#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 -0.13 -0.05 1.61 1.04 -1.26 -5.19 113.70 109.73 2dmz s SER 2 Ca 0.00 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 2dmz s SER 2 Cb 0.00 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.63 2dmz s SER 2 CO 0.00 -0.74 0.95 -0.55 0.98 0.00 0.00 173.24 173.88 2dmz s SER 3 N -3.01 -0.32 0.00 7.02 0.15 -1.26 -5.17 113.70 111.11 2dmz s SER 3 Ca 0.14 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2dmz s SER 3 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2dmz s SER 3 CO 0.01 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2dmz n GLY 4 N -0.17 3.75 3.18 9.45 0.00 -1.26 -4.99 105.19 115.15 2dmz n GLY 4 Ca -0.07 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 2dmz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmz n SER 5 N 0.00 -4.78 -4.44 1.61 2.88 -1.26 -4.98 113.62 102.65 2dmz n SER 5 Ca 0.00 -0.46 -0.41 0.00 -1.33 0.00 0.00 58.87 56.67 2dmz n SER 5 Cb 0.00 -4.27 -0.11 0.00 -0.75 0.00 0.00 64.21 59.08 2dmz n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmz s SER 6 N -3.47 5.84 0.00 -3.46 0.01 -1.26 -4.98 113.70 106.38 2dmz s SER 6 Ca 0.37 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2dmz s SER 6 Cb -0.16 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2dmz s SER 6 CO 0.60 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2dmz n GLY 7 N 5.05 4.01 0.00 3.44 0.00 -1.26 -5.18 105.19 111.24 2dmz n GLY 7 Ca -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 4.05 3.19 -0.02 0.00 -1.26 -5.14 105.19 106.01 2dmz n GLY 8 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 2dmz n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmz s SER 9 N 0.00 -0.11 0.44 1.61 0.01 -1.26 -5.02 113.70 109.37 2dmz s SER 9 Ca 0.00 0.85 0.18 0.00 1.31 0.00 0.00 55.95 58.29 2dmz s SER 9 Cb 0.00 1.23 1.11 0.00 0.21 0.00 0.00 66.02 68.57 2dmz s SER 9 CO 0.00 -0.24 1.90 -2.24 0.41 0.00 0.00 173.24 173.07 2dmz h ASP 10 N 8.19 0.35 -1.25 2.44 3.04 -2.02 -0.64 116.42 126.53 2dmz h ASP 10 Ca -0.16 0.03 0.36 0.00 -3.24 0.00 0.00 57.03 54.02 2dmz h ASP 10 Cb 1.11 -0.04 -0.05 0.00 -1.04 0.00 0.00 39.33 39.31 2dmz h ASP 10 CO 0.14 0.16 1.07 0.77 -2.04 0.00 0.00 179.24 179.34 2dmz h SER 11 N 0.36 0.00 -0.13 4.15 4.64 -2.00 0.47 113.55 121.03 2dmz h SER 11 Ca 0.40 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 2dmz h SER 11 Cb 1.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 2dmz h SER 11 CO -0.12 0.00 0.10 -1.20 -0.87 0.00 0.00 176.83 174.73 2dmz n SER 12 N -3.74 4.06 -0.45 4.97 7.64 -0.25 -4.51 113.62 121.33 2dmz n SER 12 Ca 0.27 -2.35 0.41 0.00 1.01 0.00 0.00 58.87 58.21 2dmz n SER 12 Cb 1.46 -0.76 0.65 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.70 0.00 -9.57 -3.43 3.38 -0.29 -3.38 115.31 103.71 2dmz h LEU 13 Ca 0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 2dmz h LEU 13 Cb 1.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 2dmz h LEU 13 CO 0.17 0.00 -0.64 -0.36 0.09 0.00 0.00 178.44 177.70 2dmz s PHE 14 N -4.67 2.81 -0.07 1.13 0.40 -1.26 -0.36 117.98 115.96 2dmz s PHE 14 Ca -0.04 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2dmz s PHE 14 Cb 0.21 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.44 2dmz s PHE 14 CO 0.69 0.56 -0.19 -1.83 0.70 0.00 0.00 175.22 175.15 2dmz s GLU 15 N -3.37 2.30 0.01 0.44 -1.05 0.51 -4.86 118.70 112.68 2dmz s GLU 15 Ca 0.30 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.37 2dmz s GLU 15 Cb -0.08 -1.84 -0.05 0.00 -0.44 0.00 0.00 34.13 31.72 2dmz s GLU 15 CO 0.20 0.17 0.28 0.99 0.95 0.00 0.00 175.26 177.85 2dmz s THR 16 N 0.33 5.27 0.03 1.83 2.01 -1.26 -1.68 115.64 122.17 2dmz s THR 16 Ca -0.13 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 2dmz s THR 16 Cb -0.15 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.81 2dmz s THR 16 CO 0.05 0.38 0.35 -0.72 -0.69 0.00 0.00 174.62 173.99 2dmz s TYR 17 N -1.29 -0.19 -0.16 4.92 1.13 -0.29 -4.99 117.35 116.48 2dmz s TYR 17 Ca 0.27 0.15 -0.06 0.00 -1.41 0.00 0.00 57.07 56.02 2dmz s TYR 17 Cb -0.13 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 2dmz s TYR 17 CO 0.16 -0.50 0.04 0.54 -2.51 0.00 0.00 175.55 173.27 2dmz s ASN 18 N -1.86 5.45 -0.31 -0.18 2.20 -1.26 -2.22 114.94 116.76 2dmz s ASN 18 Ca -0.07 0.07 -0.03 0.00 -0.94 0.00 0.00 52.86 51.89 2dmz s ASN 18 Cb -0.02 -1.86 0.05 0.00 -2.00 0.00 0.00 41.25 37.42 2dmz s ASN 18 CO -0.01 0.22 0.03 -0.69 -2.94 0.00 0.00 177.10 173.71 2dmz s VAL 19 N 0.10 3.23 -0.99 3.54 1.01 0.44 -4.88 120.40 122.83 2dmz s VAL 19 Ca 0.04 -1.31 -0.19 0.00 0.00 0.00 0.00 61.98 60.52 2dmz s VAL 19 Cb -0.13 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.52 2dmz s VAL 19 CO 0.01 -0.13 1.26 -0.70 0.00 0.00 0.00 175.10 175.54 2dmz s GLU 20 N 1.30 3.66 0.17 2.72 2.12 -1.26 -1.01 118.70 126.41 2dmz s GLU 20 Ca -0.04 -1.71 -0.30 0.00 0.36 0.00 0.00 54.97 53.28 2dmz s GLU 20 Cb -0.20 -5.06 -0.07 0.00 0.26 0.00 0.00 34.13 29.06 2dmz s GLU 20 CO 0.00 -1.89 0.96 -0.51 -0.54 0.00 0.00 175.26 173.27 2dmz s LEU 21 N 3.16 4.57 -0.17 2.70 1.43 -0.84 -4.83 118.68 124.70 2dmz s LEU 21 Ca 0.38 1.88 -0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2dmz s LEU 21 Cb -0.03 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2dmz s LEU 21 CO -0.08 0.04 0.09 0.54 0.23 0.00 0.00 176.35 177.17 2dmz s VAL 22 N -0.57 5.08 -0.54 -1.59 0.11 -1.26 -2.32 120.40 119.31 2dmz s VAL 22 Ca 0.44 0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.41 2dmz s VAL 22 Cb -0.25 -3.28 0.13 0.00 -1.53 0.00 0.00 36.38 31.46 2dmz s VAL 22 CO 0.31 0.49 0.48 -0.13 -3.33 0.00 0.00 175.10 172.92 2dmz s ARG 23 N 0.06 2.90 1.05 1.54 0.52 -1.24 -4.69 118.95 119.09 2dmz s ARG 23 Ca 0.07 -1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 53.38 2dmz s ARG 23 Cb -0.12 -4.22 0.20 0.00 0.52 0.00 0.00 34.95 31.33 2dmz s ARG 23 CO 0.00 -1.30 0.42 1.63 0.02 0.00 0.00 175.30 176.08 2dmz n LYS 24 N 5.11 -2.60 -1.60 3.54 5.02 -1.26 -4.61 118.16 121.76 2dmz n LYS 24 Ca -0.11 -0.77 -0.14 0.00 -2.02 0.00 0.00 58.31 55.26 2dmz n LYS 24 Cb 0.40 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dmz s ASP 25 N -2.11 3.96 0.00 4.39 1.01 -1.26 -2.36 116.67 120.29 2dmz s ASP 25 Ca 0.38 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.62 2dmz s ASP 25 Cb -0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2dmz s ASP 25 CO 0.34 -3.83 0.00 0.61 0.21 0.00 0.00 175.17 172.50 2dmz n GLY 26 N 6.81 3.06 3.70 0.21 0.00 -1.26 -5.03 105.19 112.68 2dmz n GLY 26 Ca 0.46 -0.90 -0.56 0.00 0.00 0.00 0.00 46.02 45.02 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 1.26 -2.27 1.61 7.27 -1.00 -4.94 117.38 119.32 2dmz n GLN 27 Ca 0.00 0.46 -0.26 0.00 0.07 0.00 0.00 57.00 57.27 2dmz n GLN 27 Cb 0.00 -2.18 0.09 0.00 2.41 0.00 0.00 30.24 30.57 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 3.80 4.46 0.03 1.69 0.01 -1.26 -3.98 113.70 118.46 2dmz s SER 28 Ca 0.99 0.22 -0.16 0.00 1.31 0.00 0.00 55.95 58.31 2dmz s SER 28 Cb -1.02 -0.72 -0.08 0.00 0.21 0.00 0.00 66.02 64.41 2dmz s SER 28 CO 0.64 -1.81 1.24 0.25 0.41 0.00 0.00 173.24 173.96 2dmz h LEU 29 N -0.71 -0.56 -2.41 2.44 5.85 -1.96 -3.32 115.31 114.63 2dmz h LEU 29 Ca -0.43 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2dmz h LEU 29 Cb 1.29 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2dmz h LEU 29 CO 0.52 -0.31 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2dmz n GLY 30 N -1.26 0.70 2.74 3.75 0.00 -1.26 -3.16 105.19 106.71 2dmz n GLY 30 Ca -0.06 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.92 0.20 -0.06 -0.61 1.01 -1.26 -3.06 121.20 114.49 2dmz s ILE 31 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 2dmz s ILE 31 Cb 0.00 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2dmz s ILE 31 CO 0.00 0.23 0.29 -0.13 0.00 0.00 0.00 174.94 175.33 2dmz s ARG 32 N 2.01 3.77 0.45 2.79 1.81 -0.55 -5.02 118.95 124.21 