#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 1.99 0.69 3.17 0.41 -1.08 -4.94 118.70 118.94 2pmz s GLU 2 Ca 0.00 -2.66 -0.17 0.00 -0.41 0.00 0.00 54.97 51.73 2pmz s GLU 2 Cb 0.00 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2pmz s GLU 2 CO 0.00 -1.13 1.17 -0.89 -0.49 0.00 0.00 175.26 173.92 2pmz n ILE 3 N 3.02 3.83 -3.15 -1.63 2.08 -1.26 -3.52 119.36 118.73 2pmz n ILE 3 Ca 0.07 -0.42 0.04 0.00 0.56 0.00 0.00 62.75 63.00 2pmz n ILE 3 Cb 0.32 -1.31 -0.00 0.00 -0.75 0.00 0.00 39.64 37.90 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 -3.43 0.55 0.01 0.38 3.52 -1.11 -4.95 118.95 113.92 2pmz s ARG 4 Ca 0.78 0.44 -0.35 0.00 -0.13 0.00 0.00 55.73 56.47 2pmz s ARG 4 Cb -0.36 0.22 -0.14 0.00 -1.56 0.00 0.00 34.95 33.11 2pmz s ARG 4 CO 0.45 -1.00 1.66 1.51 -0.81 0.00 0.00 175.30 177.11 2pmz n ILE 5 N 5.29 0.23 0.00 4.11 0.00 -1.26 -2.72 119.36 125.00 2pmz n ILE 5 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 62.75 62.77 2pmz n ILE 5 Cb 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 39.64 38.70 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 4.57 0.85 -4.10 9.51 4.77 0.80 -4.94 117.00 128.45 2pmz n LEU 6 Ca 0.20 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.97 2pmz n LEU 6 Cb 0.25 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.06 2pmz n LEU 6 CO 0.69 -0.12 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.39 2pmz s LYS 7 N -0.24 1.70 0.03 3.23 2.20 -1.17 -4.97 119.74 120.52 2pmz s LYS 7 Ca 0.00 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 2pmz s LYS 7 Cb 0.00 -1.46 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 2pmz s LYS 7 CO 0.00 0.18 0.06 0.45 -0.36 0.00 0.00 175.35 175.68 2pmz s SER 8 N 0.19 0.22 -0.40 1.43 0.15 -1.26 0.11 113.70 114.15 2pmz s SER 8 Ca -0.06 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.00 2pmz s SER 8 Cb -0.12 0.20 0.22 0.00 -1.71 0.00 0.00 66.02 64.61 2pmz s SER 8 CO 0.02 -0.48 1.01 1.21 1.20 0.00 0.00 173.24 176.21 2pmz n GLU 9 N 0.86 0.26 0.00 5.44 4.07 -1.13 -5.01 120.64 125.14 2pmz n GLU 9 Ca -0.19 -1.17 0.00 0.00 -0.06 0.00 0.00 57.16 55.74 2pmz n GLU 9 Cb 0.58 -0.44 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 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 2.49 0.00 -1.41 4.31 2.88 -1.26 -4.06 113.62 116.56 2pmz n SER 10 Ca 0.12 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.55 2pmz n SER 10 Cb 0.63 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.20 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 2.65 3.56 -3.52 -3.46 4.13 -1.26 -4.63 115.26 112.74 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 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.77 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 -3.44 -0.42 -0.25 3.10 5.04 -1.26 -2.79 117.35 117.33 2pmz s TYR 12 Ca 0.46 0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 55.48 2pmz s TYR 12 Cb 0.39 0.50 0.12 0.00 0.35 0.00 0.00 41.96 43.32 2pmz s TYR 12 CO -0.01 -0.53 0.52 -1.17 -1.34 0.00 0.00 175.55 173.02 2pmz s LEU 13 N -1.96 -0.90 -0.51 6.97 2.96 -0.51 -2.82 118.68 121.92 2pmz s LEU 13 Ca 0.01 1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 54.87 2pmz s LEU 13 Cb -0.01 1.76 0.06 0.00 0.50 0.00 0.00 46.19 48.50 2pmz s LEU 13 CO -0.04 -0.24 0.63 -0.70 -1.32 0.00 0.00 176.35 174.68 2pmz s GLU 14 N 2.74 3.12 -0.12 1.98 2.56 0.31 -2.34 118.70 126.94 2pmz s GLU 14 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 54.97 54.04 2pmz s GLU 14 Cb -0.13 -4.11 -0.02 0.00 2.00 0.00 0.00 34.13 31.87 2pmz s GLU 14 CO -0.16 -1.23 -0.08 -1.17 -0.56 0.00 0.00 175.26 172.06 2pmz s LEU 15 N 2.61 3.03 -0.58 2.70 2.96 0.60 -0.14 118.68 129.86 2pmz s LEU 15 Ca 0.15 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2pmz s LEU 15 Cb -0.20 -1.69 0.15 0.00 0.50 0.00 0.00 46.19 44.95 2pmz s LEU 15 CO 0.12 0.22 0.44 -0.70 -1.32 0.00 0.00 176.35 175.10 2pmz s GLU 16 N 0.04 2.65 -0.16 1.98 2.12 -1.10 0.16 118.70 124.39 2pmz s GLU 16 Ca -0.02 -2.16 -0.27 0.00 0.36 0.00 0.00 54.97 52.88 2pmz s GLU 16 Cb -0.14 -3.91 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 2pmz s GLU 16 CO 0.03 -1.19 0.93 0.42 -0.54 0.00 0.00 175.26 174.92 2pmz s ILE 17 N 0.64 4.80 -0.32 -3.70 1.01 -0.12 -2.74 121.20 120.77 2pmz s ILE 17 Ca 0.12 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 62.50 2pmz s ILE 17 Cb -0.21 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 2pmz s ILE 17 CO -0.03 -0.03 0.22 -0.70 0.00 0.00 0.00 174.94 174.40 2pmz s GLU 18 N 2.34 3.66 0.00 2.79 2.12 -1.23 -0.50 118.70 127.88 2pmz s GLU 18 Ca 0.43 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2pmz s GLU 18 Cb -0.17 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.47 2pmz s GLU 18 CO 0.13 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2pmz n GLY 19 N 5.09 0.91 3.30 -1.50 0.00 0.37 -2.62 105.19 110.74 2pmz n GLY 19 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.78 1.22 0.00 1.61 0.41 -1.26 -4.94 118.70 114.96 2pmz s GLU 20 Ca 0.00 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 2pmz s GLU 20 Cb 0.00 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 2pmz s GLU 20 CO 0.00 0.36 0.00 -0.40 -0.49 0.00 0.00 175.26 174.73 2pmz n ASP 21 N 1.16 0.73 0.00 -0.19 5.68 -1.26 -4.07 116.55 118.60 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 0.53 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.04 2.11 8.25 -1.26 0.17 115.22 124.45 2pmz n HIS 22 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2pmz n HIS 22 Cb 0.00 -0.45 -0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 0.14 1.59 2.02 -1.98 -2.95 112.91 111.73 2pmz h THR 23 Ca 0.00 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2pmz h THR 23 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 2pmz h THR 23 CO 0.00 0.00 -0.07 0.25 0.37 0.00 0.00 175.52 176.07 2pmz h LEU 24 N -0.96 -0.16 -0.69 2.58 7.12 -1.79 -2.91 115.31 118.50 2pmz h LEU 24 Ca -0.00 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2pmz h LEU 24 Cb 0.02 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2pmz h LEU 24 CO 0.00 0.27 0.00 0.61 -0.13 0.00 0.00 178.44 179.20 2pmz n GLY 25 N 0.05 -0.82 0.07 3.75 0.00 0.45 -1.43 105.19 107.25 2pmz n GLY 25 Ca -0.09 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.92 1.60 -0.06 1.61 5.15 -1.11 -4.20 115.26 116.33 2pmz n ASN 26 Ca 0.00 -0.02 -0.13 0.00 -0.60 0.00 0.00 54.58 53.84 2pmz n ASN 26 Cb 0.07 0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 39.99 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 -1.91 115.31 120.04 2pmz h LEU 27 Ca -0.40 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 57.88 2pmz h LEU 27 Cb 1.85 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2pmz