#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmz s SER 2 N 0.00 -0.37 0.46 1.61 0.01 -1.26 -5.18 113.70 108.97 2dmz s SER 2 Ca 0.00 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.17 2dmz s SER 2 Cb 0.00 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2dmz s SER 2 CO 0.00 -0.87 0.04 -0.55 0.41 0.00 0.00 173.24 172.27 2dmz s SER 3 N -2.65 4.07 -0.39 2.44 0.15 -1.26 -5.13 113.70 110.94 2dmz s SER 3 Ca 0.01 -1.48 0.07 0.00 0.70 0.00 0.00 55.95 55.26 2dmz s SER 3 Cb 0.01 0.06 0.18 0.00 -1.71 0.00 0.00 66.02 64.56 2dmz s SER 3 CO -0.11 -0.68 0.60 -0.83 1.20 0.00 0.00 173.24 173.43 2dmz s GLY 4 N -3.83 -1.14 -0.02 9.45 0.00 -1.26 -5.15 107.32 105.37 2dmz s GLY 4 Ca 0.22 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.13 2dmz s GLY 4 CO 0.11 3.58 0.07 -1.35 0.00 0.00 0.00 173.10 175.51 2dmz s SER 5 N 1.95 -0.03 0.05 1.64 1.04 -1.26 -5.16 113.70 111.93 2dmz s SER 5 Ca 0.15 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 2dmz s SER 5 Cb -0.06 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2dmz s SER 5 CO -0.10 -0.09 0.11 -0.44 0.98 0.00 0.00 173.24 173.70 2dmz s SER 6 N -0.27 0.19 0.00 7.02 0.01 -1.26 -5.05 113.70 114.34 2dmz s SER 6 Ca -0.03 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2dmz s SER 6 Cb -0.02 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dmz s SER 6 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2dmz n GLY 7 N 0.45 -0.06 0.83 3.44 0.00 -1.26 -5.05 105.19 103.54 2dmz n GLY 7 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2dmz n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmz n GLY 8 N 0.00 -3.45 2.28 -0.02 0.00 -1.17 -4.75 105.19 98.08 2dmz n GLY 8 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2dmz n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmz n SER 9 N 0.14 6.12 -3.87 1.61 2.88 -1.26 -4.90 113.62 114.34 2dmz n SER 9 Ca 0.00 -3.77 -0.28 0.00 -1.33 0.00 0.00 58.87 53.49 2dmz n SER 9 Cb 0.00 -0.65 0.03 0.00 -0.75 0.00 0.00 64.21 62.84 2dmz n SER 9 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dmz n ASP 10 N -0.73 -3.72 -0.10 -3.46 8.00 -1.26 -4.86 116.55 110.42 2dmz n ASP 10 Ca 0.51 -0.80 -0.15 0.00 0.71 0.00 0.00 54.79 55.05 2dmz n ASP 10 Cb 0.74 -3.89 -0.06 0.00 -0.02 0.00 0.00 41.12 37.90 2dmz n ASP 10 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dmz n SER 11 N -2.89 1.91 -3.94 -2.24 3.41 -1.26 -4.70 113.62 103.90 2dmz n SER 11 Ca -0.06 0.40 -0.40 0.00 -0.26 0.00 0.00 58.87 58.56 2dmz n SER 11 Cb 0.57 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 2dmz n SER 11 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmz n SER 12 N -4.43 5.66 0.14 4.04 7.64 -1.26 -4.79 113.62 120.61 2dmz n SER 12 Ca -0.26 -3.36 -0.01 0.00 1.01 0.00 0.00 58.87 56.26 2dmz n SER 12 Cb 0.59 -1.16 0.15 0.00 -1.01 0.00 0.00 64.21 62.79 2dmz n SER 12 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dmz h LEU 13 N 5.39 0.00 -9.05 -3.43 -0.00 -1.97 -3.44 115.31 102.81 2dmz h LEU 13 Ca 0.19 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.40 2dmz h LEU 13 Cb 0.67 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.14 2dmz h LEU 13 CO 1.17 0.62 -0.82 -0.36 -0.00 0.00 0.00 178.44 179.05 2dmz s PHE 14 N -3.42 2.42 -0.01 1.13 0.40 -1.26 -0.73 117.98 116.50 2dmz s PHE 14 Ca -0.00 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 2dmz s PHE 14 Cb 0.12 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 2dmz s PHE 14 CO 0.75 0.41 -0.21 -1.83 0.70 0.00 0.00 175.22 175.05 2dmz s GLU 15 N -2.32 2.20 0.01 0.44 -1.05 0.21 -4.83 118.70 113.37 2dmz s GLU 15 Ca 0.18 -0.88 0.03 0.00 -0.15 0.00 0.00 54.97 54.15 2dmz s GLU 15 Cb -0.10 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.38 2dmz s GLU 15 CO 0.09 0.57 -0.03 0.99 0.95 0.00 0.00 175.26 177.83 2dmz s THR 16 N -0.73 3.90 -0.01 1.83 2.01 -1.26 -1.90 115.64 119.47 2dmz s THR 16 Ca 0.12 -0.71 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 2dmz s THR 16 Cb -0.10 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 69.73 2dmz s THR 16 CO 0.01 0.37 0.51 -0.72 -0.69 0.00 0.00 174.62 174.10 2dmz s TYR 17 N -1.06 -0.43 -0.15 4.92 -0.85 -0.90 -5.02 117.35 113.85 2dmz s TYR 17 Ca 0.19 0.67 -0.08 0.00 -0.52 0.00 0.00 57.07 57.33 2dmz s TYR 17 Cb -0.11 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 2dmz s TYR 17 CO 0.09 -0.54 0.11 0.54 -1.52 0.00 0.00 175.55 174.24 2dmz s ASN 18 N -1.44 6.13 -0.23 -0.18 2.20 -1.26 -2.51 114.94 117.65 2dmz s ASN 18 Ca -0.10 0.30 -0.03 0.00 -0.94 0.00 0.00 52.86 52.09 2dmz s ASN 18 Cb -0.02 -2.02 0.01 0.00 -2.00 0.00 0.00 41.25 37.22 2dmz s ASN 18 CO 0.05 0.29 -0.06 -0.69 -2.94 0.00 0.00 177.10 173.75 2dmz s VAL 19 N -0.32 3.07 -0.90 3.54 1.01 0.93 -4.87 120.40 122.86 2dmz s VAL 19 Ca 0.11 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2dmz s VAL 19 Cb -0.12 -2.46 0.16 0.00 0.00 0.00 0.00 36.38 33.96 2dmz s VAL 19 CO 0.01 0.33 1.02 -0.70 0.00 0.00 0.00 175.10 175.76 2dmz s GLU 20 N 1.40 3.60 0.40 2.72 2.12 -1.24 -0.34 118.70 127.36 2dmz s GLU 20 Ca 0.03 -1.97 -0.23 0.00 0.36 0.00 0.00 54.97 53.17 2dmz s GLU 20 Cb -0.15 -4.76 -0.10 0.00 0.26 0.00 0.00 34.13 29.38 2dmz s GLU 20 CO -0.05 -1.63 0.98 -0.51 -0.54 0.00 0.00 175.26 173.52 2dmz s LEU 21 N 1.93 4.07 -0.13 2.70 1.43 -0.23 -4.79 118.68 123.66 2dmz s LEU 21 Ca 0.28 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 2dmz s LEU 21 Cb -0.07 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 2dmz s LEU 21 CO -0.09 -0.38 -0.08 0.54 0.23 0.00 0.00 176.35 176.57 2dmz s VAL 22 N -1.89 3.49 -0.36 -1.59 0.11 -1.26 -2.22 120.40 116.69 2dmz s VAL 22 Ca 0.59 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 2dmz s VAL 22 Cb -0.15 -2.48 0.06 0.00 -1.53 0.00 0.00 36.38 32.27 2dmz s VAL 22 CO 0.20 0.53 0.12 -0.13 -3.33 0.00 0.00 175.10 172.49 2dmz s ARG 23 N 0.12 2.45 0.89 1.54 0.52 -1.23 -4.55 118.95 118.70 2dmz s ARG 23 Ca -0.04 -1.37 -0.12 0.00 -0.52 0.00 0.00 55.73 53.68 2dmz s ARG 23 Cb -0.14 -3.47 0.19 0.00 0.52 0.00 0.00 34.95 32.05 2dmz s ARG 23 CO 0.04 -0.78 0.43 1.63 0.02 0.00 0.00 175.30 176.64 2dmz n LYS 24 N 4.74 -1.86 -2.19 3.54 4.76 -1.26 -4.69 118.16 121.19 2dmz n LYS 24 Ca -0.10 -0.72 -0.31 0.00 -2.87 0.00 0.00 58.31 54.30 2dmz n LYS 24 Cb 0.43 -1.26 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 2dmz n LYS 24 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2dmz s ASP 25 N -2.14 5.47 0.00 4.39 2.15 -1.26 -3.27 116.67 122.01 2dmz s ASP 25 Ca 0.33 -1.65 0.00 0.00 0.43 0.00 0.00 52.55 51.66 2dmz s ASP 25 Cb -0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2dmz s ASP 25 CO 0.28 -2.59 0.00 0.61 -0.17 0.00 0.00 175.17 173.30 2dmz n GLY 26 N 5.95 3.59 3.64 2.66 0.00 -1.26 -5.10 105.19 114.67 2dmz n GLY 26 Ca 0.44 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 2dmz n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dmz n GLN 27 N 0.00 1.71 -4.00 1.61 7.27 -1.20 -4.99 117.38 117.78 2dmz n GLN 27 Ca 0.00 0.60 -0.21 0.00 0.07 0.00 0.00 57.00 57.46 2dmz n GLN 27 Cb 0.00 -2.07 -0.03 0.00 2.41 0.00 0.00 30.24 30.55 2dmz n GLN 27 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2dmz s SER 28 N -0.44 6.12 0.00 1.69 0.01 -1.26 -4.39 113.70 115.44 2dmz s SER 28 Ca 0.57 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.82 2dmz s SER 28 Cb -0.64 -1.75 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 2dmz s SER 28 CO 0.61 -0.06 0.90 -0.11 0.41 0.00 0.00 173.24 174.99 2dmz n LEU 29 N -1.32 -0.02 -0.65 2.44 7.94 -1.26 -4.11 117.00 120.01 2dmz n LEU 29 Ca -0.09 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 2dmz n LEU 29 Cb 0.57 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2dmz n LEU 29 CO 0.45 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.87 2dmz n GLY 30 N -1.01 0.71 2.89 -3.96 0.00 -1.26 -2.80 105.19 99.76 2dmz n GLY 30 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2dmz n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmz s ILE 31 N -2.29 -0.13 -0.13 -0.61 1.01 -1.26 -3.08 121.20 114.71 2dmz s ILE 31 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 2dmz s ILE 31 Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2dmz s ILE 31 CO 0.00 0.10 0.14 -0.13 0.00 0.00 0.00 174.94 175.05 2dmz s ARG 32 N 1.62 3.54 0.33 2.79 1.81 -0.38 -5.01 118.95 123.64 2dmz s ARG 32 Ca -0.04 -0.14 0.09 0.00 -1.72 0.00 0.00 55.73 53.92 2dmz s ARG 32 Cb -0.12 -3.22 -0.06 0.00 -0.45 0.00 0.00 34.95 31.11 2dmz s ARG 32 CO -0.06 0.72 -0.04 0.96 -0.68 0.00 0.00 175.30 176.20 2dmz s ILE 33 N -0.84 2.58 0.10 1.52 -4.36 -1.26 -1.06 121.20 117.86 2dmz s ILE 33 Ca 0.14 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2dmz s ILE 33 Cb -0.12 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 2dmz s ILE 33 CO 0.03 -0.23 -0.06 0.54 0.24 0.00 0.00 174.94 175.46 2dmz s VAL 34 N -2.53 0.66 -0.65 8.37 0.11 -0.21 -4.56 120.40 121.60 2dmz s VAL 34 Ca 0.33 -1.93 0.02 0.00 -2.93 0.00 0.00 61.98 57.48 2dmz s VAL 34 Cb -0.00 -1.68 0.16 0.00 -1.53 0.00 0.00 36.38 33.33 2dmz s VAL 34 CO 0.18 -0.88 0.44 -0.83 -3.33 0.00 0.00 175.10 170.68 2dmz s GLY 35 N -3.04 2.70 0.40 6.54 0.00 -1.26 -3.23 107.32 109.43 2dmz s GLY 35 Ca 0.12 -3.53 -0.23 0.00 0.00 0.00 0.00 44.72 41.07 2dmz s GLY 35 CO -0.05 1.07 1.01 -0.19 0.00 0.00 0.00 173.10 174.95 2dmz s TYR 36 N -0.76 3.31 0.00 1.90 1.51 -0.43 -4.95 117.35 117.93 2dmz s TYR 36 Ca 0.21 1.65 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 2dmz s TYR 36 Cb -0.16 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 2dmz s TYR 36 CO -0.07 -0.43 0.00 0.28 -1.11 0.00 0.00 175.55 174.22 2dmz n VAL 37 N -0.17 0.00 0.00 0.71 0.31 -1.26 -2.98 118.33 114.94 2dmz n VAL 37 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2dmz n VAL 37 Cb 0.51 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 2dmz n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dmz n GLY 38 N 2.68 0.65 2.88 2.92 0.00 -1.25 -4.77 105.19 108.30 2dmz n GLY 38 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2dmz n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dmz n THR 39 N 1.39 0.00 -2.27 2.61 5.66 -1.26 -4.90 114.28 115.52 2dmz n THR 39 Ca 0.00 -1.78 -0.20 0.00 -3.05 0.00 0.00 64.05 59.02 2dmz n THR 39 Cb 0.00 1.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.76 2dmz n THR 39 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dmz n SER 40 N -1.76 -5.77 -4.01 1.09 7.64 -1.26 -2.15 113.62 107.40 2dmz n SER 40 Ca 0.03 0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.64 2dmz n SER 40 Cb 0.52 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.86 2dmz n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmz n HIS 41 N -3.77 -1.70 -0.05 1.43 1.44 -1.26 -4.83 115.22 106.48 2dmz n HIS 41 Ca -0.24 0.68 -0.21 0.00 -2.01 0.00 0.00 57.72 55.95 2dmz n HIS 41 Cb 0.68 -2.73 -0.13 0.00 0.12 0.00 0.00 29.99 27.94 2dmz n HIS 41 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2dmz n THR 42 N -4.17 1.66 -4.26 0.61 -2.24 -0.91 -4.98 114.28 99.98 2dmz n THR 42 Ca 0.06 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 2dmz n THR 42 Cb 0.49 -1.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 2dmz n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmz n GLY 43 N 2.02 -0.37 0.34 3.38 0.00 -1.26 -4.81 105.19 104.48 2dmz n GLY 43 Ca -0.38 0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2dmz n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dmz n GLU 44 N -4.34 2.59 -3.15 1.61 -0.00 -1.26 -4.93 120.64 111.16 2dmz n GLU 44 Ca -0.01 -2.11 0.05 0.00 -0.00 0.00 0.00 57.16 55.10 2dmz n GLU 44 Cb 0.53 -1.32 -0.01 0.00 -0.00 0.00 0.00 31.44 30.64 2dmz n GLU 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dmz s ALA 45 N -1.72 -3.55 -0.25 -1.84 0.00 -1.26 -5.15 121.76 108.00 2dmz s ALA 45 Ca 0.20 1.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 2dmz s ALA 45 Cb 0.15 -2.58 0.14 0.00 0.00 0.00 0.00 23.12 20.83 2dmz s ALA 45 CO 0.06 -1.63 0.45 -1.54 0.00 0.00 0.00 175.76 173.10 2dmz s SER 46 N 2.95 -0.30 0.00 0.00 1.04 -1.26 -3.77 113.70 112.36 2dmz s SER 46 Ca 0.07 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2dmz s SER 46 Cb -0.08 1.46 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2dmz s SER 46 CO -0.15 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2dmz n GLY 47 N 5.39 -0.52 3.60 7.32 0.00 -1.16 -4.98 105.19 114.84 2dmz n GLY 47 Ca -0.04 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2dmz n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmz s ILE 48 N -3.70 5.02 0.04 -0.61 -1.09 -1.26 -1.31 121.20 118.29 2dmz s ILE 48 Ca 0.00 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 2dmz s ILE 48 Cb 0.00 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2dmz s ILE 48 CO 0.00 0.35 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.61 2dmz s TYR 49 N 1.15 1.22 -0.46 3.97 1.51 -1.20 -2.25 117.35 121.30 2dmz s TYR 49 Ca 0.06 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.49 2dmz s TYR 49 Cb -0.14 -0.