#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 0.01 -0.06 2.03 2.02 -1.26 -5.03 117.35 115.06 2k87 s TYR 2 Ca 0.00 -0.21 0.20 0.00 -0.37 0.00 0.00 57.07 56.69 2k87 s TYR 2 Cb 0.00 0.00 0.40 0.00 -0.40 0.00 0.00 41.96 41.97 2k87 s TYR 2 CO 0.00 -0.45 1.18 2.41 -1.57 0.00 0.00 175.55 177.12 2k87 n THR 3 N 0.66 0.67 -0.82 -0.71 -1.04 -1.26 -5.10 114.28 106.68 2k87 n THR 3 Ca -0.19 -1.62 -0.29 0.00 -2.04 0.00 0.00 64.05 59.91 2k87 n THR 3 Cb 0.59 0.59 0.24 0.00 -1.82 0.00 0.00 70.33 69.93 2k87 n THR 3 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k87 s GLU 4 N -0.99 -1.03 0.85 -2.82 -6.30 -1.26 -5.02 118.70 102.13 2k87 s GLU 4 Ca 0.33 0.38 -0.12 0.00 -2.50 0.00 0.00 54.97 53.06 2k87 s GLU 4 Cb 0.36 -1.58 0.10 0.00 0.00 0.00 0.00 34.13 33.02 2k87 s GLU 4 CO -0.13 -3.68 1.17 1.04 0.02 0.00 0.00 175.26 173.68 2k87 n GLN 5 N -4.82 -0.03 -1.73 4.30 6.02 -1.26 -5.00 117.38 114.86 2k87 n GLN 5 Ca 0.07 0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 2k87 n GLN 5 Cb 0.57 -2.41 0.05 0.00 1.02 0.00 0.00 30.24 29.48 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k87 s PRO 6 N -4.26 2.85 -1.10 -1.09 0.04 -1.26 -4.89 135.00 125.29 2k87 s PRO 6 Ca 0.71 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 2k87 s PRO 6 Cb -0.27 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2k87 s PRO 6 CO 0.53 -1.20 1.95 0.42 0.04 0.00 0.00 177.00 178.75 2k87 s ILE 7 N -2.52 3.49 0.00 0.56 1.01 -1.26 -3.69 121.20 118.79 2k87 s ILE 7 Ca 0.64 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2k87 s ILE 7 Cb -0.18 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.92 2k87 s ILE 7 CO 0.44 -0.93 0.00 -0.67 0.00 0.00 0.00 174.94 173.78 2k87 n ASP 8 N 14.57 -0.31 -4.72 3.58 -0.08 -1.26 -4.83 116.55 123.50 2k87 n ASP 8 Ca 0.43 0.16 -0.40 0.00 -1.51 0.00 0.00 54.79 53.47 2k87 n ASP 8 Cb 0.47 -0.60 -0.04 0.00 2.34 0.00 0.00 41.12 43.28 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 -2.71 4.33 -0.00 -2.67 2.96 -1.24 -4.34 118.68 115.00 2k87 s LEU 9 Ca 0.00 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 2k87 s LEU 9 Cb 0.00 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 2k87 s LEU 9 CO 0.00 -0.13 -0.07 0.68 -1.32 0.00 0.00 176.35 175.51 2k87 s VAL 10 N 0.80 0.52 0.97 1.68 -7.23 -0.73 -4.91 120.40 111.51 2k87 s VAL 10 Ca 0.39 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 2k87 s VAL 10 Cb -0.18 -0.45 0.18 0.00 0.56 0.00 0.00 36.38 36.48 2k87 s VAL 10 CO 0.20 0.10 1.09 -2.84 -0.31 0.00 0.00 175.10 173.33 2k87 s PRO 11 N -0.28 0.60 0.33 4.82 0.02 -1.26 -0.71 135.00 138.51 2k87 s PRO 11 Ca 0.02 1.00 0.03 0.00 0.02 0.00 0.00 61.00 62.07 2k87 s PRO 11 Cb -0.03 -1.72 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 2k87 s PRO 11 CO -0.00 -2.75 0.34 -0.08 -0.33 0.00 0.00 177.00 174.18 2k87 s THR 12 N -2.74 0.00 0.03 0.99 -1.32 -1.00 -4.64 115.64 106.96 2k87 s THR 12 Ca 0.66 -1.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.33 2k87 s THR 12 Cb -0.21 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 2k87 s THR 12 CO 0.59 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.85 2k87 s GLN 13 N -3.35 1.06 0.39 7.08 -2.07 -1.26 -4.24 119.66 117.27 2k87 s GLN 13 Ca 0.37 -0.73 -0.25 0.00 -1.82 0.00 0.00 55.36 52.93 2k87 s GLN 13 Cb 0.02 -1.08 -0.09 0.00 -1.09 0.00 0.00 33.01 30.77 2k87 s GLN 13 CO 0.24 0.28 1.14 -1.25 -1.32 0.00 0.00 175.29 174.38 2k87 s PRO 14 N -0.96 4.14 0.68 9.60 0.04 -1.26 -4.92 135.00 142.32 2k87 s PRO 14 Ca 0.03 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 2k87 s PRO 14 Cb -0.07 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.77 2k87 s PRO 14 CO 0.01 -0.23 1.24 -0.51 0.04 0.00 0.00 177.00 177.55 2k87 s LEU 15 N -2.40 3.45 0.49 -3.56 2.01 -1.26 -4.96 118.68 112.44 2k87 s LEU 15 Ca 0.56 2.46 -0.23 0.00 0.01 0.00 0.00 54.13 56.93 2k87 s