2dmz s ARG 32 Ca 0.05 0.17 0.05 0.00 -1.72 0.00 0.00 55.73 54.28 2dmz s ARG 32 Cb -0.12 -3.23 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 2dmz s ARG 32 CO -0.04 0.68 0.07 0.96 -0.68 0.00 0.00 175.30 176.29 2dmz s ILE 33 N -0.90 1.79 -0.03 1.52 -4.36 -1.26 0.22 121.20 118.17 2dmz s ILE 33 Ca 0.20 -1.90 -0.18 0.00 -0.26 0.00 0.00 60.65 58.50 2dmz s ILE 33 Cb -0.15 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 40.91 2dmz s ILE 33 CO 0.09 0.00 0.40 0.54 0.24 0.00 0.00 174.94 176.21 2dmz s VAL 34 N -2.74 0.04 -0.32 8.37 0.11 0.44 -4.35 120.40 121.95 2dmz s VAL 34 Ca 0.27 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.87 2dmz s VAL 34 Cb 0.05 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2dmz s VAL 34 CO 0.15 -0.19 0.19 -0.83 -3.33 0.00 0.00 175.10 171.09 2dmz s GLY 35 N -1.22 1.91 0.10 6.54 0.00 -1.26 -2.19 107.32 111.19 2dmz s GLY 35 Ca -0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 2dmz s GLY 35 CO 0.05 0.73 0.27 -0.19 0.00 0.00 0.00 173.10 173.97 2dmz s TYR 36 N 1.65 3.50 0.00 1.90 2.02 -0.31 -4.97 117.35 121.15 2dmz s TYR 36 Ca 0.05 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2dmz s TYR 36 Cb -0.17 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2dmz s TYR 36 CO 0.08 0.53 0.00 1.33 -1.57 0.00 0.00 175.55 175.92 2dmz n VAL 37 N 0.15 0.00 -2.10 0.71 0.24 -1.23 -2.89 118.33 113.21 2dmz n VAL 37 Ca -0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 2dmz n VAL 37 Cb 0.51 -0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.71 2dmz n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dmz n GLY 38 N 1.94 -4.09 0.00 7.63 0.00 -0.46 -4.53 105.19 105.68 2dmz n GLY 38 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 0.80 0.00 -2.09 2.61 5.66 -1.26 -4.76 114.28 115.23 2dmz n THR 39 Ca -0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.43 2dmz n THR 39 Cb 0.28 -0.27 -0.01 0.00 -1.55 0.00 0.00 70.33 68.79 2dmz n THR 39 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dmz s SER 40 N -2.00 6.29 0.82 1.09 0.15 -1.26 -4.97 113.70 113.81 2dmz s SER 40 Ca 0.00 2.59 -0.13 0.00 0.70 0.00 0.00 55.95 59.11 2dmz s SER 40 Cb 0.00 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 2dmz s SER 40 CO 0.00 -0.86 1.10 0.00 1.20 0.00 0.00 173.24 174.69 2dmz n HIS 41 N 0.04 0.94 -3.90 3.44 1.44 -1.26 -2.93 115.22 112.99 2dmz n HIS 41 Ca 0.04 0.39 -0.24 0.00 -2.01 0.00 0.00 57.72 55.90 2dmz n HIS 41 Cb 0.44 -2.07 -0.07 0.00 0.12 0.00 0.00 29.99 28.41 2dmz n HIS 41 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2dmz n THR 42 N -3.31 -0.82 -2.70 0.61 5.66 -1.26 -4.78 114.28 107.68 2dmz n THR 42 Ca 0.13 -0.39 -0.07 0.00 -3.05 0.00 0.00 64.05 60.67 2dmz n THR 42 Cb 0.51 -0.81 0.11 0.00 -1.55 0.00 0.00 70.33 68.59 2dmz n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dmz n GLY 43 N -2.20 1.11 3.66 1.09 0.00 -1.15 -5.12 105.19 102.58 2dmz n GLY 43 Ca -0.25 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2dmz n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmz s GLU 44 N 0.18 4.17 -0.30 1.61 0.41 -1.26 -4.63 118.70 118.89 2dmz s GLU 44 Ca 0.20 2.33 -0.05 0.00 -0.41 0.00 0.00 54.97 57.04 2dmz s GLU 44 Cb 0.36 -4.03 0.18 0.00 -1.78 0.00 0.00 34.13 28.86 2dmz s GLU 44 CO -0.08 -0.88 0.70 0.00 -0.49 0.00 0.00 175.26 174.51 2dmz s ALA 45 N 4.13 -2.45 -0.14 5.21 0.00 -1.26 -5.04 121.76 122.22 2dmz s ALA 45 Ca 0.78 1.87 -0.03 0.00 0.00 0.00 0.00 51.96 54.58 2dmz s ALA 45 Cb -0.36 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.64 2dmz s ALA 45 CO 0.33 -1.27 0.04 -1.54 0.00 0.00 0.00 175.76 173.32 2dmz s SER 46 N 2.86 2.20 0.00 0.00 1.04 -1.26 -1.36 113.70 117.18 2dmz s SER 46 Ca 0.12 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2dmz s SER 46 Cb -0.13 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2dmz s SER 46 CO -0.19 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2dmz n GLY 47 N 5.16 -1.28 3.62 7.32 0.00 -1.14 -4.96 105.19 113.91 2dmz n GLY 47 Ca -0.07 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.00 5.33 0.07 -0.61 -1.09 -1.26 -1.16 121.20 119.48 2dmz s ILE 48 Ca 0.00 0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.66 2dmz s ILE 48 Cb 0.00 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 2dmz s ILE 48 CO 0.00 0.29 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.53 2dmz s TYR 49 N 1.46 1.37 -0.01 3.97 1.51 -0.93 -2.05 117.35 122.66 2dmz s TYR 49 Ca 0.07 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2dmz s TYR 49 Cb -0.15 -0.