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2dmz s TYR 49 CO 0.05 0.03 1.98 0.08 -1.11 0.00 0.00 175.55 176.59 2dmz s VAL 50 N -0.87 3.29 0.20 0.71 1.01 -0.89 -1.04 120.40 122.82 2dmz s VAL 50 Ca 0.01 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 2dmz s VAL 50 Cb -0.08 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2dmz s VAL 50 CO 0.01 -0.48 1.61 0.50 0.00 0.00 0.00 175.10 176.75 2dmz h LYS 51 N 15.22 0.85 -2.62 2.72 1.63 -1.34 -3.29 116.57 129.74 2dmz h LYS 51 Ca -0.29 -0.34 0.12 0.00 -0.85 0.00 0.00 60.65 59.29 2dmz h LYS 51 Cb 1.19 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.74 2dmz h LYS 51 CO 1.12 0.97 0.46 -1.12 -3.45 0.00 0.00 179.45 177.44 2dmz s SER 52 N -6.73 -0.06 -0.15 4.20 0.01 -1.24 -4.88 113.70 104.86 2dmz s SER 52 Ca -0.10 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 2dmz s SER 52 Cb 0.13 0.59 0.07 0.00 0.21 0.00 0.00 66.02 67.02 2dmz s SER 52 CO 0.84 -1.15 0.17 -0.69 0.41 0.00 0.00 173.24 172.82 2dmz s VAL 53 N -2.60 -0.25 0.23 3.43 1.01 -1.26 -1.25 120.40 119.70 2dmz s VAL 53 Ca 0.17 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 2dmz s VAL 53 Cb -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 36.38 35.73 2dmz s VAL 53 CO 0.06 -0.07 1.59 -0.38 0.00 0.00 0.00 175.10 176.30 2dmz n ILE 54 N 5.31 0.51 -1.47 2.22 -0.00 -1.18 -4.91 119.36 119.84 2dmz n ILE 54 Ca -0.05 -0.13 -0.32 0.00 -0.00 0.00 0.00 62.75 62.25 2dmz n ILE 54 Cb 0.50 -1.79 0.07 0.00 -0.00 0.00 0.00 39.64 38.41 2dmz n ILE 54 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2dmz s PRO 55 N 0.28 2.49 -1.61 0.38 0.04 -1.26 -3.58 135.00 131.73 2dmz s PRO 55 Ca 0.71 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 2dmz s PRO 55 Cb -0.56 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.06 2dmz s PRO 55 CO 0.42 -1.48 0.24 0.41 0.04 0.00 0.00 177.00 176.63 2dmz n GLY 56 N -0.91 -0.51 2.42 0.56 0.00 -1.26 -4.98 105.19 100.52 2dmz n GLY 56 Ca 0.10 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2dmz n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmz n SER 57 N -2.19 2.85 0.08 1.61 3.41 -1.23 -4.97 113.62 113.18 2dmz n SER 57 Ca -0.18 -2.45 -0.13 0.00 -0.26 0.00 0.00 58.87 55.85 2dmz n SER 57 Cb 0.65 0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.72 2dmz n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmz h ALA 58 N 1.12 -0.22 -0.42 7.33 0.00 -1.67 -0.25 119.26 125.15 2dmz h ALA 58 Ca -0.27 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2dmz h ALA 58 Cb 0.84 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2dmz h ALA 58 CO 0.45 -0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.47 2dmz h ALA 59 N 0.14 0.52 0.51 0.00 0.00 -1.77 -0.31 119.26 118.33 2dmz h ALA 59 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dmz h ALA 59 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dmz h ALA 59 CO 0.04 -0.17 -0.24 -0.92 0.00 0.00 0.00 179.25 177.95 2dmz h TYR 60 N 0.40 -0.63 -0.16 0.00 3.20 -1.75 -2.47 116.97 115.55 2dmz h TYR 60 Ca 0.18 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2dmz h TYR 60 Cb 0.11 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 2dmz h TYR 60 CO -0.11 -0.33 -0.38 0.45 -1.64 0.00 0.00 178.16 176.15 2dmz h HIS 61 N -0.85 -1.07 -0.74 -3.82 3.86 -0.92 -1.46 115.15 110.15 2dmz h HIS 61 Ca -0.07 0.05 0.17 0.00 -1.16 0.00 0.00 60.37 59.36 2dmz h HIS 61 Cb 0.59 0.49 -0.12 0.00 1.06 0.00 0.00 27.41 29.43 2dmz h HIS 61 CO -0.01 -0.44 0.09 -0.97 0.86 0.00 0.00 177.93 177.46 2dmz h ASN 62 N -0.43 -0.18 -1.34 2.45 -1.24 -1.07 -3.46 115.58 110.31 2dmz h ASN 62 Ca 0.09 0.17 -0.10 0.00 0.71 0.00 0.00 56.30 57.18 2dmz h ASN 62 Cb 0.59 0.28 0.01 0.00 0.73 0.00 0.00 38.32 39.93 2dmz h ASN 62 CO -0.40 -0.12 -0.14 0.61 -1.29 0.00 0.00 177.43 176.09 2dmz n GLY 63 N -1.39 0.36 0.00 1.57 0.00 -0.55 -4.93 105.19 100.26 2dmz n GLY 63 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2dmz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmz n HIS 64 N -3.60 0.00 -3.75 1.61 8.25 -1.26 -4.97 115.22 111.51 2dmz n HIS 64 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 2dmz n HIS 64 Cb 0.53 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.53 2dmz n HIS 64 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dmz s ILE 65 N -1.83 3.45 0.28 1.59 1.01 -1.26 -5.07 121.20 119.38 2dmz s ILE 65 Ca 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 60.65 58.84 2dmz s ILE 65 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2dmz s ILE 65 CO 0.00 -0.59 0.24 0.00 0.00 0.00 0.00 174.94 174.59 2dmz s GLN 66 N 1.21 1.56 1.01 2.79 0.00 -1.26 -4.58 119.66 120.39 2dmz s GLN 66 Ca 0.05 -1.85 -0.21 0.00 -0.00 0.00 0.00 55.36 53.35 2dmz s GLN 66 