LEU 15 Cb -0.29 -4.60 -0.07 0.00 0.01 0.00 0.00 46.19 41.24 2k87 s LEU 15 CO 0.37 -2.09 1.26 -2.16 1.01 0.00 0.00 176.35 174.74 2k87 s PRO 16 N -3.64 3.54 0.00 1.29 0.04 -1.26 -2.88 135.00 132.10 2k87 s PRO 16 Ca 0.78 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2k87 s PRO 16 Cb -0.32 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2k87 s PRO 16 CO 0.42 -0.79 0.00 0.09 0.04 0.00 0.00 177.00 176.75 2k87 n ASN 17 N -0.61 0.00 -4.44 6.66 3.02 -1.26 -4.88 115.26 113.75 2k87 n ASN 17 Ca 0.08 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.11 2k87 n ASN 17 Cb 0.46 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.17 -3.14 -3.37 5.41 0.00 -1.14 -4.69 120.51 113.75 2k87 n ALA 18 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 2k87 n ALA 18 Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.64 -0.45 0.50 0.00 1.04 0.07 -4.94 113.70 109.28 2k87 s SER 19 Ca 0.74 0.37 -0.21 0.00 0.48 0.00 0.00 55.95 57.33 2k87 s SER 19 Cb -1.05 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 65.46 2k87 s SER 19 CO 0.56 -0.60 1.12 0.12 0.98 0.00 0.00 173.24 175.43 2k87 s PHE 20 N -1.62 2.81 0.00 5.02 5.36 -1.26 -1.58 117.98 126.72 2k87 s PHE 20 Ca -0.10 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2k87 s PHE 20 Cb -0.02 -3.27 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 2k87 s PHE 20 CO 0.05 -1.40 0.00 -3.47 -1.46 0.00 0.00 175.22 168.94 2k87 n ASP 21 N -0.95 1.48 -0.81 6.13 2.03 -1.26 -4.87 116.55 118.29 2k87 n ASP 21 Ca 0.10 -0.08 0.07 0.00 0.52 0.00 0.00 54.79 55.40 2k87 n ASP 21 Cb 0.50 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.11 2k87 n ASP 21 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k87 n ASN 22 N -0.12 2.36 -4.77 1.67 4.13 -1.26 -4.97 115.26 112.30 2k87 n ASN 22 Ca 0.00 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.86 2k87 n ASN 22 Cb 0.00 -0.29 -0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2k87 n ASN 22 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2k87 n PHE 23 N 0.79 2.97 -3.76 3.10 1.16 -1.26 -0.46 117.46 120.00 2k87 n PHE 23 Ca 0.15 0.43 -0.24 0.00 -1.87 0.00 0.00 57.45 55.92 2k87 n PHE 23 Cb 0.38 -2.54 -0.02 0.00 -1.61 0.00 0.00 39.48 35.69 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 -1.96 3.47 0.16 3.97 2.20 -0.30 -4.85 119.74 122.43 2k87 s LYS 24 Ca 0.54 -0.52 0.10 0.00 -0.36 0.00 0.00 55.97 55.74 2k87 s LYS 24 Cb -0.48 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2k87 s LYS 24 CO 0.62 0.38 -0.21 -0.48 -0.36 0.00 0.00 175.35 175.30 2k87 s LEU 25 N -3.73 2.56 0.38 5.43 0.05 -1.26 -1.29 118.68 120.81 2k87 s LEU 25 Ca 0.37 -0.72 0.04 0.00 0.05 0.00 0.00 54.13 53.87 2k87 s LEU 25 Cb -0.10 -1.35 -0.05 0.00 -2.05 0.00 0.00 46.19 42.64 2k87 s LEU 25 CO 0.30 0.15 0.07 0.42 -0.55 0.00 0.00 176.35 176.74 2k87 s THR 26 N -1.40 1.10 0.16 5.48 -4.23 0.39 -4.77 115.64 112.36 2k87 s THR 26 Ca 0.19 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.45 2k87 s THR 26 Cb -0.09 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.22 2k87 s THR 26 CO 0.10 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.15 2k87 h SER 28 N 2.00 -1.12 -3.61 0.00 4.64 -1.99 -3.35 113.55 110.13 2k87 h SER 28 Ca -0.25 0.19 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 2k87 h SER 28 Cb 1.23 0.51 -0.07 0.00 -0.31 0.00 0.00 62.40 63.76 2k87 h SER 28 CO 0.27 -0.33 0.91 0.21 -0.87 0.00 0.00 176.83 177.01 2k87 s ASN 29 N -5.05 6.71 0.21 4.97 2.47 -1.26 -4.92 114.94 118.07 2k87 s ASN 29 Ca -0.15 0.62 -0.10 0.00 0.42 0.00 0.00 52.86 53.66 2k87 s ASN 29 Cb 0.13 -2.55 0.20 0.00 -1.45 0.00 0.00 41.25 37.58 2k87 s ASN 29 CO 0.67 -1.16 1.84 0.71 -3.72 0.00 0.00 177.10 175.44 2k87 h THR 30 N 6.10 1.07 -0.67 -5.21 1.35 -1.94 -2.71 112.91 110.91 2k87 h THR 30 Ca -0.22 -0.28 0.14 0.00 -0.55 0.00 0.00 66.41 65.50 2k87 h THR 30 Cb 1.06 