#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmz s GLU 2 N 0.00 1.95 0.71 3.17 0.41 -1.05 -4.94 118.70 118.95 2pmz s GLU 2 Ca 0.00 -2.60 -0.16 0.00 -0.41 0.00 0.00 54.97 51.80 2pmz s GLU 2 Cb 0.00 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.07 2pmz s GLU 2 CO 0.00 -1.11 1.24 -0.89 -0.49 0.00 0.00 175.26 174.01 2pmz n ILE 3 N 3.14 3.82 -3.15 -1.63 2.08 -1.26 -3.50 119.36 118.86 2pmz n ILE 3 Ca 0.05 -0.39 0.04 0.00 0.56 0.00 0.00 62.75 63.00 2pmz n ILE 3 Cb 0.32 -1.36 -0.00 0.00 -0.75 0.00 0.00 39.64 37.85 2pmz n ILE 3 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2pmz s ARG 4 N -3.61 0.56 0.03 0.38 3.52 -1.11 -4.95 118.95 113.77 2pmz s ARG 4 Ca 0.79 0.38 -0.35 0.00 -0.13 0.00 0.00 55.73 56.41 2pmz s ARG 4 Cb -0.35 0.21 -0.14 0.00 -1.56 0.00 0.00 34.95 33.11 2pmz s ARG 4 CO 0.44 -0.99 1.62 1.51 -0.81 0.00 0.00 175.30 177.08 2pmz n ILE 5 N 5.21 0.19 0.00 4.11 0.00 -1.26 -2.66 119.36 124.95 2pmz n ILE 5 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 62.75 62.78 2pmz n ILE 5 Cb 0.55 -1.43 0.00 0.00 0.00 0.00 0.00 39.64 38.76 2pmz n ILE 5 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pmz n LEU 6 N 4.29 0.83 -4.14 9.51 4.77 0.89 -4.93 117.00 128.21 2pmz n LEU 6 Ca 0.20 0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 2pmz n LEU 6 Cb 0.25 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 2pmz n LEU 6 CO 0.68 -0.06 -0.50 -0.75 -1.33 0.00 0.00 177.39 175.43 2pmz s LYS 7 N -0.12 1.78 0.04 3.23 2.20 -1.16 -4.97 119.74 120.74 2pmz s LYS 7 Ca 0.00 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 2pmz s LYS 7 Cb 0.00 -1.55 -0.01 0.00 -1.51 0.00 0.00 37.83 34.75 2pmz s LYS 7 CO 0.00 0.25 0.08 0.45 -0.36 0.00 0.00 175.35 175.78 2pmz s SER 8 N 0.01 0.19 -0.40 1.43 0.15 -1.26 0.78 113.70 114.60 2pmz s SER 8 Ca -0.03 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.05 2pmz s SER 8 Cb -0.11 0.22 0.21 0.00 -1.71 0.00 0.00 66.02 64.62 2pmz s SER 8 CO 0.02 -0.49 0.99 1.21 1.20 0.00 0.00 173.24 176.16 2pmz n GLU 9 N 0.81 0.25 0.00 5.44 4.07 -1.12 -5.01 120.64 125.08 2pmz n GLU 9 Ca -0.19 -1.18 0.00 0.00 -0.06 0.00 0.00 57.16 55.72 2pmz n GLU 9 Cb 0.58 -0.39 0.00 0.00 -0.06 0.00 0.00 31.44 31.57 2pmz n GLU 9 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2pmz n SER 10 N 2.65 0.00 -1.40 4.31 2.88 -1.26 -4.02 113.62 116.79 2pmz n SER 10 Ca 0.13 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2pmz n SER 10 Cb 0.62 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.21 2pmz n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2pmz n ASN 11 N 2.48 3.52 -3.52 -3.46 4.13 -1.26 -4.62 115.26 112.52 2pmz n ASN 11 Ca 0.00 -3.82 -0.11 0.00 1.68 0.00 0.00 54.58 52.33 2pmz n ASN 11 Cb 0.00 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 37.69 2pmz n ASN 11 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2pmz s TYR 12 N -3.42 -0.44 -0.22 3.10 5.04 -1.26 -2.69 117.35 117.45 2pmz s TYR 12 Ca 0.46 0.55 -0.07 0.00 -2.44 0.00 0.00 57.07 55.57 2pmz s TYR 12 Cb 0.40 0.49 0.10 0.00 0.35 0.00 0.00 41.96 43.30 2pmz s TYR 12 CO -0.01 -0.53 0.47 -1.17 -1.34 0.00 0.00 175.55 172.97 2pmz s LEU 13 N -1.81 -0.77 -0.50 6.97 2.96 -0.42 -2.78 118.68 122.33 2pmz s LEU 13 Ca -0.01 1.