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.85 2dmz s TYR 49 CO 0.08 0.08 1.79 0.08 -1.11 0.00 0.00 175.55 176.48 2dmz s VAL 50 N -1.12 3.31 0.03 0.71 1.01 -1.12 -0.42 120.40 122.81 2dmz s VAL 50 Ca 0.01 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 2dmz s VAL 50 Cb -0.09 -3.26 -0.32 0.00 0.00 0.00 0.00 36.38 32.71 2dmz s VAL 50 CO 0.02 -0.03 1.04 0.50 0.00 0.00 0.00 175.10 176.63 2dmz h LYS 51 N 9.96 0.56 -2.23 2.72 1.63 -0.43 -3.28 116.57 125.51 2dmz h LYS 51 Ca -0.44 -0.84 0.19 0.00 -0.85 0.00 0.00 60.65 58.71 2dmz h LYS 51 Cb 1.20 0.30 -0.09 0.00 -0.60 0.00 0.00 32.23 33.04 2dmz h LYS 51 CO 0.95 1.39 0.53 -1.12 -3.45 0.00 0.00 179.45 177.75 2dmz s SER 52 N -7.44 -0.17 -0.06 4.20 0.01 -1.22 -4.87 113.70 104.14 2dmz s SER 52 Ca -0.10 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2dmz s SER 52 Cb 0.04 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.73 2dmz s SER 52 CO 0.93 -0.82 -0.10 -0.69 0.41 0.00 0.00 173.24 172.97 2dmz s VAL 53 N -3.17 0.98 -0.07 3.43 1.01 -1.26 -1.49 120.40 119.83 2dmz s VAL 53 Ca 0.12 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2dmz s VAL 53 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2dmz s VAL 53 CO 0.01 0.32 1.19 -0.63 0.00 0.00 0.00 175.10 175.99 2dmz s ILE 54 N 0.76 4.30 -0.05 2.22 1.09 -1.17 -4.98 121.20 123.36 2dmz s ILE 54 Ca -0.13 1.62 -0.30 0.00 -1.10 0.00 0.00 60.65 60.74 2dmz s ILE 54 Cb -0.15 -4.04 -0.05 0.00 -1.06 0.00 0.00 42.46 37.16 2dmz s ILE 54 CO 0.02 -0.01 1.49 -2.16 -0.10 0.00 0.00 174.94 174.19 2dmz s PRO 55 N 2.27 4.22 0.00 2.79 0.04 -1.26 -3.04 135.00 140.03 2dmz s PRO 55 Ca 0.55 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2dmz s PRO 55 Cb -0.24 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2dmz s PRO 55 CO 0.21 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2dmz n GLY 56 N 3.86 1.17 3.83 0.56 0.00 -1.26 -5.11 105.19 108.24 2dmz n GLY 56 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2dmz n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmz s SER 57 N -2.00 4.49 0.12 1.61 1.04 -1.17 -5.01 113.70 112.78 2dmz s SER 57 Ca 0.00 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 54.97 2dmz s SER 57 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2dmz s SER 57 CO 0.00 -0.90 1.70 0.00 0.98 0.00 0.00 173.24 175.02 2dmz h ALA 58 N 1.05 0.35 -0.40 5.32 0.00 -1.65 -0.72 119.26 123.20 2dmz h ALA 58 Ca -0.40 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2dmz h ALA 58 Cb 1.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2dmz h ALA 58 CO 0.64 -0.11 0.27 0.00 0.00 0.00 0.00 179.25 180.05 2dmz h ALA 59 N 1.01 1.91 0.00 0.00 0.00 -1.82 0.15 119.26 120.51 2dmz h ALA 59 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dmz h ALA 59 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dmz h ALA 59 CO -0.01 0.03 -0.21 -0.92 0.00 0.00 0.00 179.25 178.14 2dmz h TYR 60 N 0.36 0.00 0.03 0.00 3.20 -1.67 -2.98 116.97 115.92 2dmz h TYR 60 Ca 0.17 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 2dmz h TYR 60 Cb 0.21 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.49 2dmz h TYR 60 CO -0.00 0.00 -0.44 0.45 -1.64 0.00 0.00 178.16 176.53 2dmz h HIS 61 N 0.00 0.38 -0.47 -3.82 3.86 0.52 -3.32 115.15 112.31 2dmz h HIS 61 Ca 0.00 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 2dmz h HIS 61 Cb 0.95 