h LEU 27 CO 0.01 1.22 0.00 -0.38 -0.34 0.00 0.00 178.44 178.95 2pmz n ILE 28 N -4.01 0.00 -0.38 4.05 2.08 -0.52 -2.39 119.36 118.20 2pmz n ILE 28 Ca -0.03 0.66 0.31 0.00 0.56 0.00 0.00 62.75 64.25 2pmz n ILE 28 Cb 0.60 -1.62 0.62 0.00 -0.75 0.00 0.00 39.64 38.49 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 -2.06 2.66 -0.07 -1.39 0.00 -1.73 0.45 119.26 117.13 2pmz h ALA 29 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pmz h ALA 29 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pmz h ALA 29 CO 0.00 -1.12 -0.05 0.78 0.00 0.00 0.00 179.25 178.85 2pmz h GLY 30 N 0.20 0.11 0.93 0.00 0.00 -1.40 -0.39 103.07 102.51 2pmz h GLY 30 Ca 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2pmz h GLY 30 CO -0.25 0.05 -0.86 2.41 0.00 0.00 0.00 176.54 177.89 2pmz n THR 31 N -4.42 0.35 0.12 4.70 -1.04 0.15 -4.04 114.28 110.11 2pmz n THR 31 Ca -0.02 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2pmz n THR 31 Cb 0.17 -0.08 0.05 0.00 -1.82 0.00 0.00 70.33 68.66 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 -0.55 -4.42 3.38 -0.10 -2.91 115.31 110.71 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 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2pmz h LEU 32 CO 0.00 0.64 -0.57 0.03 0.09 0.00 0.00 178.44 178.63 2pmz h ARG 33 N 0.00 0.48 0.00 1.13 3.08 -1.54 -3.08 114.38 114.46 2pmz h ARG 33 Ca -0.01 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2pmz h ARG 33 Cb 1.38 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2pmz h ARG 33 CO 0.08 0.92 -0.08 0.54 -1.07 0.00 0.00 179.97 180.36 2pmz n ARG 34 N -3.94 0.14 -2.80 0.04 1.74 -1.22 -4.52 116.66 106.11 2pmz n ARG 34 Ca -0.03 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 2pmz n ARG 34 Cb 0.61 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.06 4.57 -0.37 0.55 -1.09 -1.10 -4.58 121.20 116.11 2pmz s ILE 35 Ca 0.12 1.16 -0.11 0.00 -2.23 0.00 0.00 60.65 59.59 2pmz s ILE 35 Cb 0.15 -4.34 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 2pmz s ILE 35 CO 0.59 -0.57 0.21 -1.54 -1.23 0.00 0.00 174.94 172.40 2pmz n SER 36 N 6.82 -1.28 -2.73 3.58 3.41 -1.26 -1.69 113.62 120.47 2pmz n SER 36 Ca 0.07 -0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.13 2pmz n SER 36 Cb 0.48 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.28 -0.50 3.56 5.00 0.00 -1.26 -4.86 105.19 105.86 2pmz n GLY 37 Ca -0.04 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.66 3.19 0.00 1.61 1.01 -0.68 -4.52 120.40 118.34 2pmz s VAL 38 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2pmz s VAL 38 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2pmz s VAL 38 CO 0.15 -0.40 0.00 -0.24 0.00 0.00 0.00 175.10 174.61 2pmz n SER 39 N 16.69 0.00 -3.64 3.32 2.88 -1.05 -4.31 113.62 127.51 2pmz n SER 39 Ca 0.44 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 2pmz n SER 39 Cb 0.45 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 -3.02 -0.96 -0.10 0.66 5.36 -0.77 -4.96 117.98 114.20 2pmz s PHE 40 Ca 0.00 2.01 -0.05 0.00 -0.96 0.00 0.00 56.93 57.93 2pmz s PHE 40 Cb 0.00 0.53 0.04 0.00 -0.34 0.00 0.00 43.02 43.25 2pmz s PHE 40 CO 0.00 -0.47 0.24 0.00 -1.46 0.00 0.00 175.22 173.53 2pmz s ALA 41 N 1.29 -0.55 0.21 11.12 0.00 -1.26 -0.91 121.76 131.67 2pmz s ALA 41 Ca -0.07 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 2pmz