#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s98 s ILE 3 N 0.00 4.71 0.32 -1.33 -1.09 -1.26 -0.74 121.20 121.81 1s98 s ILE 3 Ca 0.00 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 1s98 s ILE 3 Cb 0.00 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1s98 s ILE 3 CO 0.00 0.58 0.08 0.42 -1.23 0.00 0.00 174.94 174.79 1s98 s THR 4 N -0.96 0.94 0.03 2.92 -4.23 -0.69 -4.84 115.64 108.80 1s98 s THR 4 Ca 0.15 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1s98 s THR 4 Cb -0.12 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1s98 s THR 4 CO 0.04 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.17 1s98 s LEU 5 N -3.46 2.13 0.76 4.79 1.02 -1.26 -0.60 118.68 122.06 1s98 s LEU 5 Ca 0.35 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.94 1s98 s LEU 5 Cb 0.08 -0.89 0.05 0.00 0.02 0.00 0.00 46.19 45.45 1s98 s LEU 5 CO 0.15 0.15 1.09 -0.94 0.02 0.00 0.00 176.35 176.82 1s98 s SER 6 N -0.96 4.64 0.21 2.29 1.04 -0.18 -4.79 113.70 115.96 1s98 s SER 6 Ca 0.06 1.79 -0.10 0.00 0.48 0.00 0.00 55.95 58.18 1s98 s SER 6 Cb -0.08 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.82 1s98 s SER 6 CO 0.01 -1.95 1.67 0.44 0.98 0.00 0.00 173.24 174.39 1s98 h ASP 7 N -1.06 -0.22 -0.79 7.02 3.45 -1.99 -1.15 116.42 121.69 1s98 h ASP 7 Ca -0.44 0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.20 1s98 h ASP 7 Cb 1.23 0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 40.20 1s98 h ASP 7 CO 0.52 -0.09 0.50 0.77 -1.57 0.00 0.00 179.24 179.37 1s98 h SER 8 N 0.14 0.83 -0.31 6.45 4.64 -1.93 -1.67 113.55 121.71 1s98 h SER 8 Ca 0.32 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 1s98 h SER 8 Cb 0.52 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1s98 h SER 8 CO -0.51 0.58 -0.31 0.00 -0.87 0.00 0.00 176.83 175.72 1s98 h ALA 9 N 1.33 0.45 -0.95 5.18 0.00 -1.64 -2.15 119.26 121.49 1s98 h ALA 9 Ca 0.31 -0.41 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1s98 h ALA 9 Cb 0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 1s98 h ALA 9 CO -0.11 0.49 0.56 0.00 0.00 0.00 0.00 179.25 180.18 1s98 h ALA 10 N 0.72 1.49 -0.18 0.00 0.00 -1.18 -1.14 119.26 118.97 1s98 h ALA 10 Ca 0.05 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1s98 h ALA 10 Cb 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s98 h ALA 10 CO 0.08 0.02 -0.47 0.00 0.00 0.00 0.00 179.25 178.88 1s98 h ALA 11 N 1.58 0.30 -0.52 0.00 0.00 -0.99 -0.43 119.26 119.20 1s98 h ALA 11 Ca 0.51 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s98 h ALA 11 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1s98 h ALA 11 CO -0.34 0.45 0.15 0.00 0.00 0.00 0.00 179.25 179.51 1s98 h ARG 12 N 0.31 0.82 0.02 0.00 2.47 -1.25 -1.88 114.38 114.86 1s98 h ARG 12 Ca -0.01 -0.18 -0.20 0.00 -1.26 0.00 0.00 59.98 58.33 1s98 h ARG 12 Cb 1.08 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 1s98 h ARG 12 CO 0.10 0.76 -0.95 0.28 0.56 0.00 0.00 179.97 180.73 1s98 h VAL 13 N 0.72 1.60 -0.41 2.04 2.07 -1.12 -0.66 116.25 120.49 1s98 h VAL 13 Ca 0.17 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.68 1s98 h VAL 13 Cb 0.30 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1s98 h VAL 13 CO -0.00 0.86 0.22 0.78 0.02 0.00 0.00 177.57 179.45 1s98 h ASN 14 N 0.04 0.51 -0.11 0.57 2.35 -0.86 -2.24 115.58 115.83 1s98 h ASN 14 Ca -0.03 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1s98 h ASN 14 Cb 1.63 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.82 1s98 h ASN 14 CO 0.13 0.46 -0.26 0.74 -1.65 0.00 0.00 177.43 176.86 1s98 h THR 15 N 0.52 0.39 0.00 2.81 2.02 -1.23 -1.70 112.91 115.73 1s98 h THR 15 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1s98 h THR 15 Cb 0.07 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1s98 h THR 15 CO -0.02 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 175.61 1s98 h PHE 16 N -0.34 0.00 0.00 3.16 0.04 -0.71 -2.66 116.94 116.43 1s98 h PHE 16 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1s98 h PHE 16 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1s98 h PHE 16 CO -0.35 0.00 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.08 1s98 h LEU 17 N 0.00 0.00 0.00 1.54 3.38 -0.74 -3.01 115.31 116.48 1s98 h LEU 17 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1s98 h LEU 17 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1s98 h LEU 17 CO 0.00 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1s98 n ALA 18 N -2.95 0.00 0.05 1.53 0.00 -0.97 -1.81 120.51 116.37 1s98 n ALA 18 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1s98 n ALA 18 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1s98 n ALA 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s98 n ASN 19 N 0.00 0.00 -0.09 0.00 5.03 -1.01 0.23 115.26 119.42 1s98 n ASN 19 Ca 0.00 0.08 0.02 0.00 0.87 0.00 0.00 54.58 55.55 1s98 n ASN 19 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1s98 n ASN 19 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1s98 n ARG 20 N -0.81 1.78 -1.06 3.52 1.85 -1.13 -5.02 116.66 115.79 1s98 n ARG 20 Ca 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 57.85 56.39 1s98 n ARG 20 Cb 0.17 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 1s98 n ARG 20 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s98 n GLY 21 N 0.51 0.00 0.77 2.89 0.00 0.63 -4.70 105.19 105.28 1s98 n GLY 21 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1s98 n GLY 21 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s98 n LYS 22 N -0.32 0.16 -3.06 1.61 -0.00 -1.26 -5.05 118.16 110.24 1s98 n LYS 22 Ca 0.00 0.07 -0.20 0.00 -0.00 0.00 0.00 58.31 58.18 1s98 n LYS 22 Cb 0.00 -0.77 0.06 0.00 -0.00 0.00 0.00 35.03 34.32 1s98 n LYS 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1s98 s GLY 23 N -5.08 1.74 0.03 2.58 0.00 -1.26 -4.98 107.32 100.36 1s98 s GLY 23 Ca -0.10 -2.13 -0.16 0.00 0.00 0.00 0.00 44.72 42.32 1s98 s GLY 23 CO 0.13 -1.69 1.01 -2.75 0.00 0.00 0.00 173.10 169.80 1s98 h PHE 24 N 0.19 0.99 0.00 1.90 3.57 -1.23 -3.49 116.94 118.87 1s98 h PHE 24 Ca -0.30 -0.71 0.00 0.00 3.53 0.00 0.00 57.97 60.49 1s98 h PHE 24 Cb 1.29 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1s98 h PHE 24 CO 0.45 1.55 0.00 0.41 -2.23 0.00 0.00 178.31 178.49 1s98 n GLY 25 N 1.68 -0.55 3.86 2.40 0.00 -1.13 -4.42 105.19 107.03 1s98 n GLY 25 Ca -0.17 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1s98 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s98 s LEU 26 N 0.00 4.38 -0.11 0.99 1.43 -0.67 -1.34 118.68 123.35 1s98 s LEU 26 Ca 0.00 