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 2dmz h HIS 61 CO 0.00 1.09 -0.23 -0.97 0.86 0.00 0.00 177.93 178.67 2dmz h ASN 62 N -0.43 1.01 -0.32 2.45 -0.73 -1.45 -3.47 115.58 112.64 2dmz h ASN 62 Ca -0.07 -0.40 -0.14 0.00 1.87 0.00 0.00 56.30 57.56 2dmz h ASN 62 Cb 1.24 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 39.49 2dmz h ASN 62 CO 0.09 1.19 -0.12 0.61 -0.37 0.00 0.00 177.43 178.83 2dmz n GLY 63 N -0.07 0.89 0.00 1.57 0.00 -1.12 -4.87 105.19 101.58 2dmz n GLY 63 Ca -0.00 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.76 0.00 -3.93 1.61 8.25 -1.26 -4.82 115.22 112.31 2dmz n HIS 64 Ca -0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 2dmz n HIS 64 Cb 0.24 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.76 2.16 0.36 1.59 1.01 -1.26 -5.09 121.20 117.21 2dmz s ILE 65 Ca -0.01 -2.65 0.05 0.00 0.00 0.00 0.00 60.65 58.04 2dmz s ILE 65 Cb 0.10 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2dmz s ILE 65 CO 0.62 -0.72 0.19 0.00 0.00 0.00 0.00 174.94 175.04 2dmz s GLN 66 N 0.46 1.80 1.04 2.79 0.00 -1.26 -4.73 119.66 119.76 2dmz s GLN 66 Ca 0.14 -2.07 -0.17 0.00 -0.00 0.00 0.00 55.36 53.26 2dmz s GLN 66 Cb -0.22 -0.15 0.04 0.00 0.00 0.00 0.00 33.01 32.68 2dmz s GLN 66 CO -0.06 -0.54 -0.04 1.33 0.00 0.00 0.00 175.29 175.98 2dmz n VAL 67 N -0.74 0.00 -3.16 3.63 0.24 -1.26 -3.58 118.33 113.46 2dmz n VAL 67 Ca 0.00 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.34 61.88 2dmz n VAL 67 Cb 0.64 -0.52 0.05 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.77 -5.23 -4.24 -1.34 3.02 -1.24 -4.94 115.26 100.54 2dmz n ASN 68 Ca 0.02 -0.34 -0.16 0.00 -0.03 0.00 0.00 54.58 54.08 2dmz n ASN 68 Cb 0.60 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.76 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 -3.08 1.83 -0.13 6.41 1.01 -1.23 -5.00 116.67 116.47 2dmz s ASP 69 Ca 0.37 -0.91 0.02 0.00 0.71 0.00 0.00 52.55 52.74 2dmz s ASP 69 Cb -0.16 -0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.74 2dmz s ASP 69 CO 0.46 -0.25 -0.21 -0.75 0.21 0.00 0.00 175.17 174.62 2dmz s LYS 70 N -3.24 3.06 -0.22 8.23 2.20 -1.26 -2.78 119.74 125.73 2dmz s LYS 70 Ca 0.13 -0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 2dmz s LYS 70 Cb -0.01 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2dmz s LYS 70 CO 0.02 0.03 0.41 0.42 -0.36 0.00 0.00 175.35 175.87 2dmz s ILE 71 N 0.71 5.18 -0.19 5.43 1.01 -0.87 -2.62 121.20 129.84 2dmz s ILE 71 Ca -0.09 0.70 0.10 0.00 0.00 0.00 0.00 60.65 61.36 2dmz s ILE 71 Cb -0.16 -3.73 -0.19 0.00 0.01 0.00 0.00 42.46 38.39 2dmz s ILE 71 CO 0.01 0.22 -0.05 1.33 0.00 0.00 0.00 174.94 176.45 2dmz n VAL 72 N 4.55 1.23 -3.73 2.92 0.24 0.19 -4.66 118.33 119.06 2dmz n VAL 72 Ca -0.08 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.45 2dmz n VAL 72 Cb 0.51 -0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.43 -0.91 -0.20 2.33 0.00 -1.08 -2.61 121.76 116.86 2dmz s ALA 73 Ca -0.17 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2dmz s ALA 73 Cb 0.06 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.30 2dmz s ALA 73 CO 0.63 -0.27 0.01 0.08 0.00 0.00 0.00 175.76 176.21 2dmz s VAL 74 N -1.28 0.77 -1.26 0.00 1.01 -0.57 0.34 120.40 119.41 2dmz s VAL 74 Ca -0.13 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2dmz s VAL 74 Cb -0.05 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2dmz s VAL 74 CO 0.05 -0.18 0.96 0.47 0.00 0.00 0.00 175.10 176.40 2dmz n ASP 75 N 4.96 -5.91 -0.34 3.32 9.92 0.74 -2.09 116.55 127.15 2dmz n ASP 75 Ca -0.10 -0.44 -0.04 0.00 -0.53 0.00 0.00 54.79 53.69 2dmz n ASP 75 Cb 0.46 -4.57 -0.01 0.00 -0.64 0.00 0.00 41.12 36.37 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 -1.78 0.46 3.08 0.44 0.00 -1.26 -4.97 105.19 101.15 2dmz n GLY 76 Ca -0.01 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.15 2.31 -0.73 1.61 1.01 -0.89 -5.05 120.40 116.50 2dmz s VAL 77 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 