0.18 -0.12 0.00 -1.73 0.00 0.00 68.15 67.54 2k87 h THR 30 CO 1.10 0.15 -0.08 0.50 -0.25 0.00 0.00 175.52 176.94 2k87 h LYS 31 N 0.82 0.05 0.55 4.72 1.63 -1.92 0.31 116.57 122.73 2k87 h LYS 31 Ca 0.28 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 2k87 h LYS 31 Cb 0.05 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2k87 h LYS 31 CO -0.12 0.03 -0.50 0.35 -3.45 0.00 0.00 179.45 175.76 2k87 h PHE 32 N 0.05 -1.39 -0.44 1.91 3.57 -1.68 0.62 116.94 119.58 2k87 h PHE 32 Ca 0.34 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 2k87 h PHE 32 Cb 0.55 0.53 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2k87 h PHE 32 CO -0.46 -0.69 0.19 0.00 -2.23 0.00 0.00 178.31 175.13 2k87 h ALA 33 N -0.91 1.51 -0.02 2.41 0.00 -1.39 -1.42 119.26 119.44 2k87 h ALA 33 Ca -0.07 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 2k87 h ALA 33 Cb 0.89 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k87 h ALA 33 CO -0.04 0.38 -0.88 0.22 0.00 0.00 0.00 179.25 178.94 2k87 h ASP 34 N 0.62 0.81 -0.67 0.00 3.58 -0.68 -0.36 116.42 119.71 2k87 h ASP 34 Ca 0.15 -0.73 -0.02 0.00 0.42 0.00 0.00 57.03 56.86 2k87 h ASP 34 Cb 0.10 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 2k87 h ASP 34 CO -0.02 1.43 0.36 0.44 -2.88 0.00 0.00 179.24 178.57 2k87 h ASP 35 N 0.28 0.87 0.09 2.28 5.19 -0.56 0.53 116.42 125.10 2k87 h ASP 35 Ca -0.10 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2k87 h ASP 35 Cb 1.54 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2k87 h ASP 35 CO 0.17 0.71 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.89 2k87 h LEU 36 N 0.97 -0.10 -1.84 1.55 3.38 -1.24 -3.07 115.31 114.95 2k87 h LEU 36 Ca 0.24 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2k87 h LEU 36 Cb 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2k87 h LEU 36 CO -0.04 0.24 0.23 0.78 0.09 0.00 0.00 178.44 179.74 2k87 h ASN 37 N -0.46 0.17 -0.36 -0.43 2.35 -0.69 -0.68 115.58 115.48 2k87 h ASN 37 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2k87 h ASN 37 Cb 0.38 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2k87 h ASN 37 CO 0.02 0.11 -0.01 1.56 -1.65 0.00 0.00 177.43 177.46 2k87 h GLN 38 N 0.19 0.74 -0.12 0.81 1.08 -0.88 -1.06 115.11 115.88 2k87 h GLN 38 Ca 0.15 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2k87 h GLN 38 Cb 0.35 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2k87 h GLN 38 CO -0.02 0.76 -0.24 0.52 -0.95 0.00 0.00 178.83 178.90 2k87 h MET 39 N 0.70 0.37 -0.00 1.46 2.86 -1.03 -3.26 114.93 116.02 2k87 h MET 39 Ca 0.14 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2k87 h MET 39 Cb 0.45 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2k87 h MET 39 CO 0.02 0.84 -0.13 -2.37 1.06 0.00 0.00 176.91 176.32 2k87 n THR 40 N -4.48 0.00 -2.86 2.22 5.66 -1.08 -4.94 114.28 108.80 2k87 n THR 40 Ca -0.07 -0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 2k87 n THR 40 Cb 0.43 -0.22 0.03 0.00 -1.55 0.00 0.00 70.33 69.03 2k87 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k87 n GLY 41 N 1.40 0.32 3.75 1.09 0.00 -0.52 -5.00 105.19 106.22 2k87 n GLY 41 Ca 0.10 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2k87 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k87 s PHE 42 N -3.06 2.86 0.01 1.61 5.36 -0.52 -5.03 117.98 119.22 2k87 s PHE 42 Ca 0.21 0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 57.00 2k87 s PHE 42 Cb -0.09 -3.98 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 2k87 s PHE 42 CO 0.26 -3.29 0.05 0.99 -1.46 0.00 0.00 175.22 171.78 2k87 s THR 43 N 0.07 0.10 0.56 0.12 2.01 -1.26 -4.86 115.64 112.38 2k87 s THR 43 Ca 0.62 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 2k87 s THR 43 Cb -0.46 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2k87 s THR 43 CO 0.45 -0.44 0.96 -0.54 -0.69 0.00 0.00 174.62 174.36 2k87 s LYS 44 N -1.43 3.67 0.19 4.92 1.02 -1.26 -4.17 119.74 122.68 2k87 s LYS 44 Ca -0.15 0.68 -0.30 0.00 0.02 0.00 0.00 55.97 56.22 2k87 s LYS 44 Cb -0.09 -2.