26 -4.14 117.00 116.27 2k87 n LEU 58 Ca -0.16 -3.54 -0.10 0.00 -0.00 0.00 0.00 56.01 52.20 2k87 n LEU 58 Cb 0.53 0.41 -0.14 0.00 -0.00 0.00 0.00 43.42 44.22 2k87 n LEU 58 CO 0.01 1.48 -0.49 0.78 -0.00 0.00 0.00 177.39 179.17 2k87 h ASN 59 N 2.82 0.07 -3.34 1.45 2.35 -1.94 -3.49 115.58 113.50 2k87 h ASN 59 Ca -0.13 -0.14 -0.45 0.00 -0.55 0.00 0.00 56.30 55.03 2k87 h ASN 59 Cb 1.21 -0.02 0.22 0.00 0.05 0.00 0.00 38.32 39.77 2k87 h ASN 59 CO 0.39 1.12 0.00 0.61 -1.65 0.00 0.00 177.43 177.90 2k87 n GLY 60 N 1.59 -1.81 0.23 2.83 0.00 -1.26 -4.92 105.19 101.85 2k87 n GLY 60 Ca -0.17 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.84 2k87 n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k87 h ASP 61 N -2.60 0.00 -3.25 1.61 3.58 -1.78 -3.45 116.42 110.54 2k87 h ASP 61 Ca -0.59 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 56.41 2k87 h ASP 61 Cb 1.33 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.23 2k87 h ASP 61 CO 0.48 0.19 -0.73 -0.69 -2.88 0.00 0.00 179.24 175.61 2k87 s VAL 62 N -3.78 1.71 0.25 2.25 1.01 -0.36 -4.63 120.40 116.85 2k87 s VAL 62 Ca -0.00 -2.20 0.07 0.00 0.00 0.00 0.00 61.98 59.85 2k87 s VAL 62 Cb 0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2k87 s VAL 62 CO 0.62 -0.60 -0.10 -0.69 0.00 0.00 0.00 175.10 174.33 2k87 s VAL 63 N -2.97 1.71 0.05 2.92 1.01 -0.88 -2.43 120.40 119.81 2k87 s VAL 63 Ca 0.22 -2.17 0.07 0.00 0.00 0.00 0.00 61.98 60.10 2k87 s VAL 63 Cb -0.01 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2k87 s VAL 63 CO 0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 175.10 174.56 2k87 s ALA 64 N -2.98 1.66 0.01 5.51 0.00 0.19 -1.66 121.76 124.48 2k87 s ALA 64 Ca 0.27 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2k87 s ALA 64 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2k87 s ALA 64 CO 0.10 0.36 -0.18 0.42 0.00 0.00 0.00 175.76 176.46 2k87 s ILE 65 N -0.86 1.44 0.27 0.00 -1.09 0.37 -2.06 121.20 119.26 2k87 s ILE 65 Ca 0.06 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.30 2k87 s ILE 65 Cb -0.09 -1.22 -0.10 0.00 -1.58 0.00 0.00 42.46 39.47 2k87 s ILE 65 CO 0.02 0.31 1.39 -0.62 -1.23 0.00 0.00 174.94 174.81 2k87 s ASP 66 N -0.67 6.71 0.55 3.58 -1.08 -1.26 -1.19 116.67 123.29 2k87 s ASP 66 Ca 0.06 2.64 0.34 0.00 -0.52 0.00 0.00 52.55 55.08 2k87 s ASP 66 Cb -0.07 -2.63 1.16 0.00 -1.46 0.00 0.00 42.92 39.92 2k87 s ASP 66 CO 0.00 -0.64 1.31 0.00 0.52 0.00 0.00 175.17 176.36 2k87 n TYR 67 N 1.95 0.00 0.26 -5.34 9.36 -0.52 -1.79 117.16 121.09 2k87 n TYR 67 Ca 0.05 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.42 2k87 n TYR 67 Cb 0.41 -0.33 0.86 0.00 -0.63 0.00 0.00 39.34 39.64 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 0.00 -0.07 2.98 3.08 -1.90 0.11 114.38 118.58 2k87 h ARG 68 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 2k87 h ARG 68 Cb 3.