Cb -0.23 0.31 -0.13 0.00 0.00 0.00 0.00 33.01 32.97 2dmz s GLN 66 CO -0.03 -0.56 -0.91 1.33 0.00 0.00 0.00 175.29 175.12 2dmz n VAL 67 N -0.49 0.00 -3.46 3.63 0.24 -1.26 -3.53 118.33 113.47 2dmz n VAL 67 Ca 0.05 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.90 2dmz n VAL 67 Cb 0.64 -0.12 0.08 0.00 -1.47 0.00 0.00 33.84 32.97 2dmz n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dmz n ASN 68 N 2.56 -3.74 -3.86 -1.34 3.02 -1.24 -4.94 115.26 105.72 2dmz n ASN 68 Ca -0.01 -0.57 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 2dmz n ASN 68 Cb 0.64 -4.96 -0.15 0.00 -0.61 0.00 0.00 39.78 34.70 2dmz n ASN 68 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dmz s ASP 69 N -3.92 0.27 -0.33 6.41 1.11 -1.23 -5.00 116.67 113.98 2dmz s ASP 69 Ca 0.23 -0.02 -0.11 0.00 0.18 0.00 0.00 52.55 52.82 2dmz s ASP 69 Cb -0.10 -0.09 -0.00 0.00 1.07 0.00 0.00 42.92 43.80 2dmz s ASP 69 CO 0.71 -0.03 0.20 -0.75 1.18 0.00 0.00 175.17 176.47 2dmz s LYS 70 N 0.40 3.29 -0.17 8.23 2.20 -1.26 -2.09 119.74 130.34 2dmz s LYS 70 Ca -0.04 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.58 2dmz s LYS 70 Cb -0.06 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 2dmz s LYS 70 CO -0.01 -0.48 0.74 0.42 -0.36 0.00 0.00 175.35 175.66 2dmz s ILE 71 N 1.64 4.95 -0.05 5.43 1.09 -0.95 -2.50 121.20 130.80 2dmz s ILE 71 Ca 0.05 1.44 0.16 0.00 -1.10 0.00 0.00 60.65 61.20 2dmz s ILE 71 Cb -0.18 -4.05 -0.24 0.00 -1.06 0.00 0.00 42.46 36.93 2dmz s ILE 71 CO 0.08 0.08 0.30 1.33 -0.10 0.00 0.00 174.94 176.62 2dmz n VAL 72 N 4.63 0.24 -3.54 2.92 0.24 -0.49 -4.61 118.33 117.72 2dmz n VAL 72 Ca 0.02 -0.44 -0.17 0.00 -2.04 0.00 0.00 64.34 61.71 2dmz n VAL 72 Cb 0.49 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 2dmz n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmz s ALA 73 N -2.98 -1.63 -0.10 2.33 0.00 -1.05 -2.39 121.76 115.94 2dmz s ALA 73 Ca -0.06 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2dmz s ALA 73 Cb 0.09 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2dmz s ALA 73 CO 0.68 -0.41 -0.04 0.08 0.00 0.00 0.00 175.76 176.07 2dmz s VAL 74 N -1.56 0.78 -1.52 0.00 1.01 0.22 -0.02 120.40 119.30 2dmz s VAL 74 Ca -0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2dmz s VAL 74 Cb -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2dmz s VAL 74 CO 0.06 0.30 0.75 0.47 0.00 0.00 0.00 175.10 176.69 2dmz n ASP 75 N 5.02 -6.23 -0.30 3.32 9.92 0.27 -1.73 116.55 126.82 2dmz n ASP 75 Ca -0.10 -0.35 -0.03 0.00 -0.53 0.00 0.00 54.79 53.78 2dmz n ASP 75 Cb 0.50 -5.00 -0.01 0.00 -0.64 0.00 0.00 41.12 35.97 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dmz n GLY 76 N -1.65 0.37 3.01 0.44 0.00 -1.24 -4.91 105.19 101.21 2dmz n GLY 76 Ca -0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2dmz n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmz s VAL 77 N -2.13 1.60 -0.68 1.61 1.01 -0.71 -5.07 120.40 116.03 2dmz s VAL 77 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 2dmz s VAL 77 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2dmz s VAL 77 CO 0.00 0.37 2.08 0.21 0.00 0.00 0.00 175.10 177.76 2dmz s ASN 78 N 1.46 4.85 -0.12 3.32 3.84 -1.26 -0.61 114.94 126.42 2dmz s ASN 78 Ca 0.03 0.20 0.10 0.00 0.21 0.00 0.00 52.86 53.40 2dmz s ASN 78 Cb -0.14 -2.53 0.50 0.00 -0.55 0.00 0.00 41.25 38.53 2dmz s ASN 78 CO -0.10 -2.80 1.30 2.30 -2.79 0.00 0.00 177.10 175.02 2dmz n ILE 79 N 7.78 1.55 -1.55 -5.21 -5.35 -1.01 -4.88 119.36 110.69 2dmz n ILE 79 Ca 0.33 -0.84 -0.20 0.00 -0.27 0.00 0.00 62.75 61.76 2dmz n ILE 79 Cb 0.50 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.10 2dmz n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmz n GLN 80 N 0.48 0.69 0.00 6.28 6.02 -1.20 -0.45 117.38 129.21 2dmz n GLN 80 Ca 0.17 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 2dmz n GLN 80 Cb 0.77 -3.55 0.00 0.00 1.02 0.00 0.00 30.24 28.48 2dmz n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dmz n GLY 81 N 6.54 2.41 3.57 1.08 0.00 -1.26 -5.08 105.19 112.45 2dmz n GLY 81 Ca 0.45 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.97 2dmz n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmz n PHE 82 N -0.38 1.22 -2.02 1.61 3.01 0.41 -4.91 117.46 116.39 2dmz n PHE 82 Ca 0.00 0.71 -0.34 0.00 1.01 0.00 0.00 57.45 58.83 2dmz n PHE 82 Cb 0.00 -2.26 0.02 0.00 -0.01 0.00 0.00 39.48 37.23 2dmz n PHE 82 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dmz