2dmz s VAL 77 Cb 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 2dmz s VAL 77 CO 0.00 -0.13 2.21 0.21 0.00 0.00 0.00 175.10 177.39 2dmz s ASN 78 N 1.10 4.53 -0.00 3.32 3.84 -1.26 -1.51 114.94 124.96 2dmz s ASN 78 Ca -0.05 0.11 0.10 0.00 0.21 0.00 0.00 52.86 53.23 2dmz s ASN 78 Cb -0.20 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.24 2dmz s ASN 78 CO -0.05 -3.16 1.23 2.30 -2.79 0.00 0.00 177.10 174.64 2dmz n ILE 79 N 8.15 0.43 -1.41 -5.21 -5.35 -1.07 -4.80 119.36 110.10 2dmz n ILE 79 Ca 0.39 -0.42 -0.16 0.00 -0.27 0.00 0.00 62.75 62.28 2dmz n ILE 79 Cb 0.48 0.21 -0.11 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.42 0.07 0.00 6.28 6.02 -1.20 -0.17 117.38 128.81 2dmz n GLN 80 Ca 0.11 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 2dmz n GLN 80 Cb 0.27 -3.57 0.00 0.00 1.02 0.00 0.00 30.24 27.96 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 5.88 1.60 3.85 1.08 0.00 -1.26 -5.13 105.19 111.20 2dmz n GLY 81 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 2dmz n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmz s PHE 82 N -1.73 3.43 0.41 1.61 0.40 0.76 -5.06 117.98 117.80 2dmz s PHE 82 Ca 0.00 1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 57.18 2dmz s PHE 82 Cb 0.00 -2.43 -0.09 0.00 0.51 0.00 0.00 43.02 41.01 2dmz s PHE 82 CO 0.00 0.20 1.09 0.00 0.70 0.00 0.00 175.22 177.21 2dmz s ALA 83 N -1.84 3.09 0.10 5.36 0.00 -1.26 -4.79 121.76 122.41 2dmz s ALA 83 Ca 0.49 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 53.04 2dmz s ALA 83 Cb -0.11 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2dmz s ALA 83 CO 0.19 -0.33 1.07 0.09 0.00 0.00 0.00 175.76 176.78 2dmz n ASN 84 N -0.08 -0.67 -0.17 0.00 4.13 -1.26 0.89 115.26 118.10 2dmz n ASN 84 Ca 0.05 1.22 -0.06 0.00 1.68 0.00 0.00 54.58 57.47 2dmz n ASN 84 Cb 0.49 -0.19 0.03 0.00 -1.54 0.00 0.00 39.78 38.56 2dmz n ASN 84 CO 0.00 0.00 0.00 1.12 0.28 0.00 0.00 177.26 178.66 2dmz h HIS 85 N 0.00 0.62 -0.70 3.10 2.07 -2.00 -1.36 115.15 116.88 2dmz h HIS 85 Ca 0.10 0.02 0.20 0.00 -2.85 0.00 0.00 60.37 57.84 2dmz h HIS 85 Cb 0.26 -0.20 -0.03 0.00 2.57 0.00 0.00 27.41 30.01 2dmz h HIS 85 CO -0.74 0.37 0.53 -0.44 -3.07 0.00 0.00 177.93 174.58 2dmz h ASP 86 N 0.66 0.00 0.51 3.10 5.19 0.16 0.10 116.42 126.14 2dmz h ASP 86 Ca 0.20 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.31 2dmz h ASP 86 Cb -0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2dmz h ASP 86 CO -0.07 0.00 -1.46 0.58 -3.12 0.00 0.00 179.24 175.17 2dmz h VAL 87 N 0.00 1.24 -0.80 -1.35 2.07 0.21 -3.23 116.25 114.39 2dmz h VAL 87 Ca 0.33 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.98 2dmz h VAL 87 Cb 1.38 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.91 2dmz h VAL 87 CO -0.00 0.83 0.49 0.58 0.02 0.00 0.00 177.57 179.49 2dmz h VAL 88 N 0.07 1.22 -0.08 2.57 2.07 -0.07 -2.03 116.25 119.99 2dmz h VAL 88 Ca -0.21 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 2dmz h VAL 88 Cb 2.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2dmz h VAL 88 CO 0.17 0.23 -0.38 1.05 0.02 0.00 0.00 177.57 178.65 2dmz h GLU 89 N 1.09 0.17 -0.25 1.57 4.11 -1.48 -2.72 114.58 117.06 2dmz h GLU 89 Ca 0.29 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.61 2dmz h GLU 89 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2dmz h GLU 89 CO -0.06 0.53 0.02 0.28 0.07 0.00 0.00 179.01 179.85 2dmz h VAL 90 N 0.14 1.24 -0.65 -1.06 2.07 -1.40 -1.27 116.25 115.32 2dmz h VAL 90 Ca 0.01 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2dmz h VAL 90 Cb 0.74 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2dmz h VAL 90 CO 0.06 0.26 0.33 -0.07 0.02 0.00 0.00 177.57 178.17 2dmz h LEU 91 N 0.22 0.84 -0.88 2.57 3.38 -1.32 -2.34 115.31 117.79 2dmz h LEU 91 Ca 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2dmz h LEU 91 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2dmz h LEU 91 CO 0.01 0.72 0.06 0.03 0.09 0.00 0.00 