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.12 2k87 h ARG 68 CO -0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.61 2k87 n HIS 69 N -3.92 0.09 -2.08 3.04 8.25 -0.74 -4.77 115.22 115.09 2k87 n HIS 69 Ca -0.01 -0.04 -0.32 0.00 -0.26 0.00 0.00 57.72 57.08 2k87 n HIS 69 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 2k87 n HIS 69 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k87 n TYR 70 N -0.28 3.03 -3.10 4.41 9.36 0.39 -4.93 117.16 126.04 2k87 n TYR 70 Ca 0.15 -1.77 -0.28 0.00 3.32 0.00 0.00 57.90 59.33 2k87 n TYR 70 Cb 0.19 -2.55 -0.02 0.00 -0.63 0.00 0.00 39.34 36.33 2k87 n TYR 70 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k87 s SER 71 N 5.88 6.40 0.01 2.98 0.01 -1.26 -5.00 113.70 122.72 2k87 s SER 71 Ca 0.65 0.81 0.07 0.00 1.31 0.00 0.00 55.95 58.79 2k87 s SER 71 Cb 0.02 -2.19 0.31 0.00 0.21 0.00 0.00 66.02 64.37 2k87 s SER 71 CO 0.12 -0.33 1.23 0.00 0.41 0.00 0.00 173.24 174.67 2k87 n ALA 72 N -1.41 1.32 -0.12 1.44 0.00 -1.26 -1.15 120.51 119.33 2k87 n ALA 72 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 2k87 n ALA 72 Cb 0.54 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.75 -0.04 0.00 0.02 -1.97 -3.19 113.55 107.62 2k87 h SER 73 Ca 0.00 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2k87 h SER 73 Cb 0.12 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k87 h SER 73 CO 0.00 -0.25 0.00 0.49 -1.14 0.00 0.00 176.83 175.93 2k87 n PHE 74 N -5.39 0.14 -0.00 3.45 3.72 -0.30 -4.43 117.46 114.64 2k87 n PHE 74 Ca 0.02 -0.10 0.02 0.00 -0.05 0.00 0.00 57.45 57.34 2k87 n PHE 74 Cb 0.30 -0.14 0.35 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.23 0.54 -0.40 -1.08 1.63 -1.74 -2.19 116.57 113.57 2k87 h LYS 75 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2k87 h LYS 75 Cb 0.64 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2k87 h LYS 75 CO 0.03 0.48 0.00 1.63 -3.45 0.00 0.00 179.45 178.14 2k87 n LYS 76 N -4.36 2.76 0.00 1.90 5.02 -1.26 -4.95 118.16 117.27 2k87 n LYS 76 Ca 0.02 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 2k87 n LYS 76 Cb 0.17 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 0.73 3.23 3.61 0.72 0.00 -0.82 -4.23 105.19 108.43 2k87 n GLY 77 Ca 0.14 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.00 -1.02 0.26 4.61 0.00 -1.26 -1.63 121.76 120.71 2k87 s ALA 78 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2k87 s ALA 78 Cb 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2k87 s ALA 78 CO 0.00 -0.87 0.39 -1.59 0.00 0.00 0.00 175.76 173.68 2k87 s LYS 79 N -3.89 1.56 0.00 0.00 -2.85 -0.02 -3.96 119.74 110.58 2k87 s LYS 79 Ca 0.10 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 2k87 s LYS 79 Cb -0.02 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 2k87 s LYS 79 CO 0.00 -0.62 0.00 -0.11 0.10 0.00 0.00 175.35 174.72 2k87 n LEU 80 N -0.41 0.00 -0.40 2.77 0.00 0.47 -1.04 117.00 118.40 2k87 n LEU 80 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 2k87 n LEU 80 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.01 2k87 n LEU 80 CO 0.27 -0.00 0.53 0.25 0.00 0.00 0.00 177.39 178.44 2k87 h LEU 81 N 0.00 -1.82 0.00 -1.96 6.46 -1.86 -3.30 115.31 112.83 2k87 h LEU 81 Ca 0.00 0.32 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2k87 h LEU 81 Cb 