s ALA 41 Cb -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.52 2pmz s ALA 41 CO -0.14 -0.19 0.87 -1.54 0.00 0.00 0.00 175.76 174.76 2pmz s SER 42 N 1.14 -0.19 0.37 0.00 1.04 -0.99 -4.83 113.70 110.25 2pmz s SER 42 Ca -0.08 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.69 2pmz s SER 42 Cb -0.10 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2pmz s SER 42 CO -0.08 -1.10 0.73 0.00 0.98 0.00 0.00 173.24 173.77 2pmz n TYR 43 N -0.48 -2.23 -0.92 5.02 0.18 -1.26 -1.15 117.16 116.33 2pmz n TYR 43 Ca -0.05 -1.83 0.00 0.00 1.88 0.00 0.00 57.90 57.90 2pmz n TYR 43 Cb 0.60 0.85 0.00 0.00 -0.38 0.00 0.00 39.34 40.41 2pmz n TYR 43 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 2pmz n TYR 44 N -0.52 0.00 -3.73 -3.48 -0.00 -1.12 -5.01 117.16 103.30 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 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.82 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 -0.98 0.68 0.07 -3.48 1.03 -1.26 -2.52 119.66 113.19 2pmz s GLN 45 Ca 0.00 -0.02 -0.17 0.00 0.04 0.00 0.00 55.36 55.20 2pmz s GLN 45 Cb 0.00 0.31 -0.05 0.00 0.03 0.00 0.00 33.01 33.29 2pmz s GLN 45 CO 0.00 -0.18 1.28 -1.35 -2.54 0.00 0.00 175.29 172.51 2pmz h PRO 46 N 4.04 -0.17 -1.15 9.60 0.11 -1.88 -3.46 132.00 139.11 2pmz h PRO 46 Ca -0.29 0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.02 2pmz h PRO 46 Cb 1.17 0.04 -0.32 0.00 0.11 0.00 0.00 31.00 32.00 2pmz h PRO 46 CO 0.38 -0.11 0.74 -3.38 -0.21 0.00 0.00 178.00 175.42 2pmz s HIS 47 N -4.36 -0.14 0.00 0.65 -3.43 -1.26 -5.07 115.29 101.68 2pmz s HIS 47 Ca -0.07 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 2pmz s HIS 47 Cb 0.05 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 2pmz s HIS 47 CO 0.32 -0.07 0.00 -2.30 -2.00 0.00 0.00 174.74 170.69 2pmz n PRO 48 N 2.56 0.00 -0.58 -0.38 -0.02 -1.26 -1.87 135.00 133.44 2pmz n PRO 48 Ca -0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.19 2pmz n PRO 48 Cb 0.57 0.00 -0.04 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 -2.56 3.61 0.00 2.45 7.99 -1.26 -4.33 117.00 122.90 2pmz n LEU 49 Ca 0.00 -2.32 0.00 0.00 -0.01 0.00 0.00 56.01 53.68 2pmz n LEU 49 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 2pmz n LEU 49 CO 0.00 0.44 0.00 -1.54 -1.51 0.00 0.00 177.39 174.78 2pmz n SER 50 N 3.73 0.00 -3.45 -1.43 3.41 -0.78 -5.06 113.62 110.04 2pmz n SER 50 Ca 0.32 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.56 2pmz n SER 50 Cb 0.24 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 5.66 -3.73 4.04 -0.08 -1.26 -4.67 116.55 116.50 2pmz n ASP 51 Ca 0.00 -2.61 -0.12 0.00 -1.51 0.00 0.00 54.79 50.55 2pmz n ASP 51 Cb 0.00 -1.42 -0.12 0.00 2.34 0.00 0.00 41.12 41.92 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 3.14 0.28 0.47 -0.67 1.02 -1.26 -0.48 119.74 122.24 2pmz s LYS 52 Ca 0.55 0.54 0.05 0.00 0.02 0.00 0.00 55.97 57.13 2pmz s LYS 52 Cb 0.15 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.41 2pmz s LYS 52 CO -0.04 -0.13 0.15 0.96 -0.92 0.00 0.00 175.35 175.38 2pmz s ILE 53 N 0.98 1.76 -0.02 2.17 -4.36 0.34 -3.79 121.20 118.29 2pmz s ILE 53 Ca -0.07 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2pmz s ILE 53 Cb -0.08 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.11 2pmz s ILE 53 CO -0.07 0.00 0.04 -0.63 0.24 0.00 0.00 174.94 174.53 2pmz s ILE 54 