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2k87 s LYS 44 CO 0.00 -0.41 1.13 -1.25 -0.92 0.00 0.00 175.35 173.91 2k87 s PRO 45 N -4.78 4.56 0.58 -1.68 0.04 -1.26 -5.13 135.00 127.32 2k87 s PRO 45 Ca 0.54 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 2k87 s PRO 45 Cb -0.11 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2k87 s PRO 45 CO 0.46 0.04 1.13 0.00 0.04 0.00 0.00 177.00 178.67 2k87 s ALA 46 N -0.31 2.62 0.04 8.56 0.00 -1.26 -4.95 121.76 126.47 2k87 s ALA 46 Ca 0.50 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 2k87 s ALA 46 Cb -0.31 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 2k87 s ALA 46 CO 0.36 -0.93 1.35 1.03 0.00 0.00 0.00 175.76 177.57 2k87 h SER 47 N 0.85 0.41 -5.25 0.00 0.87 -1.09 -3.48 113.55 105.85 2k87 h SER 47 Ca -0.49 -0.48 -0.11 0.00 -1.23 0.00 0.00 61.79 59.48 2k87 h SER 47 Cb 1.26 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 2k87 h SER 47 CO 0.56 0.80 -0.01 0.00 -0.53 0.00 0.00 176.83 177.65 2k87 s ARG 48 N -4.32 1.88 -0.31 2.24 1.70 -1.26 -4.94 118.95 113.93 2k87 s ARG 48 Ca -0.14 -1.45 0.01 0.00 -0.47 0.00 0.00 55.73 53.68 2k87 s ARG 48 Cb 0.05 0.52 0.09 0.00 -0.57 0.00 0.00 34.95 35.04 2k87 s ARG 48 CO 0.76 -0.82 0.06 -1.21 -1.08 0.00 0.00 175.30 173.01 2k87 s GLU 49 N -3.22 1.15 0.89 3.89 2.02 -1.26 -1.15 118.70 121.02 2k87 s GLU 49 Ca 0.22 -1.40 -0.12 0.00 0.02 0.00 0.00 54.97 53.70 2k87 s GLU 49 Cb -0.02 -2.58 0.12 0.00 0.10 0.00 0.00 34.13 31.75 2k87 s GLU 49 CO 0.13 -0.91 1.10 -0.51 0.02 0.00 0.00 175.26 175.09 2k87 s LEU 50 N 1.29 2.23 -0.06 1.80 1.43 -0.41 -4.92 118.68 120.03 2k87 s LEU 50 Ca 0.08 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.53 2k87 s LEU 50 Cb -0.18 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.28 2k87 s LEU 50 CO -0.15 -2.56 0.14 -0.44 0.23 0.00 0.00 176.35 173.57 2k87 s SER 51 N -3.57 -0.05 0.50 2.29 0.01 -1.26 -0.46 113.70 111.17 2k87 s SER 51 Ca 0.63 0.28 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 2k87 s SER 51 Cb -0.17 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 2k87 s SER 51 CO 0.56 -0.15 0.82 -0.69 0.41 0.00 0.00 173.24 174.19 2k87 s VAL 52 N 1.24 4.81 0.05 3.43 1.01 0.15 -0.72 120.40 130.37 2k87 s VAL 52 Ca -0.08 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 2k87 s VAL 52 Cb -0.12 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2k87 s VAL 52 CO -0.06 -0.86 -0.04 0.42 0.00 0.00 0.00 175.10 174.56 2k87 s THR 53 N -2.81 0.28 -0.22 3.92 -4.23 -0.99 -4.43 115.64 107.15 2k87 s THR 53 Ca 0.49 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2k87 s THR 53 Cb -0.10 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.47 2k87 s THR 53 CO 0.46 -0.87 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.20 2k87 s PHE 54 N -3.36 2.98 0.69 3.99 0.08 -1.25 -1.16 117.98 119.95 2k87 s PHE 54 Ca 0.03 -1.57 -0.16 0.00 0.12 0.00 0.00 56.93 55.34 2k87 s PHE 54 Cb 0.04 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2k87 s PHE 54 CO -0.07 -0.74 0.99 0.34 -0.10 0.00 0.00 175.22 175.63 2k87 n PHE 55 N 4.65 0.78 -2.07 0.36 7.35 -1.22 -3.00 117.46 124.30 2k87 n PHE 55 Ca -0.18 0.40 -0.42 0.00 -0.76 0.00 0.00 57.45 56.49 2k87 n PHE 55 Cb 0.48 -2.10 -0.03 0.00 0.35 0.00 0.00 39.48 38.18 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 -3.23 3.25 -0.30 -7.13 0.04 -1.26 -4.98 135.00 121.38 2k87 s PRO 56 Ca 0.75 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 2k87 s PRO 56 Cb -0.36 -4.20 0.19 0.00 0.04 0.00 0.00 34.50 30.17 2k87 s PRO 56 CO 0.49 -1.97 1.24 0.34 0.04 0.00 0.00 177.00 177.14 2k87 s ASP 57 N 6.07 -0.13 -0.39 6.66 -1.08 -1.16 -5.10 116.67 121.53 2k87 s ASP 57 Ca 0.74 0.19 0.11 0.00 -0.52 