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 1s98 s LEU 26 Cb 0.00 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1s98 s LEU 26 CO 0.00 0.37 0.41 -0.60 0.23 0.00 0.00 176.35 176.76 1s98 s ARG 27 N -0.85 4.24 -0.21 1.70 3.52 0.14 -0.05 118.95 127.44 1s98 s ARG 27 Ca 0.15 0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1s98 s ARG 27 Cb -0.12 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1s98 s ARG 27 CO 0.04 0.28 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.59 1s98 s LEU 28 N 0.26 2.87 0.00 -0.88 2.96 -0.83 -1.56 118.68 121.51 1s98 s LEU 28 Ca 0.23 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1s98 s LEU 28 Cb -0.15 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1s98 s LEU 28 CO 0.09 0.01 0.23 0.61 -1.32 0.00 0.00 176.35 175.97 1s98 n GLY 29 N 4.58 3.08 3.04 7.98 0.00 -0.05 -4.42 105.19 119.40 1s98 n GLY 29 Ca -0.18 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1s98 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s98 s VAL 30 N -3.18 0.49 0.17 1.61 -7.23 -1.26 -0.97 120.40 110.04 1s98 s VAL 30 Ca 0.32 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1s98 s VAL 30 Cb 0.02 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1s98 s VAL 30 CO 0.23 -0.29 0.13 0.00 -0.31 0.00 0.00 175.10 174.86 1s98 s ARG 31 N -1.28 1.11 0.42 4.82 1.70 -0.02 -4.86 118.95 120.84 1s98 s ARG 31 Ca -0.08 -1.50 -0.25 0.00 -0.47 0.00 0.00 55.73 53.43 1s98 s ARG 31 Cb -0.08 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 1s98 s ARG 31 CO 0.00 -0.35 1.21 0.99 -1.08 0.00 0.00 175.30 176.07 1s98 s THR 32 N -4.10 2.95 -0.43 4.99 2.01 -1.26 -0.56 115.64 119.24 1s98 s THR 32 Ca 0.31 0.79 0.05 0.00 0.31 0.00 0.00 61.69 63.14 1s98 s THR 32 Cb 0.07 -3.43 0.19 0.00 0.01 0.00 0.00 72.50 69.33 1s98 s THR 32 CO 0.07 0.06 0.41 -0.24 -0.69 0.00 0.00 174.62 174.23 1s98 n SER 33 N -0.10 0.01 -0.40 3.53 2.88 0.02 -4.53 113.62 115.03 1s98 n SER 33 Ca 0.05 -2.53 0.01 0.00 -1.33 0.00 0.00 58.87 55.07 1s98 n SER 33 Cb 0.46 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1s98 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s98 n GLY 34 N 2.36 -1.75 0.78 0.46 0.00 -1.26 -3.35 105.19 102.43 1s98 n GLY 34 Ca 0.27 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 45.13 1s98 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s98 n SER 36 N 0.90 2.08 -1.54 0.00 2.88 -1.26 -5.10 113.62 111.57 1s98 n SER 36 Ca 0.16 -2.10 -0.01 0.00 -1.33 0.00 0.00 58.87 55.60 1s98 n SER 36 Cb 0.50 -0.05 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1s98 n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s98 n GLY 37 N -0.53 1.18 3.03 0.46 0.00 -1.21 -5.08 105.19 103.03 1s98 n GLY 37 Ca 0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1s98 n GLY 37 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s98 s MET 38 N -2.01 0.44 0.11 1.61 1.00 -1.26 -0.80 119.30 118.39 1s98 s MET 38 Ca 0.05 -0.79 0.08 0.00 0.00 0.00 0.00 55.69 55.03 1s98 s MET 38 Cb -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 34.83 34.95 1s98 s MET 38 CO 0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 175.02 174.77 1s98 s ALA 39 N -2.30 1.72 0.47 3.03 0.00 0.28 -4.75 121.76 120.20 1s98 s ALA 39 Ca -0.08 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.39 