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.82 2pmz s LEU 13 Cb -0.01 1.57 0.07 0.00 0.50 0.00 0.00 46.19 48.32 2pmz s LEU 13 CO -0.02 -0.23 0.56 -0.70 -1.32 0.00 0.00 176.35 174.63 2pmz s GLU 14 N 2.68 3.07 -0.12 1.98 2.56 0.23 -2.26 118.70 126.84 2pmz s GLU 14 Ca -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 54.97 53.87 2pmz s GLU 14 Cb -0.12 -4.12 -0.02 0.00 2.00 0.00 0.00 34.13 31.86 2pmz s GLU 14 CO -0.14 -1.18 -0.09 -1.17 -0.56 0.00 0.00 175.26 172.11 2pmz s LEU 15 N 2.31 2.96 -0.56 2.70 2.96 0.44 -0.08 118.68 129.41 2pmz s LEU 15 Ca 0.11 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2pmz s LEU 15 Cb -0.21 -1.67 0.14 0.00 0.50 0.00 0.00 46.19 44.95 2pmz s LEU 15 CO 0.10 0.22 0.43 -0.70 -1.32 0.00 0.00 176.35 175.07 2pmz s GLU 16 N 0.06 2.65 -0.16 1.98 2.12 -1.09 0.15 118.70 124.41 2pmz s GLU 16 Ca -0.03 -2.05 -0.26 0.00 0.36 0.00 0.00 54.97 53.00 2pmz s GLU 16 Cb -0.14 -3.95 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 2pmz s GLU 16 CO 0.04 -1.20 0.86 0.42 -0.54 0.00 0.00 175.26 174.83 2pmz s ILE 17 N 0.85 4.86 -0.34 -3.70 1.01 0.22 -2.76 121.20 121.34 2pmz s ILE 17 Ca 0.10 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 62.31 2pmz s ILE 17 Cb -0.22 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2pmz s ILE 17 CO -0.03 0.02 0.24 -0.70 0.00 0.00 0.00 174.94 174.48 2pmz s GLU 18 N 2.15 3.46 0.00 2.79 2.12 -1.23 -0.32 118.70 127.67 2pmz s GLU 18 Ca 0.40 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2pmz s GLU 18 Cb -0.17 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2pmz s GLU 18 CO 0.13 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2pmz n GLY 19 N 5.11 1.02 3.23 -1.50 0.00 0.15 -2.52 105.19 110.67 2pmz n GLY 19 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2pmz n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pmz s GLU 20 N -0.69 1.14 0.00 1.61 0.41 -1.26 -4.93 118.70 114.98 2pmz s GLU 20 Ca 0.00 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 2pmz s GLU 20 Cb 0.00 -1.28 0.00 0.00 -1.78 0.00 0.00 34.13 31.07 2pmz s GLU 20 CO 0.00 0.31 0.00 -0.40 -0.49 0.00 0.00 175.26 174.68 2pmz n ASP 21 N 1.54 0.41 0.00 -0.19 5.68 -1.26 -4.03 116.55 118.69 2pmz n ASP 21 Ca -0.19 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.11 2pmz n ASP 21 Cb 0.54 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.55 2pmz n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2pmz n HIS 22 N 0.00 0.00 -0.02 2.11 8.25 -1.26 0.11 115.22 124.42 2pmz n HIS 22 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2pmz n HIS 22 Cb 0.00 -0.48 -0.00 0.00 1.12 0.00 0.00 29.99 30.63 2pmz n HIS 22 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2pmz h THR 23 N 0.00 0.00 0.04 1.59 2.02 -1.98 -2.91 112.91 111.68 2pmz h THR 23 Ca 0.00 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 2pmz h THR 23 Cb 0.03 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2pmz h THR 23 CO 0.00 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.12 2pmz h LEU 24 N -0.81 -0.05 -0.51 2.58 7.12 -1.80 -2.82 115.31 119.02 2pmz