0.00 0.00 52.55 53.07 2k87 s ASP 57 Cb -0.19 1.13 0.36 0.00 -1.46 0.00 0.00 42.92 42.76 2k87 s ASP 57 CO 0.31 -0.03 0.94 0.00 0.52 0.00 0.00 175.17 176.91 2k87 n LEU 58 N 4.29 -0.27 -0.00 -1.34 -0.00 -1.26 -3.82 117.00 114.59 2k87 n LEU 58 Ca -0.09 -4.28 0.07 0.00 -0.00 0.00 0.00 56.01 51.71 2k87 n LEU 58 Cb 0.55 0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 44.55 2k87 n LEU 58 CO -0.02 2.08 -0.47 -3.20 -0.00 0.00 0.00 177.39 175.77 2k87 n ASN 59 N 0.17 1.50 -3.36 1.45 5.15 -1.26 -5.01 115.26 113.89 2k87 n ASN 59 Ca 0.14 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2k87 n ASN 59 Cb 0.71 1.43 0.00 0.00 -0.53 0.00 0.00 39.78 41.40 2k87 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k87 n GLY 60 N 1.60 -1.68 0.05 8.20 0.00 -1.26 -5.00 105.19 107.09 2k87 n GLY 60 Ca -0.01 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.66 2k87 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k87 n ASP 61 N 0.00 0.33 -4.09 1.61 -0.08 0.10 -4.94 116.55 109.47 2k87 n ASP 61 Ca 0.00 0.13 -0.08 0.00 -1.51 0.00 0.00 54.79 53.32 2k87 n ASP 61 Cb 0.00 1.40 -0.10 0.00 2.34 0.00 0.00 41.12 44.76 2k87 n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2k87 s VAL 62 N -3.46 0.33 0.29 5.18 1.01 -0.07 -4.79 120.40 118.89 2k87 s VAL 62 Ca -0.05 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.27 2k87 s VAL 62 Cb 0.12 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 2k87 s VAL 62 CO 0.86 -0.88 0.05 -0.69 0.00 0.00 0.00 175.10 174.44 2k87 s VAL 63 N -3.43 1.05 0.20 2.92 1.01 -0.92 -2.36 120.40 118.87 2k87 s VAL 63 Ca 0.04 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.04 2k87 s VAL 63 Cb 0.04 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2k87 s VAL 63 CO -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 174.95 2k87 s ALA 64 N -3.40 1.56 0.03 5.51 0.00 -0.31 -2.47 121.76 122.68 2k87 s ALA 64 Ca 0.35 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 2k87 s ALA 64 Cb 0.08 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 2k87 s ALA 64 CO 0.14 -0.29 0.01 0.42 0.00 0.00 0.00 175.76 176.04 2k87 s ILE 65 N -3.56 0.14 0.11 0.00 -1.09 0.44 -3.46 121.20 113.78 2k87 s ILE 65 Ca 0.26 -1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.21 2k87 s ILE 65 Cb 0.06 -0.74 -0.06 0.00 -1.58 0.00 0.00 42.46 40.13 2k87 s ILE 65 CO 0.06 -0.64 1.13 1.51 -1.23 0.00 0.00 174.94 175.77 2k87 s ASP 66 N -1.99 7.19 0.63 3.58 -4.77 -1.26 -2.68 116.67 117.37 2k87 s ASP 66 Ca -0.07 2.02 0.40 0.00 -3.30 0.00 0.00 52.55 51.60 2k87 s ASP 66 Cb -0.03 -2.59 2.19 0.00 -1.09 0.00 0.00 42.92 41.39 2k87 s ASP 66 CO -0.04 -0.33 2.23 0.22 0.70 0.00 0.00 175.17 177.95 2k87 h TYR 67 N 5.97 0.00 -0.14 2.11 5.03 -1.95 0.37 116.97 128.36 2k87 h TYR 67 Ca -0.43 0.00 0.04 0.00 2.58 0.00 0.00 58.73 60.92 2k87 h TYR 67 Cb 1.21 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 2k87 h TYR 67 CO 0.65 0.00 0.15 0.00 -1.32 0.00 0.00 178.16 177.64 2k87 h ARG 68 N 0.00 0.00 -0.00 1.82 2.47 -1.95 -0.04 114.38 116.67 2k87 h ARG 68 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k87 h ARG 68 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2k87 h ARG 68 CO 0.00 0.00 -0.10 0.72 0.56 0.00 0.00 179.97 181.15 2k87 n HIS 69 N -3.92 0.00 -1.87 3.04 8.25 0.12 -4.73 115.22 116.11 2k87 n HIS 69 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 2k87 n HIS 69 Cb 0.26 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.91 3.39 -1.69 4.41 9.36 -0.03 -4.93 117.16 126.76 2k87 n TYR 70 Ca 0.15 -2.52 -0.31 0.00 3.32 0.00 0.00 57.90 58.54 2k87 n TYR 70 Cb 0.27 -2.41 0.03 0.00 -0.63 0.00 0.00 39.34 36.61 2k87 n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k87 s SER 71 N 4.24 5.69 0.00 2.98 0.15 -1.26 -4.97 113.70 120.54 2k87 s SER 71 Ca 0.54 1.55 0.14 0.00 0.70 0.00 0.00 55.95 58.87 2k87 s SER 71 Cb 0.10 -2.49 