1s98 s ALA 39 Cb -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1s98 s ALA 39 CO -0.04 0.28 1.13 0.71 0.00 0.00 0.00 175.76 177.84 1s98 s TYR 40 N -1.47 2.91 -0.06 0.00 2.02 -1.26 -0.84 117.35 118.64 1s98 s TYR 40 Ca 0.07 1.56 0.05 0.00 -0.37 0.00 0.00 57.07 58.38 1s98 s TYR 40 Cb -0.09 -3.30 -0.02 0.00 -0.40 0.00 0.00 41.96 38.16 1s98 s TYR 40 CO 0.04 -1.33 -0.20 0.08 -1.57 0.00 0.00 175.55 172.57 1s98 s VAL 41 N -1.64 2.51 -0.15 0.71 1.01 -0.14 -4.79 120.40 117.90 1s98 s VAL 41 Ca 0.65 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1s98 s VAL 41 Cb -0.26 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1s98 s VAL 41 CO 0.31 0.57 0.08 -0.22 0.00 0.00 0.00 175.10 175.84 1s98 s LEU 42 N -0.31 0.33 0.24 3.92 0.20 -1.26 -0.87 118.68 120.94 1s98 s LEU 42 Ca 0.02 -0.51 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 1s98 s LEU 42 Cb -0.13 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.38 1s98 s LEU 42 CO 0.02 -0.33 0.29 -1.83 -0.29 0.00 0.00 176.35 174.21 1s98 s GLU 43 N 2.14 1.44 0.12 1.98 -1.05 -0.60 -4.97 118.70 117.76 1s98 s GLU 43 Ca 0.02 -1.57 -0.23 0.00 -0.15 0.00 0.00 54.97 53.05 1s98 s GLU 43 Cb -0.15 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.82 1s98 s GLU 43 CO -0.08 -0.54 0.69 -0.06 0.95 0.00 0.00 175.26 176.22 1s98 s PHE 44 N -3.91 3.86 0.05 4.83 0.08 -1.26 0.25 117.98 121.87 1s98 s PHE 44 Ca 0.33 1.48 0.07 0.00 0.12 0.00 0.00 56.93 58.93 1s98 s PHE 44 Cb 0.03 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 1s98 s PHE 44 CO 0.14 0.54 -0.21 0.14 -0.10 0.00 0.00 175.22 175.72 1s98 s VAL 45 N -1.08 1.69 -0.13 -0.44 -7.23 -0.45 -4.74 120.40 108.02 1s98 s VAL 45 Ca 0.33 -1.23 -0.10 0.00 -1.81 0.00 0.00 61.98 59.17 1s98 s VAL 45 Cb -0.22 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.18 1s98 s VAL 45 CO 0.23 0.20 0.10 0.44 -0.31 0.00 0.00 175.10 175.75 1s98 h ASP 46 N 4.81 0.00 -3.51 4.85 3.32 -1.94 -1.88 116.42 122.08 1s98 h ASP 46 Ca -0.43 -0.22 -0.68 0.00 0.02 0.00 0.00 57.03 55.72 1s98 h ASP 46 Cb 1.16 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 1s98 h ASP 46 CO 0.43 0.77 -0.87 -1.61 -1.72 0.00 0.00 179.24 176.25 1s98 s GLU 47 N -1.96 2.95 0.99 3.56 0.41 -1.26 -2.97 118.70 120.42 1s98 s GLU 47 Ca -0.11 -0.87 -0.11 0.00 -0.41 0.00 0.00 54.97 53.47 1s98 s GLU 47 Cb 0.01 -2.29 0.16 0.00 -1.78 0.00 0.00 34.13 30.23 1s98 s GLU 47 CO 0.25 0.24 0.96 -0.35 -0.49 0.00 0.00 175.26 175.86 1s98 n PRO 48 N 3.37 -0.93 -3.83 0.39 -0.04 -1.26 -5.06 135.00 127.63 1s98 n PRO 48 Ca -0.19 -0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 62.84 1s98 n PRO 48 Cb 0.53 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1s98 n PRO 48 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1s98 s THR 49 N -2.53 3.04 -0.65 0.52 -4.23 -1.26 -5.00 115.64 105.53 1s98 s THR 49 Ca 0.65 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1s98 s THR 49 Cb -0.23 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.66 1s98 s THR 49 CO 0.61 -0.11 1.33 -0.81 -0.54 0.00 0.00 174.62 175.10 1s98 n PRO 50 N -1.36 0.07 0.00 3.99 -0.04 -1.26 -1.78 135.00 134.62 1s98 n PRO 50 Ca -0.00 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 1s98 n PRO 50 Cb 0.61 -1.71 0.53 0.00 -0.04 0.00 0.00 