s ALA 83 N -0.16 2.62 0.14 4.37 0.00 -1.26 -4.65 121.76 122.82 2dmz s ALA 83 Ca 0.75 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 2dmz s ALA 83 Cb -0.88 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 18.98 2dmz s ALA 83 CO 0.52 -0.96 1.12 -1.71 0.00 0.00 0.00 175.76 174.72 2dmz n ASN 84 N -1.91 -0.63 -0.07 0.00 2.85 -1.26 0.68 115.26 114.92 2dmz n ASN 84 Ca 0.10 1.27 -0.11 0.00 -0.11 0.00 0.00 54.58 55.74 2dmz n ASN 84 Cb 0.52 -0.22 -0.04 0.00 1.24 0.00 0.00 39.78 41.27 2dmz n ASN 84 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 2dmz h HIS 85 N 0.00 0.39 -0.89 1.20 2.07 -1.99 -1.75 115.15 114.17 2dmz h HIS 85 Ca 0.18 -0.05 0.23 0.00 -2.85 0.00 0.00 60.37 57.88 2dmz h HIS 85 Cb 0.36 -0.11 -0.05 0.00 2.57 0.00 0.00 27.41 30.18 2dmz h HIS 85 CO -0.69 0.48 0.61 -0.44 -3.07 0.00 0.00 177.93 174.82 2dmz h ASP 86 N 0.18 0.23 0.67 3.10 5.19 -0.09 0.15 116.42 125.85 2dmz h ASP 86 Ca 0.07 0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 56.24 2dmz h ASP 86 Cb 0.29 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2dmz h ASP 86 CO 0.00 0.08 -1.28 0.58 -3.12 0.00 0.00 179.24 175.51 2dmz h VAL 87 N 0.22 1.43 0.09 -1.35 2.07 -0.11 -3.29 116.25 115.32 2dmz h VAL 87 Ca 0.45 -3.07 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2dmz h VAL 87 Cb 1.40 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 34.01 2dmz h VAL 87 CO -0.11 0.87 -0.09 0.58 0.02 0.00 0.00 177.57 178.85 2dmz h VAL 88 N 0.05 0.80 -0.89 2.57 2.07 0.17 -2.54 116.25 118.47 2dmz h VAL 88 Ca -0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2dmz h VAL 88 Cb 1.93 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 2dmz h VAL 88 CO 0.17 0.00 0.53 1.05 0.02 0.00 0.00 177.57 179.34 2dmz h GLU 89 N -0.20 0.87 -1.00 1.57 4.11 -1.53 -1.10 114.58 117.30 2dmz h GLU 89 Ca 0.01 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.48 2dmz h GLU 89 Cb 0.19 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2dmz h GLU 89 CO -0.03 0.57 0.64 0.28 0.07 0.00 0.00 179.01 180.55 2dmz h VAL 90 N 0.89 1.01 -0.19 -1.06 2.07 -1.53 -1.06 116.25 116.39 2dmz h VAL 90 Ca 0.42 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2dmz h VAL 90 Cb 0.36 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2dmz h VAL 90 CO -0.24 0.20 0.01 -0.07 0.02 0.00 0.00 177.57 177.49 2dmz h LEU 91 N 1.09 0.32 -0.69 2.57 3.38 -0.88 -2.71 115.31 118.38 2dmz h LEU 91 Ca 0.46 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2dmz h LEU 91 Cb 0.33 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2dmz h LEU 91 CO -0.22 0.53 0.42 0.03 0.09 0.00 0.00 178.44 179.30 2dmz h ARG 92 N 0.09 0.79 -0.68 1.13 3.08 -0.94 -1.73 114.38 116.12 2dmz h ARG 92 Ca 0.05 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2dmz h ARG 92 Cb 0.36 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2dmz h ARG 92 CO 0.01 0.52 0.45 -0.91 -1.07 0.00 0.00 179.97 178.97 2dmz h ASN 93 N 0.81 0.71 -4.01 7.04 2.35 -1.12 -3.42 115.58 117.93 2dmz h ASN 93 Ca 0.29 -0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.50 2dmz h ASN 93 Cb 0.07 -0.16 0.11 0.00 0.05 0.00 0.00 38.32 38.39 2dmz h ASN 93 CO -0.13 0.49 0.59 0.00 -1.65 0.00 0.00 177.43 176.72 2dmz s ALA 94 N -5.71 2.98 0.00 -0.83 0.00 -0.65 -5.03 121.76 112.51 2dmz s ALA 94 Ca -0.10 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2dmz s ALA 94 Cb 0.18 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2dmz s ALA 94 CO 0.77 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2dmz n GLY 95 N 0.63 2.64 0.43 0.00 0.00 -1.26 -4.99 105.19 102.63 2dmz n GLY 95 Ca 0.08 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 2dmz n GLY 95 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dmz h GLN 96 N 0.00 -0.53 -6.18 1.61 4.15 -1.90 -3.35 115.11 108.92 2dmz h GLN 96 Ca 0.00 0.04 -0.52 0.00 0.77 0.00 0.00 58.65 58.93 2dmz h GLN 96 Cb 0.00 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 2dmz h GLN 96 CO 0.00 -0.35 1.23 0.08 -1.93 0.00 0.00 178.83 177.85 2dmz s VAL 97 N -5.47 3.54 -0.39 2.39 1.01 -1.26 -3.49 120.40 116.73 2dmz s VAL 97 Ca -0.14 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2dmz s VAL 97 Cb 0.06 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.25 2dmz s VAL 97 CO 0.56 -1.18 0.18 -0.69 0.00 0.00 0.00 175.10 173.97 2dmz s VAL 98 N 7.52 3.58 -0.86 2.92 1.01 -0.94 -4.94 120.40 128.69 2dmz s VAL 98 Ca 0.57 -1.63 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 2dmz s VAL 98 Cb -0.12 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.13 2dmz s VAL 98 CO 0.21 -0.48 1.08 -1.00 0.00 0.00 0.00 175.10 174.91 2dmz s HIS 99 N 1.28 3.02 0.02 5.22 3.76 -1.23 -1.07 115.29 126.29 2dmz s HIS 99 Ca 0.03 -1.20 -0.26 0.00 -0.15 0.00 0.00 55.06 53.47 2dmz s HIS 99 Cb -0.22 -4.28 -0.05 0.00 1.11 0.00 0.00 32.58 29.15 2dmz s HIS 99 CO -0.01 -1.52 0.83 -1.17 -0.85 0.00 0.00 174.74 172.02 2dmz s LEU 100 N 2.97 4.41 -0.36 0.89 1.98 0.54 0.97 118.68 130.08 2dmz s LEU 100 Ca 0.30 1.49 -0.09 0.00 -2.89 0.00 0.00 54.13 52.94 2dmz s LEU 100 Cb -0.08 -3.33 0.03 0.00 0.66 0.00 0.00 46.19 43.48 2dmz s LEU 100 CO -0.05 -0.08 0.16 -0.89 -1.89 0.00 0.00 176.35 173.60 2dmz s THR 101 N 0.36 4.21 0.32 3.68 2.01 0.97 -0.05 115.64 127.15 2dmz s THR 101 Ca 0.42 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.54 2dmz s THR 101 Cb -0.20 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 2dmz s THR 101 CO 0.24 -0.20 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.14 2dmz s LEU 102 N 1.49 2.63 -0.21 4.42 1.02 -1.05 -1.39 118.68 125.59 2dmz s LEU 102 Ca 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 54.13 52.91 2dmz s LEU 102 Cb -0.19 -0.84 0.07 0.00 0.02 0.00 0.00 46.19 45.25 2dmz s LEU 102 CO 0.05 -0.27 0.10 0.54 0.02 0.00 0.00 176.35 176.79 2dmz s VAL 103 N -2.78 -0.05 0.25 -1.59 0.11 -1.04 -2.12 120.40 113.19 2dmz s VAL 103 Ca 0.31 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2dmz s VAL 103 Cb 0.03 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2dmz s VAL 103 CO 0.15 -0.43 0.24 -0.13 -3.33 0.00 0.00 175.10 171.60 2dmz s ARG 104 N 2.11 3.03 0.02 1.54 0.52 -0.80 -4.44 118.95 120.93 2dmz s ARG 104 Ca 0.04 -1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 2dmz s ARG 104 Cb -0.16 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 2dmz s ARG 104 CO -0.18 0.39 1.36 0.50 0.02 0.00 0.00 175.30 177.38 2dmz s ARG 105 N -3.89 4.31 0.92 3.54 3.52 -1.26 -0.62 118.95 125.47 2dmz s ARG 105 Ca 0.34 1.94 -0.12 0.00 -0.13 0.00 0.00 55.73 57.76 2dmz s ARG 105 Cb -0.08 -3.49 0.14 0.00 -1.56 0.00 0.00 34.95 29.96 2dmz s ARG 105 CO 0.26 -0.51 1.11 0.15 -0.81 0.00 0.00 175.30 175.50 2dmz s LYS 106 N 2.03 1.07 -0.09 5.12 1.02 0.09 -4.87 119.74 124.11 2dmz s LYS 106 Ca 0.63 0.47 -0.23 0.00 0.02 0.00 0.00 55.97 56.86 2dmz s LYS 106 Cb -0.32 -1.82 -0.19 0.00 -0.52 0.00 0.00 37.83 34.99 2dmz s LYS 106 CO 0.27 -2.29 0.80 1.15 -0.92 0.00 0.00 175.35 174.37 2dmz h THR 107 N -1.57 1.21 -3.05 2.17 2.02 -1.95 -3.47 112.91 108.27 2dmz h THR 107 Ca -0.51 -1.59 -0.17 0.00 0.77 0.00 0.00 66.41 64.91 2dmz h THR 107 Cb 1.32 2.15 -0.27 0.00 -1.74 0.00 0.00 68.15 69.61 2dmz h THR 107 CO 0.59 0.36 -0.43 -0.44 0.37 0.00 0.00 175.52 175.97 2dmz s SER 108 N -5.80 -0.28 -0.27 4.18 0.01 -1.26 -5.13 113.70 105.14 2dmz s SER 108 Ca -0.14 0.55 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 2dmz s SER 108 Cb -0.01 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2dmz s SER 108 CO 0.54 -0.12 0.88 -0.55 0.41 0.00 0.00 173.24 174.40 2dmz s SER 109 N 0.56 6.83 -0.05 2.44 0.15 -1.26 -4.87 113.70 117.50 2dmz s SER 109 Ca -0.03 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2dmz s SER 109 Cb -0.05 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2dmz s SER 109 CO -0.03 -0.62 -0.04 -1.54 1.20 0.00 0.00 173.24 172.20 2dmz n SER 110 N 6.24 3.39 -4.72 5.45 3.41 -1.26 -4.11 113.62 122.02 2dmz n SER 110 Ca 0.07 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 2dmz n SER 110 Cb 0.47 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 2dmz n SER 110 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dmz s THR 111 N -2.10 3.66 -0.07 6.66 -4.23 -1.26 -3.04 115.64 115.25 2dmz s THR 111 Ca -0.07 1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 2dmz s THR 111 Cb 0.02 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.09 2dmz s THR 111 CO 0.11 0.12 0.19 -0.94 -0.54 0.00 0.00 174.62 173.56 2dmz s SER 112 N 0.86 -0.19 0.46 3.99 1.04 -1.26 -4.55 113.70 114.06 2dmz s SER 112 Ca 0.59 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2dmz s SER 112 Cb -0.33 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2dmz s SER 112 CO 0.31 -0.09 0.00 -0.81 0.98 0.00 0.00 173.24 173.64 2dmz n PRO 113 N 3.28 0.06 -0.04 4.02 -0.04 -1.26 -4.98 135.00 136.04 2dmz n PRO 113 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 2dmz n PRO 113 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.90 2dmz n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dmz n LEU 114 N 0.00 2.58 -3.27 1.53 4.77 -1.26 -4.62 117.00 116.74 2dmz n LEU 114 Ca 0.00 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 2dmz n LEU 114 Cb 0.00 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 2dmz n LEU 114 CO 0.00 0.85 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.29 2dmz n GLU 115 N -3.38 2.22 -2.26 3.23 -0.58 -1.26 -5.10 120.64 113.52 2dmz n GLU 115 Ca -0.35 -4.35 -0.39 0.00 -0.42 0.00 0.00 57.16 51.66 2dmz n GLU 115 Cb 1.03 -2.