h LEU 24 Ca -0.01 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2pmz h LEU 24 Cb 0.04 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2pmz h LEU 24 CO 0.01 0.32 0.00 0.61 -0.13 0.00 0.00 178.44 179.25 2pmz n GLY 25 N -0.14 -0.92 0.08 3.75 0.00 0.31 -1.50 105.19 106.78 2pmz n GLY 25 Ca -0.08 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2pmz n GLY 25 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pmz n ASN 26 N -1.87 1.36 -0.06 1.61 5.15 -1.10 -4.15 115.26 116.21 2pmz n ASN 26 Ca 0.01 -0.02 -0.12 0.00 -0.60 0.00 0.00 54.58 53.85 2pmz n ASN 26 Cb 0.11 0.67 -0.00 0.00 -0.53 0.00 0.00 39.78 40.03 2pmz n ASN 26 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2pmz h LEU 27 N 0.00 0.87 0.00 1.20 5.85 -1.29 -2.00 115.31 119.94 2pmz h LEU 27 Ca -0.43 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2pmz h LEU 27 Cb 1.92 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.70 2pmz h LEU 27 CO 0.01 1.21 0.00 -0.38 -0.34 0.00 0.00 178.44 178.94 2pmz n ILE 28 N -4.01 0.00 -0.37 4.05 2.08 -0.56 -2.37 119.36 118.18 2pmz n ILE 28 Ca -0.03 0.71 0.29 0.00 0.56 0.00 0.00 62.75 64.28 2pmz n ILE 28 Cb 0.59 -1.69 0.58 0.00 -0.75 0.00 0.00 39.64 38.37 2pmz n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pmz h ALA 29 N -2.02 2.48 -0.04 -1.39 0.00 -1.72 0.34 119.26 116.90 2pmz h ALA 29 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2pmz h ALA 29 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pmz h ALA 29 CO 0.00 -0.96 -0.06 0.78 0.00 0.00 0.00 179.25 179.01 2pmz h GLY 30 N 0.25 0.07 0.98 0.00 0.00 -1.43 -0.01 103.07 102.92 2pmz h GLY 30 Ca 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2pmz h GLY 30 CO -0.32 0.03 -0.83 2.41 0.00 0.00 0.00 176.54 177.83 2pmz n THR 31 N -4.43 0.39 0.12 4.70 -1.04 0.11 -4.06 114.28 110.06 2pmz n THR 31 Ca -0.02 -0.35 -0.01 0.00 -2.04 0.00 0.00 64.05 61.63 2pmz n THR 31 Cb 0.16 -0.11 0.03 0.00 -1.82 0.00 0.00 70.33 68.59 2pmz n THR 31 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pmz h LEU 32 N 0.00 0.00 -0.57 -4.42 3.38 0.02 -2.92 115.31 110.81 2pmz h LEU 32 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2pmz h LEU 32 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2pmz h LEU 32 CO 0.00 0.69 -0.57 0.03 0.09 0.00 0.00 178.44 178.68 2pmz h ARG 33 N 0.00 0.45 0.00 1.13 3.08 -1.55 -3.07 114.38 114.41 2pmz h ARG 33 Ca -0.01 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2pmz h ARG 33 Cb 1.43 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2pmz h ARG 33 CO 0.09 0.89 -0.14 0.54 -1.07 0.00 0.00 179.97 180.28 2pmz n ARG 34 N -3.93 0.05 -2.82 0.04 1.74 -1.22 -4.53 116.66 105.99 2pmz n ARG 34 Ca -0.03 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 2pmz n ARG 34 Cb 0.61 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 2pmz n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pmz s ILE 35 N -3.02 4.58 -0.34 0.55 -1.09 -1.11 -4.60 121.20 116.17 2pmz s ILE 35 Ca 0.12 1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 59.56 2pmz s ILE 35 Cb 0.17 -4.34 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2pmz s ILE 35 CO 0.59 -0.57 0.20 -1.54 -1.23 0.00 0.00 174.94 172.38 2pmz n SER 36 N 6.81 -1.23 -2.42 3.58 3.41 -1.26 -1.89 113.62 120.63 2pmz n SER 36 Ca 0.07 -0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.19 2pmz n SER 36 Cb 0.48 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2pmz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pmz n GLY 37 N -1.22 -0.46 3.56 5.00 0.00 -1.26 -4.86 105.19 105.96 2pmz n GLY 37 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2pmz n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pmz s VAL 38 N -2.54 3.14 0.00 1.61 1.01 -0.79 -4.52 120.40 118.30 2pmz s VAL 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2pmz s VAL 38 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2pmz s VAL 38 CO 0.00 -0.28 0.00 -0.24 0.00 0.00 0.00 175.10 174.58 2pmz n SER 39 N 17.49 0.00 -3.64 3.32 2.88 -1.04 -4.33 113.62 128.30 2pmz n SER 39 Ca 0.45 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 2pmz n SER 39 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 2pmz n SER 39 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2pmz s PHE 40 N -2.94 -0.94 -0.11 0.66 5.36 -0.70 -4.95 117.98 114.35 2pmz s PHE 40 Ca 0.00 1.97 -0.05 0.00 -0.96 0.00 0.00 56.93 57.89 2pmz s PHE 40 Cb 0.00 0.52 0.05 0.00 -0.34 0.00 0.00 43.02 43.25 2pmz s PHE 40 CO 0.00 -0.46 0.26 0.00 -1.46 0.00 0.00 175.22 173.55 2pmz s ALA 41 N 1.29 -0.59 0.23 11.12 0.00 -1.26 -0.59 121.76 131.96 2pmz s ALA 41 Ca -0.07 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 2pmz s ALA 41 Cb -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.44 2pmz s ALA 41 CO -0.14 -0.23 0.84 -1.54 0.00 0.00 0.00 175.76 174.69 2pmz s SER 42 N 1.34 -0.20 0.39 0.00 1.04 -0.97 -4.82 113.70 110.48 2pmz s SER 42 Ca -0.09 -0.56 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 2pmz s SER 42 Cb -0.10 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.70 2pmz s SER 42 CO -0.09 -1.17 0.77 -0.72 0.98 0.00 0.00 173.24 173.01 2pmz s TYR 43 N -3.48 0.25 -2.21 5.02 -0.85 -1.26 -1.08 117.35 113.75 2pmz s TYR 43 Ca 0.12 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.77 2pmz s TYR 43 Cb -0.04 0.76 0.00 0.00 0.38 0.00 0.00 41.96 43.06 2pmz s TYR 43 CO 0.05 -1.56 0.00 2.48 -1.52 0.00 0.00 175.55 175.00 2pmz n TYR 44 N -0.54 0.00 -3.75 -3.49 -0.00 -1.14 -5.01 117.16 103.23 2pmz n TYR 44 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.69 2pmz n TYR 44 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.85 2pmz n TYR 44 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 2pmz s GLN 45 N -0.88 0.66 0.05 -3.48 1.03 -1.26 -2.56 119.66 113.22 2pmz s GLN 45 Ca 0.00 -0.09 -0.14 0.00 0.04 0.00 0.00 55.36 55.18 2pmz s GLN 45 Cb 0.00 0.30 -0.05 0.00 0.03 0.00 0.00 33.01 33.29 2pmz s GLN 45 CO 0.00 -0.18 1.23 -1.35 -2.54 0.00 0.00 175.29 172.45 2pmz h PRO 46 N 4.02 -0.16 -1.22 9.60 0.11 -1.87 -3.46 132.00 139.01 2pmz h PRO 46 Ca -0.29 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.99 2pmz h PRO 46 Cb 1.18 0.04 -0.31 0.00 0.11 0.00 0.00 31.00 32.01 2pmz h PRO 46 CO 0.39 -0.11 0.71 -3.38 -0.21 0.00 0.00 178.00 175.40 2pmz s HIS 47 N -4.10 -0.20 0.00 0.65 -3.43 -1.26 -5.07 115.29 101.89 