33.50 32.89 1s98 n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1s98 n GLU 51 N -1.85 0.56 -3.70 0.54 4.71 -1.26 -4.93 120.64 114.71 1s98 n GLU 51 Ca -0.00 -0.22 -0.22 0.00 -0.01 0.00 0.00 57.16 56.70 1s98 n GLU 51 Cb 0.03 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 1s98 n GLU 51 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1s98 s ASP 52 N -2.60 6.28 -0.16 1.62 -0.00 -0.73 -0.87 116.67 120.21 1s98 s ASP 52 Ca 0.24 0.20 0.01 0.00 -0.00 0.00 0.00 52.55 53.01 1s98 s ASP 52 Cb 0.19 -1.88 0.01 0.00 -0.00 0.00 0.00 42.92 41.24 1s98 s ASP 52 CO 0.51 -0.19 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.69 1s98 s ILE 53 N -2.13 2.31 -0.23 0.77 -1.09 -0.46 -4.78 121.20 115.59 1s98 s ILE 53 Ca 0.37 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.84 1s98 s ILE 53 Cb -0.09 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 1s98 s ILE 53 CO 0.32 0.53 0.05 -0.69 -1.23 0.00 0.00 174.94 173.92 1s98 s VAL 54 N 1.02 4.26 0.16 2.92 1.01 -1.26 -1.20 120.40 127.31 1s98 s VAL 54 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1s98 s VAL 54 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1s98 s VAL 54 CO -0.05 0.37 0.19 -0.36 0.00 0.00 0.00 175.10 175.25 1s98 s PHE 55 N 1.37 3.27 -0.06 5.22 0.40 -0.07 -4.94 117.98 123.18 1s98 s PHE 55 Ca 0.05 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1s98 s PHE 55 Cb -0.15 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1s98 s PHE 55 CO 0.03 0.52 -0.04 -2.00 0.70 0.00 0.00 175.22 174.42 1s98 s GLU 56 N -3.14 0.92 -0.05 0.44 2.12 -1.26 0.44 118.70 118.16 1s98 s GLU 56 Ca 0.32 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.54 1s98 s GLU 56 Cb -0.10 -0.99 0.04 0.00 0.26 0.00 0.00 34.13 33.33 1s98 s GLU 56 CO 0.25 -0.14 0.11 0.34 -0.54 0.00 0.00 175.26 175.28 1s98 s ASP 57 N 1.22 0.15 -1.60 -1.70 2.15 -0.66 -4.84 116.67 111.37 1s98 s ASP 57 Ca -0.06 0.21 -0.11 0.00 0.43 0.00 0.00 52.55 53.01 1s98 s ASP 57 Cb -0.14 0.09 0.10 0.00 -0.30 0.00 0.00 42.92 42.68 1s98 s ASP 57 CO -0.02 -0.16 0.59 0.29 -0.17 0.00 0.00 175.17 175.70 1s98 n LYS 58 N 4.43 -2.91 -0.69 4.34 5.02 -1.26 -1.26 118.16 125.82 1s98 n LYS 58 Ca -0.23 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1s98 n LYS 58 Cb 0.51 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1s98 n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s98 n GLY 59 N -1.68 1.01 3.32 0.72 0.00 -1.26 -4.97 105.19 102.33 1s98 n GLY 59 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1s98 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s98 s VAL 60 N -3.46 3.08 -0.05 1.61 0.11 -0.39 -5.04 120.40 116.26 1s98 s VAL 60 Ca 0.00 -0.62 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 1s98 s VAL 60 Cb 0.00 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.48 1s98 s VAL 60 CO 0.00 0.49 1.16 -0.54 -3.33 0.00 0.00 175.10 172.88 1s98 s LYS 61 N 0.86 4.38 -0.19 1.54 1.02 -1.26 -1.65 119.74 124.43 1s98 s LYS 61 Ca -0.03 1.63 -0.03 0.00 0.02 0.00 0.00 55.97 57.55 1s98 s LYS 61 Cb -0.15 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1s98 s LYS 61 CO 0.00 -0.40 -0.05 0.08 -0.92 0.00 0.00 175.35 174.07 1s98 s VAL 62 N 2.04 3.51 -0.21 3.17 1.01 0.17 -1.68 120.40 128.41 1s98 s VAL 62 Ca 0.55 