178.44 179.35 2dmz h ARG 92 N 0.90 0.89 -0.22 1.13 3.08 -1.40 -2.55 114.38 116.21 2dmz h ARG 92 Ca 0.23 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2dmz h ARG 92 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2dmz h ARG 92 CO -0.03 0.85 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.75 2dmz h ASN 93 N 0.84 0.31 -4.09 7.04 2.35 -0.84 -3.43 115.58 117.77 2dmz h ASN 93 Ca 0.17 -0.05 -0.56 0.00 -0.55 0.00 0.00 56.30 55.31 2dmz h ASN 93 Cb 0.41 -0.08 0.15 0.00 0.05 0.00 0.00 38.32 38.85 2dmz h ASN 93 CO 0.01 0.41 0.56 0.00 -1.65 0.00 0.00 177.43 176.76 2dmz s ALA 94 N -4.88 2.55 0.02 -0.83 0.00 -0.92 -5.03 121.76 112.69 2dmz s ALA 94 Ca -0.06 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2dmz s ALA 94 Cb 0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2dmz s ALA 94 CO 0.74 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2dmz n GLY 95 N 0.84 1.85 0.40 0.00 0.00 -1.26 -5.00 105.19 102.01 2dmz n GLY 95 Ca 0.14 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.23 -6.04 1.61 4.15 -1.91 -3.29 115.11 109.40 2dmz h GLN 96 Ca 0.00 0.02 -0.48 0.00 0.77 0.00 0.00 58.65 58.95 2dmz h GLN 96 Cb 0.00 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 2dmz h GLN 96 CO 0.00 -0.15 1.17 0.08 -1.93 0.00 0.00 178.83 178.00 2dmz s VAL 97 N -5.32 3.55 -0.59 2.39 1.01 -1.26 -3.59 120.40 116.58 2dmz s VAL 97 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 2dmz s VAL 97 Cb 0.08 -4.37 0.15 0.00 0.00 0.00 0.00 36.38 32.24 2dmz s VAL 97 CO 0.55 -1.32 0.51 -0.69 0.00 0.00 0.00 175.10 174.16 2dmz s VAL 98 N 7.82 4.92 -0.87 2.92 1.01 -0.98 -4.94 120.40 130.29 2dmz s VAL 98 Ca 0.56 -1.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.42 2dmz s VAL 98 Cb -0.08 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.20 2dmz s VAL 98 CO 0.10 -0.88 1.29 -1.00 0.00 0.00 0.00 175.10 174.62 2dmz s HIS 99 N 1.11 2.52 -0.14 5.22 3.76 -1.25 -1.98 115.29 124.54 2dmz s HIS 99 Ca 0.08 -0.58 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 2dmz s HIS 99 Cb -0.24 -4.58 -0.02 0.00 1.11 0.00 0.00 32.58 28.85 2dmz s HIS 99 CO -0.01 -1.90 0.77 -1.17 -0.85 0.00 0.00 174.74 171.57 2dmz s LEU 100 N 4.88 4.22 -0.31 0.89 1.98 -0.18 -0.19 118.68 129.97 2dmz s LEU 100 Ca 0.38 1.14 -0.11 0.00 -2.89 0.00 0.00 54.13 52.65 2dmz s LEU 100 Cb -0.05 -3.14 -0.02 0.00 0.66 0.00 0.00 46.19 43.63 2dmz s LEU 100 CO 0.01 -0.29 0.18 -0.89 -1.89 0.00 0.00 176.35 173.47 2dmz s THR 101 N 1.69 4.90 0.10 3.68 2.01 0.15 -0.42 115.64 127.75 2dmz s THR 101 Ca 0.37 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2dmz s THR 101 Cb -0.17 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2dmz s THR 101 CO 0.14 0.08 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.33 2dmz s LEU 102 N 1.67 2.51 -0.09 4.42 1.02 -0.94 -0.64 118.68 126.62 2dmz s LEU 102 Ca 0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.19 2dmz s LEU 102 Cb -0.17 -0.10 0.03 0.00 0.02 0.00 0.00 46.19 45.97 2dmz s LEU 102 CO 0.08 -0.45 -0.04 0.54 0.02 0.00 0.00 176.35 176.50 2dmz s VAL 103 N -3.60 0.69 0.18 -1.59 0.11 -1.08 -1.14 120.40 113.98 2dmz s VAL 103 Ca 0.13 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 2dmz s VAL 103 Cb 0.05 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2dmz s VAL 103 CO -0.04 0.31 0.08 -0.13 -3.33 0.00 0.00 175.10 171.99 2dmz s ARG 104 N 1.71 2.68 -0.19 1.54 0.52 -0.67 -4.39 118.95 120.16 2dmz s ARG 104 Ca 0.03 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 53.95 2dmz s ARG 104 Cb -0.13 -2.51 -0.00 0.00 0.52 0.00 0.00 34.95 32.84 2dmz s ARG 104 CO -0.06 0.46 1.11 0.50 0.02 0.00 0.00 175.30 177.33 2dmz s ARG 105 N -3.13 4.28 1.07 3.54 3.52 -1.26 -0.36 118.95 126.60 2dmz s ARG 105 Ca 0.30 1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 57.20 2dmz s ARG 105 Cb -0.09 -3.66 0.25 0.00 -1.56 0.00 0.00 34.95 29.89 2dmz s ARG 105 CO 0.21 -0.61 0.56 1.63 -0.81 0.00 0.00 175.30 176.29 2dmz n LYS 106 