0.81 0.00 -1.71 0.00 0.00 66.02 62.73 2k87 s SER 71 CO 0.03 -1.23 1.40 0.00 1.20 0.00 0.00 173.24 174.63 2k87 n ALA 72 N -2.97 2.41 -0.22 5.45 0.00 -1.26 -1.69 120.51 122.24 2k87 n ALA 72 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2k87 n ALA 72 Cb 0.54 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 0.42 -0.12 0.00 0.02 -1.97 -3.21 113.55 108.69 2k87 h SER 73 Ca 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2k87 h SER 73 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2k87 h SER 73 CO 0.00 0.26 0.03 0.49 -1.14 0.00 0.00 176.83 176.47 2k87 n PHE 74 N -4.87 0.42 0.25 3.45 3.72 -0.68 -4.48 117.46 115.25 2k87 n PHE 74 Ca 0.08 -0.29 0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2k87 n PHE 74 Cb 0.22 -0.23 0.63 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.58 0.00 -0.18 -1.08 1.63 -1.76 -1.44 116.57 114.32 2k87 h LYS 75 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2k87 h LYS 75 Cb 0.91 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2k87 h LYS 75 CO 0.12 0.16 0.00 1.63 -3.45 0.00 0.00 179.45 177.91 2k87 n LYS 76 N -3.83 2.43 0.00 1.90 5.02 -1.26 -4.99 118.16 117.43 2k87 n LYS 76 Ca -0.02 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 2k87 n LYS 76 Cb 0.26 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.71 2.18 3.57 0.72 0.00 -0.54 -4.65 105.19 105.76 2k87 n GLY 77 Ca 0.18 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.99 -0.25 0.23 4.61 0.00 -1.26 -2.38 121.76 120.71 2k87 s ALA 78 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2k87 s ALA 78 Cb 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 2k87 s ALA 78 CO 0.00 -0.84 0.28 -1.59 0.00 0.00 0.00 175.76 173.61 2k87 s LYS 79 N -4.01 1.38 0.00 0.00 -2.85 0.12 -3.34 119.74 111.03 2k87 s LYS 79 Ca 0.22 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 2k87 s LYS 79 Cb -0.00 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2k87 s LYS 79 CO 0.08 -0.51 0.00 -0.11 0.10 0.00 0.00 175.35 174.91 2k87 n LEU 80 N -0.33 0.00 -0.29 2.77 0.00 0.08 -1.77 117.00 117.45 2k87 n LEU 80 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 2k87 n LEU 80 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.08 2k87 n LEU 80 CO 0.29 0.00 0.43 -0.11 0.00 0.00 0.00 177.39 178.00 2k87 n LEU 81 N 0.00 -0.52 0.00 -1.96 0.00 -1.26 -3.54 117.00 109.72 2k87 n LEU 81 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 56.01 57.32 2k87 n LEU 81 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 43.42 43.13 2k87 n LEU 81 CO 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 177.39 176.04 2k87 n HIS 82 N -5.09 0.00 -3.34 1.96 1.44 -1.26 -5.15 115.22 103.78 2k87 n HIS 82 Ca 0.07 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.52 2k87 n HIS 82 Cb 0.29 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.38 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 -1.06 3.54 0.50 -1.40 1.02 -1.23 -5.06 119.74 116.05 2k87 s LYS 83 Ca 0.00 -0.19 -0.20 0.00 0.02 0.00 0.00 55.97 55.60 2k87 s LYS 83 Cb 0.00 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.58 2k87 s LYS 83 CO 0.00 0.17 1.07 -1.25 -0.92 0.00 0.00 175.35 174.42 2k87 s PRO 84 N -4.01 3.68 0.15 -1.68 0.04 -1.26 -0.74 135.00 131.17 2k87 s PRO 84 Ca 0.42 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.97 2k87 s PRO 84 Cb -0.10 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2k87 s PRO 84 CO 0.34 -0.55 -0.15 0.96 0.04 0.00 0.00 177.00 177.64 2k87 s ILE 85 N -1.90 1.50 0.06 0.56 -5.25 -1.21 -2.16 121.20 112.79 2k87 s ILE 85 Ca 0.69 -1.86 0.03 0.00 -0.99 0.00 0.00 60.65 58.51 2k87 s ILE 85 Cb -0.19 -1.71 -0.03 0.00 2.95 0.00 0.00 42.46 43.49 2k87 s ILE 85 CO 0.22 -0.44 -0.08 0.68 -1.79 0.00 0.00 174.94 173.53 2k87 s VAL 86 N -2.31 0.65 -0.21 8.37 -7.23 -1.03 -4.66 120.40 113.97 2k87 s VAL 86 Ca 0.13 