2pmz s HIS 47 Ca -0.06 0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2pmz s HIS 47 Cb 0.03 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2pmz s HIS 47 CO 0.25 -0.10 0.00 -2.30 -2.00 0.00 0.00 174.74 170.60 2pmz n PRO 48 N 2.35 0.00 -0.47 -0.38 -0.02 -1.26 -1.84 135.00 133.38 2pmz n PRO 48 Ca -0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 2pmz n PRO 48 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.01 2pmz n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pmz n LEU 49 N -2.78 2.92 0.00 2.45 7.99 -1.26 -4.32 117.00 122.00 2pmz n LEU 49 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 56.01 53.97 2pmz n LEU 49 Cb 0.00 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 2pmz n LEU 49 CO 0.00 0.20 0.00 -1.54 -1.51 0.00 0.00 177.39 174.54 2pmz n SER 50 N 3.78 0.00 -3.43 -1.43 3.41 -0.76 -5.06 113.62 110.13 2pmz n SER 50 Ca 0.26 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.51 2pmz n SER 50 Cb 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2pmz n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2pmz n ASP 51 N 0.00 5.62 -3.72 4.04 -0.08 -1.26 -4.65 116.55 116.49 2pmz n ASP 51 Ca 0.00 -2.59 -0.12 0.00 -1.51 0.00 0.00 54.79 50.57 2pmz n ASP 51 Cb 0.00 -1.39 -0.12 0.00 2.34 0.00 0.00 41.12 41.95 2pmz n ASP 51 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2pmz s LYS 52 N 3.18 0.30 0.47 -0.67 1.02 -1.26 -0.68 119.74 122.10 2pmz s LYS 52 Ca 0.55 0.60 0.06 0.00 0.02 0.00 0.00 55.97 57.19 2pmz s LYS 52 Cb 0.14 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.41 2pmz s LYS 52 CO -0.03 -0.14 0.22 0.96 -0.92 0.00 0.00 175.35 175.44 2pmz s ILE 53 N 1.09 1.91 -0.02 2.17 -4.36 0.56 -3.75 121.20 118.80 2pmz s ILE 53 Ca -0.08 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 58.63 2pmz s ILE 53 Cb -0.08 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.07 2pmz s ILE 53 CO -0.08 0.00 0.03 -0.63 0.24 0.00 0.00 174.94 174.50 2pmz s ILE 54 N -2.70 -0.06 -0.13 8.37 1.01 -1.06 -0.61 121.20 126.02 2pmz s ILE 54 Ca 0.33 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2pmz s ILE 54 Cb 0.02 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.38 2pmz s ILE 54 CO 0.19 0.10 -0.14 0.68 0.00 0.00 0.00 174.94 175.76 2pmz s VAL 55 N 1.17 2.95 -0.17 2.92 -7.23 0.39 -2.87 120.40 117.56 2pmz s VAL 55 Ca -0.08 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 2pmz s VAL 55 Cb -0.13 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2pmz s VAL 55 CO -0.03 0.53 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.75 2pmz s LYS 56 N 0.35 3.73 -0.06 4.82 1.02 -0.24 -0.42 119.74 128.94 2pmz s LYS 56 Ca -0.12 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2pmz s LYS 56 Cb -0.16 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2pmz s LYS 56 CO 0.06 0.19 -0.09 0.42 -0.92 0.00 0.00 175.35 175.01 2pmz s ILE 57 N 0.54 0.89 -0.45 2.17 1.01 -0.96 -2.30 121.20 122.10 2pmz s ILE 57 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2pmz s ILE 57 Cb -0.14 -0.85 0.13 0.00 0.01 0.00 0.00 42.46 41.61 2pmz s ILE 57 CO 0.02 0.31 0.23 -0.22 0.00 0.00 0.00 174.94 175.28 2pmz s LEU 58 N 0.89 3.21 