0.00 0.86 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2k87 h LEU 81 CO 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 178.44 177.56 2k87 n HIS 82 N -5.35 0.00 -4.25 1.25 1.44 -1.26 -5.13 115.22 101.92 2k87 n HIS 82 Ca 0.06 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.48 2k87 n HIS 82 Cb 0.33 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.34 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 2.11 0.71 -1.40 1.02 -1.24 -5.12 119.74 115.82 2k87 s LYS 83 Ca 0.00 -1.14 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 2k87 s LYS 83 Cb 0.00 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2k87 s LYS 83 CO 0.00 0.47 1.07 -1.25 -0.92 0.00 0.00 175.35 174.72 2k87 s PRO 84 N -2.53 2.78 0.21 -1.68 0.04 -1.26 -0.39 135.00 132.17 2k87 s PRO 84 Ca 0.23 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.15 2k87 s PRO 84 Cb -0.10 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2k87 s PRO 84 CO 0.15 -1.17 -0.08 0.96 0.04 0.00 0.00 177.00 176.90 2k87 s ILE 85 N -3.11 1.37 0.02 0.56 -5.25 -1.25 -2.07 121.20 111.46 2k87 s ILE 85 Ca 0.58 -2.11 -0.02 0.00 -0.99 0.00 0.00 60.65 58.11 2k87 s ILE 85 Cb -0.14 -2.15 -0.01 0.00 2.95 0.00 0.00 42.46 43.11 2k87 s ILE 85 CO 0.54 -0.50 0.03 0.68 -1.79 0.00 0.00 174.94 173.90 2k87 s VAL 86 N -3.20 0.10 0.06 8.37 -7.23 -0.67 -4.87 120.40 112.97 2k87 s VAL 86 Ca 0.24 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2k87 s VAL 86 Cb 0.03 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 2k87 s VAL 86 CO 0.07 -0.47 0.96 0.26 -0.31 0.00 0.00 175.10 175.61 2k87 s TRP 87 N -1.51 3.74 0.18 2.82 0.52 -1.26 -0.48 118.94 122.96 2k87 s TRP 87 Ca -0.15 1.74 0.11 0.00 0.02 0.00 0.00 56.10 57.82 2k87 s TRP 87 Cb -0.09 -3.08 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 2k87 s TRP 87 CO -0.00 0.11 -0.23 -3.38 0.02 0.00 0.00 176.95 173.46 2k87 s HIS 88 N 0.47 2.18 -0.14 -1.98 -3.43 -0.34 -4.86 115.29 107.19 2k87 s HIS 88 Ca 0.49 -0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 54.35 2k87 s HIS 88 Cb -0.22 -1.09 0.04 0.00 -1.43 0.00 0.00 32.58 29.88 2k87 s HIS 88 CO 0.29 0.44 -0.00 0.42 -2.00 0.00 0.00 174.74 173.89 2k87 s ILE 89 N -1.68 0.63 -1.53 -5.38 1.01 -0.56 -1.44 121.20 112.24 2k87 s ILE 89 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2k87 s ILE 89 Cb -0.08 -0.91 0.07 0.00 0.01 0.00 0.00 42.46 41.55 2k87 s ILE 89 CO 0.09 0.06 0.64 -0.46 0.00 0.00 0.00 174.94 175.27 2k87 n ASN 90 N 5.04 -2.07 -1.25 3.58 2.04 -1.26 -0.04 115.26 121.30 2k87 n ASN 90 Ca -0.09 -0.97 -0.15 0.00 -0.44 0.00 0.00 54.58 52.92 2k87 n ASN 90 Cb 0.48 -3.09 -0.07 0.00 -2.53 0.00 0.00 39.78 34.58 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 -4.43 -1.54 -4.63 -3.83 6.02 -1.26 -4.96 117.38 102.74 2k87 n GLN 91 Ca -0.12 1.