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1s98 s VAL 62 Cb -0.24 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1s98 s VAL 62 CO 0.22 0.45 0.11 -0.69 0.00 0.00 0.00 175.10 175.19 1s98 s VAL 63 N 1.00 5.05 -0.13 2.92 1.01 0.93 -0.90 120.40 130.28 1s98 s VAL 63 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1s98 s VAL 63 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1s98 s VAL 63 CO 0.00 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 1s98 s VAL 64 N 0.67 0.92 0.25 2.92 1.01 -0.34 -1.96 120.40 123.87 1s98 s VAL 64 Ca 0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1s98 s VAL 64 Cb -0.13 -1.06 -0.14 0.00 0.00 0.00 0.00 36.38 35.05 1s98 s VAL 64 CO 0.01 0.21 1.18 -0.67 0.00 0.00 0.00 175.10 175.83 1s98 n ASP 65 N 4.96 1.83 0.25 3.32 -0.08 -1.26 -1.35 116.55 124.22 1s98 n ASP 65 Ca -0.11 1.16 0.08 0.00 -1.51 0.00 0.00 54.79 54.41 1s98 n ASP 65 Cb 0.49 -1.33 0.62 0.00 2.34 0.00 0.00 41.12 43.24 1s98 n ASP 65 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s98 h GLY 66 N 2.94 0.00 1.11 0.27 0.00 -1.31 -1.11 103.07 104.98 1s98 h GLY 66 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1s98 h GLY 66 CO 0.67 0.00 -0.19 0.28 0.00 0.00 0.00 176.54 177.30 1s98 n LYS 67 N -4.33 0.38 0.00 4.80 5.02 -1.26 -3.11 118.16 119.66 1s98 n LYS 67 Ca -0.03 -0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1s98 n LYS 67 Cb 0.16 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.77 1s98 n LYS 67 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s98 n SER 68 N -1.18 0.96 -0.18 4.39 7.64 -0.42 -4.44 113.62 120.39 1s98 n SER 68 Ca 0.10 -0.78 0.08 0.00 1.01 0.00 0.00 58.87 59.28 1s98 n SER 68 Cb 0.31 0.53 0.37 0.00 -1.01 0.00 0.00 64.21 64.41 1s98 n SER 68 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1s98 h MET 69 N 0.51 0.68 0.00 1.43 2.86 -1.56 -0.34 114.93 118.51 1s98 h MET 69 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1s98 h MET 69 Cb 0.54 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1s98 h MET 69 CO 0.00 0.45 -0.02 -0.56 1.06 0.00 0.00 176.91 177.84 1s98 h GLN 70 N 0.70 0.00 0.00 1.72 3.07 -1.81 -0.59 115.11 118.21 1s98 h GLN 70 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1s98 h GLN 70 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1s98 h GLN 70 CO -0.11 0.02 -0.45 0.74 0.09 0.00 0.00 178.83 179.12 1s98 h PHE 71 N 0.00 0.00 0.00 0.06 -1.00 -1.36 -3.42 116.94 111.21 1s98 h PHE 71 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1s98 h PHE 71 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1s98 h PHE 71 CO 0.00 0.00 -0.91 1.28 -1.61 0.00 0.00 178.31 177.07 1s98 n LEU 72 N -2.71 0.00 -4.72 1.54 4.77 -0.72 -4.86 117.00 110.29 1s98 n LEU 72 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1s98 n LEU 72 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1s98 n LEU 72 CO 0.36 0.00 1.07 -0.67 -1.33 0.00 0.00 177.39 176.83 1s98 n ASP 73 N -1.72 3.32 0.00 -1.43 2.03 -0.31 -1.13 116.55 117.31 1s98 n ASP 73 Ca 0.00 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1s98 n ASP 73 Cb 0.32 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1s98 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s98 n GLY 74 N 1.34 0.94 3.75 0.27 0.00 0.08 -4.73 105.19 106.84 1s98 n GLY 74 