N -2.74 -0.05 -0.12 8.37 1.01 -1.05 -0.95 121.20 125.67 2pmz s ILE 54 Ca 0.28 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2pmz s ILE 54 Cb 0.03 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.39 2pmz s ILE 54 CO 0.16 0.07 -0.17 0.68 0.00 0.00 0.00 174.94 175.68 2pmz s VAL 55 N 0.88 2.68 -0.18 2.92 -7.23 0.43 -2.80 120.40 117.11 2pmz s VAL 55 Ca -0.07 -0.79 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 2pmz s VAL 55 Cb -0.10 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2pmz s VAL 55 CO -0.03 0.54 0.00 -0.54 -0.31 0.00 0.00 175.10 174.76 2pmz s LYS 56 N 0.39 3.75 -0.07 4.82 1.02 -0.30 -0.29 119.74 129.06 2pmz s LYS 56 Ca -0.13 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2pmz s LYS 56 Cb -0.17 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2pmz s LYS 56 CO 0.06 0.18 -0.09 0.96 -0.92 0.00 0.00 175.35 175.54 2pmz s ILE 57 N 0.56 0.95 -0.48 2.17 -4.36 -0.99 -2.35 121.20 116.70 2pmz s ILE 57 Ca -0.00 -0.35 0.03 0.00 -0.26 0.00 0.00 60.65 60.07 2pmz s ILE 57 Cb -0.14 -0.91 0.13 0.00 1.25 0.00 0.00 42.46 42.80 2pmz s ILE 57 CO 0.02 0.32 0.26 -0.22 0.24 0.00 0.00 174.94 175.56 2pmz s LEU 58 N 0.93 3.42 0.63 0.37 2.96 -0.08 -1.42 118.68 125.48 2pmz s LEU 58 Ca -0.10 -2.84 -0.10 0.00 -0.22 0.00 0.00 54.13 50.87 2pmz s LEU 58 Cb -0.15 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 2pmz s LEU 58 CO 0.01 -0.24 1.02 0.28 -1.32 0.00 0.00 176.35 176.09 2pmz s THR 59 N 0.01 4.40 -0.74 3.68 -1.32 -1.12 -1.84 115.64 118.70 2pmz s THR 59 Ca 0.18 0.70 0.01 0.00 -1.21 0.00 0.00 61.69 61.36 2pmz s THR 59 Cb -0.24 -3.76 0.36 0.00 -1.51 0.00 0.00 72.50 67.35 2pmz s THR 59 CO -0.01 -0.98 1.64 -0.90 -2.21 0.00 0.00 174.62 172.17 2pmz n ASP 60 N -2.77 6.45 0.00 8.08 3.85 -1.26 -4.78 116.55 126.12 2pmz n ASP 60 Ca 0.06 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.37 2pmz n ASP 60 Cb 0.55 -0.87 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 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 -0.41 1.15 0.06 6.12 0.00 -1.26 -4.64 105.19 106.21 2pmz n GLY 61 Ca 0.46 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.50 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 2.98 -0.00 -4.00 1.61 7.64 -1.26 -4.13 113.62 116.45 2pmz n SER 62 Ca 0.00 0.32 -0.08 0.00 1.01 0.00 0.00 58.87 60.12 2pmz n SER 62 Cb 0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.79 0.19 0.33 0.44 -1.09 -1.26 -5.11 121.20 109.91 2pmz s ILE 63 Ca -0.02 -1.54 -0.13 0.00 -2.23 0.00 0.00 60.65 56.73 2pmz s ILE 63 Cb 0.06 -1.39 -0.08 0.00 -1.58 0.00 0.00 42.46 39.47 2pmz s ILE 63 CO 0.15 -0.85 0.72 -0.89 -1.23 0.00 0.00 174.94 172.84 2pmz s THR 64 N -3.75 4.75 0.18 2.92 2.01 -1.26 -4.44 115.64 116.05 2pmz s THR 64 Ca 0.05 0.78 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 2pmz s THR 64 Cb 0.06 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 69.00 2pmz s THR 64 CO -0.10 -0.27 1.76 1.55 -0.69 0.00 0.00 174.62 176.88 2pmz h PRO 65 N 2.00 0.38 -1.00 4.92 0.13 -1.89 1.03 132.00 137.57 2pmz h PRO 65 Ca -0.48 -0.02 0.39 0.00 -0.87 0.00 0.00 66.00 65.02 2pmz h PRO 65 Cb 1.18 -0.09 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 2pmz h PRO 65 CO 0.65 0.25 0.44 0.87 -0.23 0.00 0.00 178.00 179.99 2pmz h LYS 66 N 0.39 0.02 0.05 0.86 1.57 -1.92 0.08 116.57 117.63 2pmz h LYS 66 Ca 0.22 -0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.62 2pmz h LYS 66 Cb 0.19 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2pmz h LYS 66 CO -0.20 0.01 -2.21 -0.25 -0.57 0.00 0.00 179.45 176.24 2pmz n ASP 67 N -5.29 2.03 0.24 0.86 8.00 -0.63 -4.05 116.55 117.72 2pmz n ASP 67 Ca 0.35 0.08 0.07 0.00 0.71 0.00 0.00 54.79 55.99 2pmz n ASP 67 Cb 1.17 -0.67 0.36 0.00 -0.02 0.00 0.00 41.12 41.97 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 -0.08 1.43 0.00 2.24 0.00 0.28 0.53 119.26 123.66 2pmz h ALA 68 Ca -0.51 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 2pmz h ALA 68 Cb 1.89 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2pmz h ALA 68 CO -0.05 -0.43 -1.01 1.25 0.00 0.00 0.00 179.25 179.01 2pmz h LEU 69 N 0.00 0.00 -1.76 0.00 6.46 -1.23 -3.28 115.31 115.51 2pmz h LEU 69 Ca 0.00 -0.48 0.17 0.00 -0.12 0.00 0.00 57.88 57.46 2pmz h LEU 69 Cb 1.02 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 2pmz h LEU 69 CO 0.00 1.33 0.50 -0.07 -0.62 0.00 0.00 178.44 179.58 2pmz h LEU 70 N -1.00 0.22 0.01 2.25 4.07 -0.15 1.26 115.31 121.97 2pmz h LEU 70 Ca -0.26 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 2pmz h LEU 70 Cb 1.14 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2pmz h LEU 70 CO -0.16 0.11 -0.00 0.50 -1.08 0.00 0.00 178.44 177.80 2pmz h LYS 71 N 0.23 -0.01 -0.72 1.13 1.63 -1.28 0.41 116.57 117.96 2pmz h LYS 71 Ca 0.36 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.16 2pmz h LYS 71 Cb 1.06 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.66 2pmz h LYS 71 CO -0.08 0.05 0.47 0.00 -3.45 0.00 0.00 179.45 176.44 2pmz h ALA 72 N 0.93 0.91 0.06 5.00 0.00 0.50 0.91 119.26 127.57 2pmz h ALA 72 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2pmz h ALA 72 Cb 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2pmz h ALA 72 CO 0.00 0.34 -0.31 0.82 0.00 0.00 0.00 179.25 180.10 2pmz h ILE 73 N 0.98 0.33 0.68 0.00 1.08 0.19 0.17 117.51 120.93 2pmz h ILE 73 Ca 0.26 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.71 2pmz h ILE 73 Cb -0.10 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2pmz h ILE 73 CO -0.06 0.00 -0.50 -0.08 -0.69 0.00 0.00 178.15 176.82 2pmz h GLU 74 N -0.50 -1.09 -0.75 2.37 4.22 0.43 -2.13 114.58 117.13 2pmz h GLU 74 Ca 0.05 0.07 0.11 0.00 0.08 0.00 0.00 59.36 59.67 2pmz h GLU 74 Cb 0.56 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.94 2pmz h GLU 74 CO -0.22 -0.73 -0.31 0.09 -2.18 0.00 0.00 179.01 175.66 2pmz n ASN 75 N -5.60 -0.53 -0.36 1.04 4.13 0.31 0.15 115.26 114.39 2pmz n ASN 75 Ca -0.14 1.32 0.02 0.00 1.68 0.00 0.00 54.58 57.45 2pmz n ASN 75 Cb 0.49 -0.28 0.16 0.00 -1.54 0.00 0.00 39.78 38.60 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 1.11 0.00 2.41 1.08 -0.28 -2.10 117.51 119.73 2pmz h ILE 76 Ca 0.24 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2pmz h ILE 76 Cb 0.43 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2pmz h ILE 76 CO -0.74 0.22 0.00 -1.14 -0.69 0.00 0.00 178.15 175.79 2pmz n ARG 77 N -4.49 0.00 -0.11 2.37 0.63 0.38 -0.28 116.66 115.16 2pmz n ARG 77 Ca 0.14 0.72 -0.06 0.00 -0.92 0.00 0.00 57.85 57.74 2pmz n ARG 77 Cb 0.15 -1.44 0.01 0.00 0.45 0.00 0.00 32.46 31.63 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 0.03 -0.88 5.14 0.00 -1.47 -1.05 103.07 104.84 2pmz h GLY 78 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.68 