0.65 2.97 2.96 0.24 -1.31 118.68 128.29 2pmz s LEU 58 Ca -0.11 -2.66 -0.11 0.00 -0.22 0.00 0.00 54.13 51.03 2pmz s LEU 58 Cb -0.15 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2pmz s LEU 58 CO 0.01 -0.27 1.05 0.28 -1.32 0.00 0.00 176.35 176.10 2pmz s THR 59 N 0.27 4.21 -0.74 3.68 -1.32 -1.10 -1.73 115.64 118.91 2pmz s THR 59 Ca 0.17 0.69 0.01 0.00 -1.21 0.00 0.00 61.69 61.35 2pmz s THR 59 Cb -0.24 -3.71 0.36 0.00 -1.51 0.00 0.00 72.50 67.40 2pmz s THR 59 CO -0.01 -0.92 1.54 -0.90 -2.21 0.00 0.00 174.62 172.12 2pmz n ASP 60 N -2.84 6.20 0.00 8.08 3.85 -1.26 -4.77 116.55 125.81 2pmz n ASP 60 Ca 0.06 -3.75 0.00 0.00 -0.71 0.00 0.00 54.79 50.40 2pmz n ASP 60 Cb 0.55 -0.84 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 2pmz n ASP 60 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pmz n GLY 61 N -0.36 1.05 0.06 6.12 0.00 -1.26 -4.62 105.19 106.18 2pmz n GLY 61 Ca 0.44 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.47 2pmz n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pmz n SER 62 N 2.73 -0.02 -4.07 1.61 7.64 -1.26 -4.13 113.62 116.12 2pmz n SER 62 Ca 0.00 0.30 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 2pmz n SER 62 Cb 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 2pmz n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pmz s ILE 63 N -4.90 0.21 0.32 0.44 -1.09 -1.26 -5.11 121.20 109.80 2pmz s ILE 63 Ca -0.02 -1.71 -0.13 0.00 -2.23 0.00 0.00 60.65 56.56 2pmz s ILE 63 Cb 0.05 -1.44 -0.08 0.00 -1.58 0.00 0.00 42.46 39.41 2pmz s ILE 63 CO 0.14 -0.95 0.70 -0.89 -1.23 0.00 0.00 174.94 172.71 2pmz s THR 64 N -3.78 4.76 0.19 2.92 2.01 -1.26 -4.45 115.64 116.04 2pmz s THR 64 Ca 0.06 0.76 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 2pmz s THR 64 Cb 0.07 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 69.05 2pmz s THR 64 CO -0.10 -0.23 1.77 1.55 -0.69 0.00 0.00 174.62 176.93 2pmz h PRO 65 N 2.11 0.48 -0.99 4.92 0.13 -1.89 0.97 132.00 137.72 2pmz h PRO 65 Ca -0.47 -0.03 0.35 0.00 -0.87 0.00 0.00 66.00 64.98 2pmz h PRO 65 Cb 1.18 -0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.02 2pmz h PRO 65 CO 0.66 0.31 0.36 0.87 -0.23 0.00 0.00 178.00 179.98 2pmz h LYS 66 N 0.49 0.04 0.06 0.86 1.57 -1.92 0.58 116.57 118.26 2pmz h LYS 66 Ca 0.27 -0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.67 2pmz h LYS 66 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2pmz h LYS 66 CO -0.22 0.03 -2.23 -0.25 -0.57 0.00 0.00 179.45 176.21 2pmz n ASP 67 N -5.31 2.04 0.24 0.86 8.00 -0.61 -4.05 116.55 117.70 2pmz n ASP 67 Ca 0.32 0.04 0.08 0.00 0.71 0.00 0.00 54.79 55.95 2pmz n ASP 67 Cb 1.06 -0.63 0.45 0.00 -0.02 0.00 0.00 41.12 41.98 2pmz n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pmz h ALA 68 N 0.05 1.33 0.01 2.24 0.00 0.28 0.48 119.26 123.65 2pmz h ALA 68 Ca -0.50 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2pmz h ALA 68 Cb 1.