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1s98 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s98 s THR 75 N -3.49 2.76 -0.20 2.61 2.01 -0.28 -4.56 115.64 114.48 1s98 s THR 75 Ca 0.00 0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 1s98 s THR 75 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1s98 s THR 75 CO 0.00 0.12 0.02 -1.58 -0.69 0.00 0.00 174.62 172.49 1s98 s GLN 76 N -0.70 3.71 0.03 4.92 0.74 0.31 -1.70 119.66 126.96 1s98 s GLN 76 Ca 0.56 -0.48 -0.26 0.00 0.05 0.00 0.00 55.36 55.23 1s98 s GLN 76 Cb -0.40 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1s98 s GLN 76 CO 0.45 0.05 0.83 -1.17 -0.55 0.00 0.00 175.29 174.90 1s98 s LEU 77 N 0.92 4.43 0.21 3.68 2.96 0.23 -1.22 118.68 129.89 1s98 s LEU 77 Ca 0.02 1.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1s98 s LEU 77 Cb -0.14 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1s98 s LEU 77 CO 0.02 -0.06 0.08 -0.62 -1.32 0.00 0.00 176.35 174.44 1s98 s ASP 78 N 0.25 0.85 -0.17 3.68 3.68 -0.28 -1.01 116.67 123.68 1s98 s ASP 78 Ca 0.42 -1.31 -0.14 0.00 2.13 0.00 0.00 52.55 53.65 1s98 s ASP 78 Cb -0.21 0.22 0.05 0.00 -1.45 0.00 0.00 42.92 41.53 1s98 s ASP 78 CO 0.24 -0.72 0.45 0.12 0.13 0.00 0.00 175.17 175.40 1s98 s PHE 79 N -3.86 -0.54 -0.22 -5.34 5.36 -1.26 -1.78 117.98 110.34 1s98 s PHE 79 Ca 0.33 1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1s98 s PHE 79 Cb 0.07 0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.97 1s98 s PHE 79 CO 0.09 -0.27 -0.09 0.08 -1.46 0.00 0.00 175.22 173.57 1s98 s VAL 80 N 0.56 2.79 0.24 3.12 1.01 -0.75 -4.68 120.40 122.69 1s98 s VAL 80 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1s98 s VAL 80 Cb -0.04 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1s98 s VAL 80 CO -0.03 0.35 1.56 0.07 0.00 0.00 0.00 175.10 177.04 1s98 h LYS 81 N 8.02 0.17 -4.79 2.72 -0.00 -1.93 -2.36 116.57 118.40 1s98 h LYS 81 Ca -0.39 -0.13 -0.26 0.00 -0.00 0.00 0.00 60.65 59.88 1s98 h LYS 81 Cb 1.13 0.02 -0.15 0.00 -0.00 0.00 0.00 32.23 33.23 1s98 h LYS 81 CO 0.60 0.75 -0.70 -2.00 -0.00 0.00 0.00 179.45 178.10 1s98 s GLU 82 N -3.67 0.91 0.00 0.07 2.56 -1.26 -4.88 118.70 112.44 1s98 s GLU 82 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 54.97 53.56 1s98 s GLU 82 Cb 0.12 -0.34 0.00 0.00 2.00 0.00 0.00 34.13 35.91 1s98 s GLU 82 CO 0.79 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.91 1s98 n GLY 83 N -0.10 -0.93 0.25 -1.50 0.00 -1.26 -4.15 105.19 97.51 1s98 n GLY 83 Ca -0.11 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1s98 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s98 h LEU 84 N 0.00 0.00 -2.05 0.99 -0.00 -2.00 -1.96 115.31 110.28 1s98 h LEU 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1s98 h LEU 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1s98 h LEU 84 CO 0.00 0.14 0.00 0.59 -0.00 0.00 0.00 178.44 179.17 1s98 n ASN 85 N -3.44 3.05 -4.53 -0.43 3.02 -1.26 -4.96 115.26 106.71 1s98 n ASN 85 Ca -0.01 -2.31 -0.53 0.00 -0.03 0.00 0.00 54.58 51.70 1s98 n ASN 85 Cb 0.31 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 1s98 n ASN 85 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s98 n GLU 86 N 0.48 0.62 -2.12 3.52 2.13 -0.74 -4.78 120.64 119.75 1s98 n GLU 86 Ca 0.15 