2pmz h GLY 78 CO 0.00 -0.20 -0.52 -0.13 0.00 0.00 0.00 176.54 175.69 2pmz n MET 79 N -5.38 -0.39 -0.31 4.80 0.00 -0.80 -0.93 117.12 114.11 2pmz n MET 79 Ca 0.02 1.44 0.00 0.00 -0.00 0.00 0.00 57.70 59.16 2pmz n MET 79 Cb 0.29 -2.12 0.19 0.00 0.00 0.00 0.00 33.22 31.58 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 1.18 0.38 1.12 2.02 0.19 -3.14 112.91 114.66 2pmz h THR 80 Ca 0.14 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2pmz h THR 80 Cb 0.36 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2pmz h THR 80 CO -0.83 0.21 -0.18 0.28 0.37 0.00 0.00 175.52 175.37 2pmz h SER 81 N 1.17 -0.43 -0.76 4.18 0.02 0.22 -2.79 113.55 115.17 2pmz h SER 81 Ca 0.35 -0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.40 2pmz h SER 81 Cb -0.04 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.51 2pmz h SER 81 CO -0.10 -0.22 0.29 0.45 -1.14 0.00 0.00 176.83 176.11 2pmz h HIS 82 N -0.61 0.49 -0.57 3.45 3.86 -1.35 0.42 115.15 120.84 2pmz h HIS 82 Ca -0.05 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2pmz h HIS 82 Cb 0.45 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.71 2pmz h HIS 82 CO -0.02 0.04 -0.24 -0.92 0.86 0.00 0.00 177.93 177.64 2pmz h TYR 83 N 0.42 -0.61 -0.35 2.45 3.20 -1.48 1.16 116.97 121.76 2pmz h TYR 83 Ca 0.42 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.38 2pmz h TYR 83 Cb 0.66 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2pmz h TYR 83 CO -0.18 -0.32 0.16 0.82 -1.64 0.00 0.00 178.16 177.00 2pmz h ILE 84 N -0.10 0.96 0.03 1.81 2.04 0.00 0.18 117.51 122.44 2pmz h ILE 84 Ca 0.26 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 2pmz h ILE 84 Cb 0.50 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2pmz h ILE 84 CO -0.63 0.06 -0.02 0.44 0.00 0.00 0.00 178.15 178.00 2pmz h ASP 85 N 0.34 -0.04 0.11 1.72 3.32 0.10 -2.03 116.42 119.94 2pmz h ASP 85 Ca 0.15 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2pmz h ASP 85 Cb 0.08 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2pmz h ASP 85 CO -0.12 0.09 0.00 -0.62 -1.72 0.00 0.00 179.24 176.87 2pmz n GLU 86 N -5.05 0.53 -0.10 3.56 1.02 0.38 -1.87 120.64 119.10 2pmz n GLU 86 Ca -0.08 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 2pmz n GLU 86 Cb 0.10 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.09 1.50 0.30 -3.67 3.06 0.62 -3.52 119.36 116.56 2pmz n ILE 87 Ca 0.13 -0.00 0.19 0.00 -2.50 0.00 0.00 62.75 60.57 2pmz n ILE 87 Cb 0.10 -2.13 0.87 0.00 0.54 0.00 0.00 39.64 39.01 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 -0.24 9.51 1.57 -1.40 -2.27 116.57 122.74 2pmz h LYS 88 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2pmz h LYS 88 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2pmz h LYS 88 CO -0.17 0.00 0.14 0.78 -0.57 0.00 0.00 179.45 179.63 2pmz h GLY 89 N 1.32 0.36 -5.90 3.86 0.00 -1.49 -3.24 103.07 97.98 2pmz h GLY 89 Ca 0.00 -0.15 -0.68 0.00 0.00 0.00 0.00 47.33 46.49 2pmz h GLY 89 CO 0.00 0.15 0.04 1.04 0.00 0.00 0.00 176.54 177.77 2pmz n LEU 90 N -4.87 5.48 0.00 3.11 4.32 -0.86 -4.74 117.00 119.44 2pmz n LEU 90 Ca -0.03 -5.51 0.00 0.00 -0.02 0.00 0.00 56.01 50.45 2pmz n LEU 90 Cb 0.06 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 2pmz n LEU 90 CO 0.34 2.15 0.00 0.35 -1.22 0.00 0.00 177.39 179.01 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