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 2pmz h ALA 68 CO 0.00 -0.33 -1.22 1.25 0.00 0.00 0.00 179.25 178.95 2pmz h LEU 69 N 0.00 0.02 -1.72 0.00 6.46 -1.13 -3.28 115.31 115.66 2pmz h LEU 69 Ca 0.00 -0.56 0.13 0.00 -0.12 0.00 0.00 57.88 57.34 2pmz h LEU 69 Cb 0.81 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 2pmz h LEU 69 CO 0.00 1.48 0.43 -0.07 -0.62 0.00 0.00 178.44 179.66 2pmz h LEU 70 N -0.95 0.27 -0.03 2.25 4.07 -0.27 1.53 115.31 122.18 2pmz h LEU 70 Ca -0.33 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.64 2pmz h LEU 70 Cb 1.32 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 2pmz h LEU 70 CO -0.19 0.15 0.02 0.50 -1.08 0.00 0.00 178.44 177.84 2pmz h LYS 71 N 0.29 0.04 -0.89 1.13 1.63 -1.27 0.40 116.57 117.90 2pmz h LYS 71 Ca 0.31 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 2pmz h LYS 71 Cb 0.79 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.37 2pmz h LYS 71 CO -0.07 0.09 0.51 0.00 -3.45 0.00 0.00 179.45 176.53 2pmz h ALA 72 N 0.95 1.14 0.10 5.00 0.00 0.27 0.52 119.26 127.24 2pmz h ALA 72 Ca 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pmz h ALA 72 Cb 0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2pmz h ALA 72 CO -0.00 0.63 -0.27 0.82 0.00 0.00 0.00 179.25 180.43 2pmz h ILE 73 N 1.24 0.41 0.69 0.00 1.08 0.26 0.32 117.51 121.52 2pmz h ILE 73 Ca 0.32 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.76 2pmz h ILE 73 Cb 0.00 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 2pmz h ILE 73 CO -0.05 0.00 -0.49 -0.08 -0.69 0.00 0.00 178.15 176.84 2pmz h GLU 74 N -0.47 -1.09 -0.76 2.37 4.22 0.36 -2.26 114.58 116.95 2pmz h GLU 74 Ca 0.03 0.07 0.12 0.00 0.08 0.00 0.00 59.36 59.67 2pmz h GLU 74 Cb 0.50 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 2pmz h GLU 74 CO -0.17 -0.73 -0.30 0.09 -2.18 0.00 0.00 179.01 175.73 2pmz n ASN 75 N -5.60 -0.50 -0.36 1.04 4.13 0.18 0.14 115.26 114.28 2pmz n ASN 75 Ca -0.14 1.33 0.00 0.00 1.68 0.00 0.00 54.58 57.45 2pmz n ASN 75 Cb 0.49 -0.30 0.14 0.00 -1.54 0.00 0.00 39.78 38.56 2pmz n ASN 75 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2pmz h ILE 76 N 0.00 1.15 0.00 2.41 1.08 -0.61 -1.88 117.51 119.67 2pmz h ILE 76 Ca 0.26 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2pmz h ILE 76 Cb 0.46 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2pmz h ILE 76 CO -0.76 0.22 0.00 -1.14 -0.69 0.00 0.00 178.15 175.79 2pmz n ARG 77 N -4.47 0.00 -0.07 2.37 0.63 0.36 -0.34 116.66 115.14 2pmz n ARG 77 Ca 0.13 0.73 -0.07 0.00 -0.92 0.00 0.00 57.85 57.72 2pmz n ARG 77 Cb 0.11 -1.45 -0.01 0.00 0.45 0.00 0.00 32.46 31.56 2pmz n ARG 77 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2pmz h GLY 78 N 0.00 -0.06 -0.76 5.14 0.00 -1.47 -1.11 103.07 104.81 2pmz h GLY 78 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.67 2pmz h GLY 78 CO 0.00 -0.19 -0.45 -0.13 0.00 0.00 0.00 176.54 175.77 2pmz n MET 79 N -5.37 -0.33 -0.27 4.80 0.00 -0.71 -0.78 117.12 114.46 2pmz n MET 79 Ca 0.00 1.29 0.01 0.00 -0.00 0.00 0.00 57.70 59.01 2pmz n MET 79 Cb 0.28 -1.91 0.22 0.00 0.00 0.00 0.00 33.22 31.82 2pmz n MET 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2pmz h THR 80 N 0.00 1.17 0.45 1.12 2.02 0.00 -3.15 112.91 114.52 2pmz h THR 80 Ca 0.12 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2pmz h THR 80 Cb 0.31 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2pmz h THR 