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 58.77 2k87 s VAL 86 Cb -0.04 -0.87 -0.00 0.00 0.56 0.00 0.00 36.38 36.03 2k87 s VAL 86 CO 0.04 -0.45 0.91 0.26 -0.31 0.00 0.00 175.10 175.56 2k87 s TRP 87 N -1.76 3.36 0.08 2.82 0.52 -1.26 -0.42 118.94 122.28 2k87 s TRP 87 Ca -0.05 1.30 0.09 0.00 0.02 0.00 0.00 56.10 57.47 2k87 s TRP 87 Cb -0.07 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.09 2k87 s TRP 87 CO -0.00 -0.38 -0.24 -3.38 0.02 0.00 0.00 176.95 172.97 2k87 s HIS 88 N 2.75 2.38 -0.09 -1.98 -3.43 -1.09 -4.88 115.29 108.96 2k87 s HIS 88 Ca 0.39 -0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2k87 s HIS 88 Cb -0.16 -1.35 0.02 0.00 -1.43 0.00 0.00 32.58 29.67 2k87 s HIS 88 CO 0.09 0.25 -0.06 0.42 -2.00 0.00 0.00 174.74 173.44 2k87 s ILE 89 N -0.96 0.80 -1.45 -5.38 1.01 -0.02 -4.13 121.20 111.07 2k87 s ILE 89 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 2k87 s ILE 89 Cb -0.10 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.57 2k87 s ILE 89 CO 0.05 0.32 0.70 -0.46 0.00 0.00 0.00 174.94 175.55 2k87 n ASN 90 N 4.72 -5.19 -0.39 3.58 2.04 -1.26 -0.37 115.26 118.40 2k87 n ASN 90 Ca -0.14 -0.43 -0.05 0.00 -0.44 0.00 0.00 54.58 53.52 2k87 n ASN 90 Cb 0.50 -4.19 -0.02 0.00 -2.53 0.00 0.00 39.78 33.54 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 -4.16 -1.48 -4.62 -3.83 6.02 -1.26 -4.97 117.38 103.07 2k87 n GLN 91 Ca -0.04 0.61 -0.30 0.00 -0.01 0.00 0.00 57.00 57.26 2k87 n GLN 91 Cb 0.57 -4.83 -0.07 0.00 1.02 0.00 0.00 30.24 26.93 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k87 n ALA 92 N 1.09 0.53 -2.74 -1.58 0.00 0.50 -4.39 120.51 113.93 2k87 n ALA 92 Ca -0.05 -2.25 -0.17 0.00 0.00 0.00 0.00 53.44 50.97 2k87 n ALA 92 Cb 0.45 1.38 -0.12 0.00 0.00 0.00 0.00 19.45 21.15 2k87 n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k87 s THR 93 N -3.03 0.92 0.33 0.00 -1.32 -1.26 -0.84 115.64 110.44 2k87 s THR 93 Ca 0.12 -1.10 0.06 0.00 -1.21 0.00 0.00 61.69 59.55 2k87 s THR 93 Cb 0.01 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2k87 s THR 93 CO 0.08 -0.19 0.22 0.35 -2.21 0.00 0.00 174.62 172.88 2k87 n THR 94 N 1.59 0.00 0.21 5.08 -2.24 -1.26 -4.99 114.28 112.66 2k87 n THR 94 Ca -0.20 -2.24 0.02 0.00 -2.27 0.00 0.00 64.05 59.36 2k87 n THR 94 Cb 0.55 1.03 0.12 0.00 -2.10 0.00 0.00 70.33 69.92 2k87 n THR 94 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k87 n LYS 95 N -0.67 0.04 0.07 -0.78 4.81 -1.26 -0.77 118.16 119.61 2k87 n LYS 95 Ca 0.03 0.32 -0.12 0.00 -0.87 0.00 0.00 58.31 57.68 2k87 n LYS 95 Cb 0.56 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.08 2k87 n LYS 95 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2k87 h THR 96 N 0.00 1.44 -0.00 3.15 2.02 -2.02 -3.38 112.91 114.11 2k87 h THR 96 Ca 0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 2k87 h THR 96 Cb 0.07 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2k87 h THR 96 CO 0.00 0.75 -0.17 0.35 0.37 0.00 0.00 175.52 176.82 2k87 n THR 97 N -3.70 0.00 0.40 3.16 -2.24 -0.26 -4.66 114.28 106.98 2k87 n THR 97 Ca -0.05 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.14 2k87 n THR 97 Cb 0.83 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.78 -0.97 -0.18 4.78 3.57 -1.13 -0.48 116.94 123.31 2k87 h PHE 98 Ca 0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2k87 h PHE 98 Cb 0.25 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2k87 h PHE 98 CO 0.00 -0.59 -0.00 0.87 -2.23 0.00 0.00 178.31 176.36 2k87 h LYS 99 N -1.21 0.06 0.00 1.11 1.57 -1.83 -0.71 116.57 115.56 2k87 h LYS 99 Ca -0.11 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2k87 h LYS 99 Cb 0.81 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2k87 h LYS 99 CO 0.17 0.04 -0.15 -1.00 -0.57 0.00 0.00 179.45 177.94 2k87 h PRO 100 N 0.06 0.00 -0.39 3.15 0.13 -1.84 -2.53 132.00 130.57 2k87 h PRO 100 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 2k87 h PRO 100 Cb 0.