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1s98 n GLU 86 Cb 0.61 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1s98 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s98 n GLY 87 N 1.96 -0.74 3.78 8.31 0.00 -0.89 -4.97 105.19 112.64 1s98 n GLY 87 Ca 0.18 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1s98 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s98 s PHE 88 N -1.95 2.81 0.08 1.61 0.40 -1.26 -1.81 117.98 117.85 1s98 s PHE 88 Ca 0.00 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.80 1s98 s PHE 88 Cb 0.00 -3.28 -0.00 0.00 0.51 0.00 0.00 43.02 40.25 1s98 s PHE 88 CO 0.00 -1.40 0.17 -1.59 0.70 0.00 0.00 175.22 173.11 1s98 s LYS 89 N -3.06 0.80 -0.06 0.44 -2.85 -0.73 -4.93 119.74 109.35 1s98 s LYS 89 Ca 0.68 -0.92 0.06 0.00 -1.00 0.00 0.00 55.97 54.79 1s98 s LYS 89 Cb -0.24 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.84 1s98 s LYS 89 CO 0.28 -0.24 -0.24 -0.06 0.10 0.00 0.00 175.35 175.19 1s98 s PHE 90 N -3.65 2.47 -0.34 1.78 0.08 -1.26 -1.12 117.98 115.95 1s98 s PHE 90 Ca 0.03 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.43 1s98 s PHE 90 Cb 0.04 -1.61 0.09 0.00 -0.57 0.00 0.00 43.02 40.97 1s98 s PHE 90 CO -0.10 -0.18 0.05 0.99 -0.10 0.00 0.00 175.22 175.88 1s98 s THR 91 N -0.19 2.56 -0.26 0.64 2.01 -0.36 -4.99 115.64 115.05 1s98 s THR 91 Ca -0.02 -2.07 0.02 0.00 0.31 0.00 0.00 61.69 59.93 1s98 s THR 91 Cb -0.13 -2.75 0.06 0.00 0.01 0.00 0.00 72.50 69.69 1s98 s THR 91 CO 0.03 -0.47 -0.06 0.21 -0.69 0.00 0.00 174.62 173.64 1s98 s ASN 92 N 1.17 4.17 0.54 3.53 3.04 -1.26 -0.53 114.94 125.60 1s98 s ASN 92 Ca 0.05 -1.36 0.36 0.00 0.04 0.00 0.00 52.86 51.95 1s98 s ASN 92 Cb -0.20 -1.35 1.78 0.00 -1.54 0.00 0.00 41.25 39.94 1s98 s ASN 92 CO -0.06 -0.24 2.09 1.55 -3.04 0.00 0.00 177.10 177.40 1s98 h PRO 93 N 7.86 0.00 0.00 0.43 0.13 -1.85 -2.44 132.00 136.13 1s98 h PRO 93 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1s98 h PRO 93 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1s98 h PRO 93 CO 0.44 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.30 1s98 h ASN 94 N 0.00 0.00 -3.84 1.44 2.35 -1.89 -3.45 115.58 110.19 1s98 h ASN 94 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 1s98 h ASN 94 Cb 0.20 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 38.31 1s98 h ASN 94 CO 0.00 0.00 -0.80 -0.69 -1.65 0.00 0.00 177.43 174.29 1s98 s VAL 95 N -3.19 2.78 0.12 2.81 1.01 -0.92 -5.13 120.40 117.89 1s98 s VAL 95 Ca 0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1s98 s VAL 95 Cb 0.10 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 1s98 s VAL 95 CO 0.58 0.57 0.46 -0.54 0.00 0.00 0.00 175.10 176.17 1s98 s LYS 96 N -0.27 3.82 -0.15 2.72 -0.14 -1.26 -4.84 119.74 119.62 1s98 s LYS 96 Ca 0.01 0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.59 1s98 s LYS 96 Cb -0.13 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.08 1s98 s LYS 96 CO 0.03 0.50 1.22 -0.51 -0.76 0.00 0.00 175.35 175.83 1s98 s ASP 97 N -1.86 6.99 0.00 2.83 1.01 -1.26 -5.18 116.67 119.21 1s98 s ASP 97 Ca 0.37 1.68 0.00 0.00 0.71 0.00 0.00 52.55 55.30 1s98 s ASP 97 Cb -0.14 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1s98 s ASP 97 CO 0.19 -0.71 0.00 -0.62 0.21 0.00 0.00 175.17 174.25