80 CO -0.71 0.20 -0.21 0.28 0.37 0.00 0.00 175.52 175.44 2pmz h SER 81 N 1.08 -0.51 -0.77 4.18 0.02 0.29 -2.78 113.55 115.07 2pmz h SER 81 Ca 0.32 -0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.38 2pmz h SER 81 Cb -0.04 0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.52 2pmz h SER 81 CO -0.08 -0.27 0.27 0.45 -1.14 0.00 0.00 176.83 176.06 2pmz h HIS 82 N -0.73 0.44 -0.57 3.45 3.86 -1.36 0.54 115.15 120.78 2pmz h HIS 82 Ca -0.06 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 2pmz h HIS 82 Cb 0.53 -0.08 -0.11 0.00 1.06 0.00 0.00 27.41 28.81 2pmz h HIS 82 CO -0.02 -0.01 -0.24 -0.92 0.86 0.00 0.00 177.93 177.61 2pmz h TYR 83 N 0.37 -0.60 -0.27 2.45 3.20 -1.49 1.17 116.97 121.81 2pmz h TYR 83 Ca 0.44 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.40 2pmz h TYR 83 Cb 0.72 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 2pmz h TYR 83 CO -0.20 -0.32 0.06 0.82 -1.64 0.00 0.00 178.16 176.88 2pmz h ILE 84 N -0.10 0.88 0.13 1.81 2.04 0.27 0.21 117.51 122.76 2pmz h ILE 84 Ca 0.26 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2pmz h ILE 84 Cb 0.50 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2pmz h ILE 84 CO -0.63 0.03 -0.06 0.44 0.00 0.00 0.00 178.15 177.93 2pmz h ASP 85 N 0.16 -0.15 0.09 1.72 3.32 0.11 -1.74 116.42 119.94 2pmz h ASP 85 Ca 0.12 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2pmz h ASP 85 Cb 0.12 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2pmz h ASP 85 CO -0.16 -0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.70 2pmz n GLU 86 N -5.13 0.52 -0.09 3.56 1.02 0.38 -1.83 120.64 119.06 2pmz n GLU 86 Ca -0.08 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.93 2pmz n GLU 86 Cb 0.12 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 2pmz n GLU 86 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2pmz n ILE 87 N -1.08 1.49 0.31 -3.67 3.06 0.72 -3.51 119.36 116.68 2pmz n ILE 87 Ca 0.13 0.04 0.19 0.00 -2.50 0.00 0.00 62.75 60.62 2pmz n ILE 87 Cb 0.09 -2.18 0.91 0.00 0.54 0.00 0.00 39.64 39.00 2pmz n ILE 87 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 2pmz h LYS 88 N -1.00 0.00 -0.31 9.51 1.57 -1.37 -2.21 116.57 122.76 2pmz h LYS 88 Ca -0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2pmz h LYS 88 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2pmz h LYS 88 CO -0.14 0.00 0.17 0.78 -0.57 0.00 0.00 179.45 179.69 2pmz h GLY 89 N 1.16 0.47 -5.89 3.86 0.00 -1.48 -3.25 103.07 97.94 2pmz h GLY 89 Ca 0.00 -0.21 -0.68 0.00 0.00 0.00 0.00 47.33 46.44 2pmz h GLY 89 CO 0.00 0.20 0.01 1.04 0.00 0.00 0.00 176.54 177.79 2pmz n LEU 90 N -4.81 5.42 0.00 3.11 4.32 -0.83 -4.75 117.00 119.46 2pmz n LEU 90 Ca -0.01 -5.51 0.00 0.00 -0.02 0.00 0.00 56.01 50.46 2pmz n LEU 90 Cb 0.07 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 2pmz n LEU 90 CO 0.35 2.15 0.00 0.35 -1.22 0.00 0.00 177.39 179.02 2pmz n THR 91 N 0.15 0.00 0.00 -5.08 -2.24 -1.22 -4.98 114.28 100.90 2pmz n THR 91 Ca 0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 2pmz n THR 91 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2pmz n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79