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.87 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dmz s PRO 116 N -2.43 4.07 0.91 3.49 0.04 -1.26 -5.03 135.00 134.80 2dmz s PRO 116 Ca 0.41 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 2dmz s PRO 116 Cb 0.19 -2.72 0.14 0.00 0.04 0.00 0.00 34.50 32.15 2dmz s PRO 116 CO -0.06 -0.32 1.09 -1.25 0.04 0.00 0.00 177.00 176.50 2dmz s PRO 117 N -2.24 1.13 -0.34 0.56 0.04 -1.26 -5.03 135.00 127.86 2dmz s PRO 117 Ca 0.56 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 2dmz s PRO 117 Cb -0.32 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2dmz s PRO 117 CO 0.41 -2.32 0.07 -1.54 0.04 0.00 0.00 177.00 173.66 2dmz s SER 118 N -3.43 5.03 0.31 6.66 1.04 -1.26 -4.99 113.70 117.06 2dmz s SER 118 Ca 0.64 -1.55 0.10 0.00 0.48 0.00 0.00 55.95 55.62 2dmz s SER 118 Cb -0.18 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.13 2dmz s SER 118 CO 0.57 -0.36 -0.07 1.51 0.98 0.00 0.00 173.24 175.87 2dmz s ASP 119 N 1.43 3.97 0.04 7.02 1.47 -1.26 -5.15 116.67 124.18 2dmz s ASP 119 Ca 0.00 -1.00 0.04 0.00 1.18 0.00 0.00 52.55 52.77 2dmz s ASP 119 Cb -0.21 -0.47 -0.02 0.00 -0.34 0.00 0.00 42.92 41.88 2dmz s ASP 119 CO -0.02 -0.12 -0.12 -0.60 0.68 0.00 0.00 175.17 174.98 2dmz s ARG 120 N -3.63 0.80 0.36 2.11 6.06 -1.26 -5.13 118.95 118.25 2dmz s ARG 120 Ca 0.32 -0.75 -0.12 0.00 -2.50 0.00 0.00 55.73 52.69 2dmz s ARG 120 Cb -0.02 -0.76 0.04 0.00 0.06 0.00 0.00 34.95 34.27 2dmz s ARG 120 CO 0.18 0.18 0.68 0.20 -2.50 0.00 0.00 175.30 174.04 2dmz s GLY 121 N -1.24 0.67 -0.10 8.12 0.00 -1.26 -5.18 107.32 108.32 2dmz s GLY 121 Ca -0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 2dmz s GLY 121 CO 0.01 -0.51 0.84 -1.08 0.00 0.00 0.00 173.10 172.37 2dmz s THR 122 N -2.70 0.00 -0.02 0.90 -1.32 -1.26 -5.16 115.64 106.08 2dmz s THR 122 Ca 0.20 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.53 2dmz s THR 122 Cb -0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 2dmz s THR 122 CO 0.14 0.00 0.40 0.54 -2.21 0.00 0.00 174.62 173.48 2dmz s VAL 123 N -1.26 5.06 0.60 5.08 0.11 -1.26 -5.09 120.40 123.65 2dmz s VAL 123 Ca -0.06 0.81 0.07 0.00 -2.93 0.00 0.00 61.98 59.88 2dmz s VAL 123 Cb -0.00 -3.70 0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2dmz s VAL 123 CO 0.05 0.56 0.83 -0.44 -3.33 0.00 0.00 175.10 172.77 2dmz s SER 124 N -0.94 4.94 -0.76 3.54 0.01 -1.26 -5.07 113.70 114.16 2dmz s SER 124 Ca 0.23 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 2dmz s SER 124 Cb -0.16 0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.48 2dmz s SER 124 CO 0.13 -1.45 0.60 -0.83 0.41 0.00 0.00 173.24 172.10 2dmz s GLY 125 N -4.68 2.83 1.19 3.44 0.00 -1.26 -5.08 107.32 103.75 2dmz s GLY 125 Ca 0.63 -3.61 -0.19 0.00 0.00 0.00 0.00 44.72 41.55 2dmz s GLY 125 CO 0.40 1.14 1.11 2.56 0.00 0.00 0.00 173.10 178.31 2dmz s PRO 126 N -0.85 -1.09 0.44 2.90 0.04 -1.26 -5.08 135.00 130.10 2dmz s PRO 126 Ca 0.23 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.32 2dmz s PRO 126 Cb -0.12 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2dmz s PRO 126 CO -0.09 -3.63 0.28 0.45 0.04 0.00 0.00 177.00 174.05 2dmz s SER 127 N -3.85 4.67 -1.22 6.66 0.15 -1.26 -4.70 113.70 114.15 2dmz s SER 127 Ca 0.70 -1.00 -0.06 0.00 0.70 0.00 0.00 55.95 56.29 2dmz s SER 127 Cb -0.11 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2dmz s SER 127 CO 0.56 -0.67 1.06 -0.24 1.20 0.00 0.00 173.24 175.15 2dmz n SER 128 N -1.43 -5.14 0.00 5.45 2.88 -1.26 -5.32 113.62 108.80 2dmz n SER 128 Ca 0.00 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2dmz n SER 128 Cb 0.64 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 2dmz n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42