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 2k87 h PRO 100 CO -0.15 0.15 -0.10 -0.91 -0.23 0.00 0.00 178.00 176.77 2k87 h ASN 101 N 0.00 0.66 -1.01 1.44 2.35 0.35 -2.26 115.58 117.12 2k87 h ASN 101 Ca -0.00 -0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2k87 h ASN 101 Cb 0.64 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 2k87 h ASN 101 CO 0.02 0.80 0.64 0.71 -1.65 0.00 0.00 177.43 177.95 2k87 h THR 102 N 0.62 1.03 -0.26 2.81 1.35 -0.83 -0.63 112.91 117.00 2k87 h THR 102 Ca 0.11 -0.38 -0.07 0.00 -0.55 0.00 0.00 66.41 65.52 2k87 h THR 102 Cb 0.54 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2k87 h THR 102 CO 0.03 0.20 -0.14 -0.50 -0.25 0.00 0.00 175.52 174.86 2k87 h TRP 103 N 1.12 0.47 -0.24 4.73 4.06 -1.46 0.25 115.95 124.88 2k87 h TRP 103 Ca 0.46 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.29 2k87 h TRP 103 Cb 0.28 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 2k87 h TRP 103 CO -0.00 0.57 -0.02 0.00 -3.56 0.00 0.00 178.44 175.43 2k87 h LEU 105 N 0.20 1.14 -2.20 0.00 3.38 -0.48 0.87 115.31 118.21 2k87 h LEU 105 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2k87 h LEU 105 Cb 0.45 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2k87 h LEU 105 CO 0.02 0.85 -0.06 0.03 0.09 0.00 0.00 178.44 179.37 2k87 h ARG 106 N 1.33 0.00 0.15 1.13 3.08 -0.98 -0.51 114.38 118.57 2k87 h ARG 106 Ca 0.35 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.10 2k87 h ARG 106 Cb -0.10 0.00 0.03 0.00 0.08 0.00 0.00 29.97 29.98 2k87 h ARG 106 CO -0.07 0.06 -1.29 0.00 -1.07 0.00 0.00 179.97 177.60 2k87 h LEU 108 N 0.22 0.22 -9.54 0.00 3.38 -0.42 -3.45 115.31 105.73 2k87 h LEU 108 Ca -0.19 -0.06 -0.59 0.00 0.09 0.00 0.00 57.88 57.12 2k87 h LEU 108 Cb 1.97 -0.06 0.12 0.00 0.09 0.00 0.00 40.66 42.78 2k87 h LEU 108 CO 0.24 0.46 0.09 0.79 0.09 0.00 0.00 178.44 180.12 2k87 n TRP 109 N -4.18 1.05 -3.08 1.13 8.01 -0.32 -4.99 117.44 115.05 2k87 n TRP 109 Ca -0.01 0.63 -0.28 0.00 -1.31 0.00 0.00 57.50 56.53 2k87 n TRP 109 Cb 0.34 -2.21 -0.02 0.00 -2.01 0.00 0.00 31.31 27.41 2k87 n TRP 109 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2k87 s SER 110 N -0.68 6.40 0.16 -0.99 0.15 -0.61 -4.56 113.70 113.57 2k87 s SER 110 Ca 0.61 0.81 -0.19 0.00 0.70 0.00 0.00 55.95 57.88 2k87 s SER 110 Cb -0.62 -2.19 -0.08 0.00 -1.71 0.00 0.00 66.02 61.42 2k87 s SER 110 CO 0.58 -0.34 0.65 0.42 1.20 0.00 0.00 173.24 175.75 2k87 s THR 111 N -2.33 4.66 0.50 6.45 -4.23 -1.26 -0.75 115.64 118.67 2k87 s THR 111 Ca 0.46 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2k87 s THR 111 Cb -0.10 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.87 2k87 s THR 111 CO 0.35 0.32 0.00 1.17 -0.54 0.00 0.00 174.62 175.92 2k87 n LYS 112 N 1.05 -4.28 -2.01 3.99 4.81 -1.26 -4.94 118.16 115.52 2k87 n LYS 112 Ca -0.05 3.20 -0.38 0.00 -0.87 0.00 0.00 58.31 60.21 2k87 n LYS 112 Cb 0.51 -3.69 0.02 0.00 0.02 0.00 0.00 35.03 31.89 2k87 n LYS 112 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k87 s PRO 113 N -3.60 3.48 -0.08 1.64 0.04 -1.26 -4.89 135.00 130.33 2k87 s PRO 113 Ca 0.00 2.03 0.12 0.00 0.04 0.00 0.00 61.00 63.19 2k87 s PRO 113 Cb 0.00 -2.36 0.22 0.00 0.04 0.00 0.00 34.50 32.40 2k87 s PRO 113 CO 0.00 -0.86 1.11 0.28 0.04 0.00 0.00 177.00 177.57 2k87 n VAL 114 N -0.70 1.02 -1.13 -0.36 0.31 -1.26 -4.72 118.33 111.49 2k87 n VAL 114 Ca 0.08 -1.43 0.02 0.00 -0.01 0.00 0.00 64.34 63.00 2k87 n VAL 114 Cb 0.46 0.18 0.02 0.00 -0.91 0.00 0.00 33.84 33.59 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2k87 n ASP 115 N -0.64 0.74 0.00 4.52 2.03 -1.26 -5.00 116.55 116.94 2k87 n ASP 115 Ca 0.09 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.59 2k87 n ASP 115 Cb 0.73 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69