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.58 2k87 n GLN 91 Cb 0.59 -5.35 -0.08 0.00 1.02 0.00 0.00 30.24 26.42 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 -2.29 3.51 0.12 -1.58 0.00 0.95 -4.46 121.76 118.02 2k87 s ALA 92 Ca 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.31 2k87 s ALA 92 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2k87 s ALA 92 CO 0.00 -0.20 -0.26 -0.08 0.00 0.00 0.00 175.76 175.22 2k87 s THR 93 N -3.06 2.17 0.45 0.00 -1.32 -1.26 -1.49 115.64 111.13 2k87 s THR 93 Ca 0.14 -1.69 0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2k87 s THR 93 Cb 0.01 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 69.03 2k87 s THR 93 CO 0.09 0.10 0.02 0.42 -2.21 0.00 0.00 174.62 173.04 2k87 s THR 94 N -1.05 1.51 0.54 5.08 -4.23 -1.26 -4.99 115.64 111.24 2k87 s THR 94 Ca 0.13 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 2k87 s THR 94 Cb -0.10 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.51 2k87 s THR 94 CO 0.05 0.00 2.04 0.11 -0.54 0.00 0.00 174.62 176.29 2k87 h LYS 95 N 1.62 0.00 -0.14 3.99 6.56 -2.02 -0.42 116.57 126.16 2k87 h LYS 95 Ca -0.43 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.02 2k87 h LYS 95 Cb 1.27 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 2k87 h LYS 95 CO 0.76 0.00 -0.52 1.15 -2.06 0.00 0.00 179.45 178.78 2k87 h THR 96 N 0.00 1.34 0.00 -0.16 2.02 -2.02 -2.67 112.91 111.42 2k87 h THR 96 Ca 0.17 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2k87 h THR 96 Cb 0.71 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2k87 h THR 96 CO -0.00 0.54 -0.43 0.35 0.37 0.00 0.00 175.52 176.34 2k87 n THR 97 N -3.95 0.15 -0.05 3.16 -2.24 -0.65 -4.19 114.28 106.51 2k87 n THR 97 Ca -0.02 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2k87 n THR 97 Cb 0.57 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.00 0.35 -0.57 4.78 3.57 -0.76 -0.54 116.94 123.78 2k87 h PHE 98 Ca 0.00 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k87 h PHE 98 Cb 0.59 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2k87 h PHE 98 CO 0.00 0.69 0.34 0.87 -2.23 0.00 0.00 178.31 177.98 2k87 h LYS 99 N -0.10 0.77 -0.18 1.11 1.57 -1.70 -1.57 116.57 116.48 2k87 h LYS 99 Ca 0.02 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2k87 h LYS 99 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2k87 h LYS 99 CO 0.03 0.56 -0.44 -1.00 -0.57 0.00 0.00 179.45 178.04 2k87 h PRO 100 N 0.76 0.43 -0.82 3.15 0.13 -1.76 -3.36 132.00 130.53 2k87 h PRO 100 Ca 0.20 -0.22 0.14 0.00 -0.87 0.00 0.00 66.00 65.25 2k87 h PRO 100 Cb -0.01 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2k87 h PRO 100 CO -0.04 0.78 0.41 -0.97 -0.23 0.00 0.00 178.00 177.95 2k87 h ASN 101 N 0.35 0.48 0.64 1.44 -0.73 -0.08 -2.17 115.58 115.52 2k87 h ASN 101 Ca 0.03 0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 2k87 h ASN 101 Cb 0.91 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 2k87 h ASN 101 CO 0.08 0.21 -0.22 0.71 -0.37 0.00 0.00 177.43 177.84 2k87 h THR 102 N 0.59 0.67 0.00 -3.57 1.35 -1.61 0.40 112.91 110.74 2k87 h THR 102 Ca 0.44 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2k87 h THR 102 Cb 0.62 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2k87 h THR 102 CO -0.36 0.22 0.00 0.79 -0.25 0.00 0.00 175.52 175.92 2k87 n TRP 103 N -3.57 0.64 -0.04 4.73 7.02 -0.82 -0.52 117.44 124.89 2k87 n TRP 103 Ca -0.01 0.29 0.04 0.00 -1.02 0.00 0.00 57.50 56.80 2k87 n TRP 103 Cb 0.37 -0.97 -0.16 0.00 -2.42 0.00 0.00 31.31 28.12 2k87 n TRP 103 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k87 h LEU 105 N 0.00 0.41 -1.72 0.00 -0.00 -1.29 -3.37 115.31 109.34 2k87 h LEU 105 Ca -0.18 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 56.76 2k87 h LEU 105 Cb 1.41 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2k87 h LEU 105 CO 0.01 1.38 0.00 0.03 -0.00 0.00 0.00 178.44 179.86 2k87 h ARG 106 N -0.43 0.00 0.00 1.13 3.08 -0.90 0.18 114.38 117.44 2k87 h ARG 106 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2k87 h ARG 106 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 2k87 h ARG 106 CO 0.13 0.00 -0.73 0.00 -1.07 0.00 0.00 179.97 178.30 2k87 n LEU 108 N -2.36 0.64 -4.72 0.00 4.77 0.60 -4.91 117.00 111.01 2k87 n LEU 108 Ca 0.02 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 2k87 n LEU 108 Cb 0.48 -0.10 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 2k87 n LEU 108 CO 0.38 -0.03 0.77 0.26 -1.33 0.00 0.00 177.39 177.43 2k87 s TRP 109 N -3.26 2.04 -0.38 -1.77 0.52 -0.89 -5.00 118.94 110.21 2k87 s TRP 109 Ca 0.02 1.63 0.10 0.00 0.02 0.00 0.00 56.10 57.87 2k87 s TRP 109 Cb 0.13 -3.40 0.44 0.00 -1.15 0.00 0.00 33.47 29.49 2k87 s TRP 109 CO 0.79 -2.53 1.08 0.43 0.02 0.00 0.00 176.95 176.74 2k87 n SER 110 N -3.03 3.72 -0.29 2.95 7.64 -1.01 -4.77 113.62 118.83 2k87 n SER 110 Ca 0.13 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2k87 n SER 110 Cb 0.51 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2k87 n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k87 n THR 111 N -0.41 0.00 -3.47 0.44 -2.24 -1.25 -4.80 114.28 102.55 2k87 n THR 111 Ca 0.30 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.89 2k87 n THR 111 Cb 0.75 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 2k87 n THR 111 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k87 s LYS 112 N 0.00 0.23 0.92 -0.78 2.36 -1.22 -3.45 119.74 117.80 2k87 s LYS 112 Ca 0.00 0.02 -0.12 0.00 -2.55 0.00 0.00 55.97 53.32 2k87 s LYS 112 Cb 0.00 -1.03 0.14 0.00 -1.05 0.00 0.00 37.83 35.89 2k87 s LYS 112 CO 0.00 -0.81 1.12 -1.25 1.55 0.00 0.00 175.35 175.96 2k87 s PRO 113 N 2.31 1.08 -1.50 4.03 0.04 -1.26 -3.83 135.00 135.88 2k87 s PRO 113 Ca 0.08 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 2k87 s PRO 113 Cb -0.15 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.71 2k87 s PRO 113 CO -0.21 -2.26 0.61 1.55 0.04 0.00 0.00 177.00 176.73 2k87 n VAL 114 N -3.83 -0.71 -2.73 -0.36 3.14 -1.26 -4.86 118.33 107.72 2k87 n VAL 114 Ca 0.06 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.41 2k87 n VAL 114 Cb 0.58 -1.33 0.08 0.00 -1.06 0.00 0.00 33.84 32.11 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2k87 n ASP 115 N -2.42 0.20 0.00 6.55 2.03 -1.25 -5.35 116.55 116.31 2k87 n ASP 115 Ca 0.06 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.07 2k87 n ASP 115 Cb 0.49 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69