N 6.19 -2.82 -1.39 5.12 5.02 0.51 -4.94 118.16 125.85 2dmz n LYS 106 Ca 0.12 -0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 55.17 2dmz n LYS 106 Cb 0.46 -1.46 0.23 0.00 -0.02 0.00 0.00 35.03 34.24 2dmz n LYS 106 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2dmz s THR 107 N -1.90 1.72 0.14 -0.18 -4.23 -1.26 -4.90 115.64 105.02 2dmz s THR 107 Ca 0.43 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.69 2dmz s THR 107 Cb -0.08 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 70.94 2dmz s THR 107 CO 0.36 0.00 0.50 -1.20 -0.54 0.00 0.00 174.62 173.74 2dmz n SER 108 N -4.45 -0.89 -4.40 3.99 7.64 -1.26 -4.96 113.62 109.28 2dmz n SER 108 Ca 0.15 0.95 -0.27 0.00 1.01 0.00 0.00 58.87 60.70 2dmz n SER 108 Cb 0.60 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2dmz n SER 108 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmz n SER 109 N 1.61 3.04 -4.50 6.43 3.41 -1.26 -5.10 113.62 117.25 2dmz n SER 109 Ca 0.15 -2.88 -0.30 0.00 -0.26 0.00 0.00 58.87 55.58 2dmz n SER 109 Cb 0.19 0.21 0.22 0.00 -0.26 0.00 0.00 64.21 64.56 2dmz n SER 109 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmz n SER 110 N -1.44 -1.29 -4.21 4.04 7.64 -1.26 -3.27 113.62 113.83 2dmz n SER 110 Ca -0.14 0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.45 2dmz n SER 110 Cb 0.56 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 2dmz n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dmz n THR 111 N -4.64 -1.50 -2.25 0.44 -2.24 -1.26 -4.88 114.28 97.95 2dmz n THR 111 Ca 0.05 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 2dmz n THR 111 Cb 0.54 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.11 2dmz n THR 111 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dmz s SER 112 N -3.88 6.37 0.68 3.42 1.04 -1.20 -5.04 113.70 115.08 2dmz s SER 112 Ca 0.35 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.14 2dmz s SER 112 Cb -0.19 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2dmz s SER 112 CO 0.95 -0.78 0.00 -0.81 0.98 0.00 0.00 173.24 173.57 2dmz n PRO 113 N -0.13 -0.38 -0.08 4.02 -0.04 -1.26 -5.05 135.00 132.08 2dmz n PRO 113 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2dmz n PRO 113 Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 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 1.70 -3.32 1.53 4.77 -1.26 -4.83 117.00 115.58 2dmz n LEU 114 Ca 0.00 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2dmz n LEU 114 Cb 0.00 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2dmz n LEU 114 CO 0.00 -0.09 -0.02 -1.84 -1.33 0.00 0.00 177.39 174.11 2dmz n GLU 115 N -4.17 2.09 -1.19 3.23 0.28 -1.26 -5.10 120.64 114.52 2dmz n GLU 115 Ca -0.22 -4.29 -0.29 0.00 -0.16 0.00 0.00 57.16 52.20 2dmz n GLU 115 Cb 0.54 -1.98 0.15 0.00 1.43 0.00 0.00 31.44 31.59 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dmz s PRO 116 N -2.24 0.98 0.33 3.44 0.04 -1.26 -5.00 135.00 131.29 2dmz s PRO 116 Ca 0.39 0.72 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 2dmz s PRO 116 Cb 0.17 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.83 2dmz s PRO 116 CO -0.05 -2.41 1.22 -1.25 0.04 0.00 0.00 177.00 174.55 2dmz s PRO 117 N -4.94 4.37 -0.02 0.56 0.04 -1.26 -5.05 135.00 128.70 2dmz s PRO 117 Ca 0.64 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.58 2dmz s PRO 117 Cb -0.18 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2dmz s PRO 117 CO 0.57 -0.11 0.26 -1.12 0.04 0.00 0.00 177.00 176.65 2dmz s SER 118 N -0.74 -0.14 0.34 6.66 0.01 -1.26 -5.16 113.70 113.42 2dmz s SER 118 Ca 0.49 0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.56 2dmz s SER 118 Cb -0.36 0.31 -0.10 0.00 0.21 0.00 0.00 66.02 66.08 2dmz s SER 118 CO 0.47 -0.40 0.93 1.51 0.41 0.00 0.00 173.24 176.16 2dmz s ASP 119 N -1.23 7.22 0.01 2.44 -4.77 -1.26 -5.07 116.67 114.01 2dmz s ASP 119 Ca -0.13 1.77 0.06 0.00 -3.30 0.00 0.00 52.55 50.96 2dmz s ASP 119 Cb -0.06 -2.56 -0.02 0.00 -1.09 0.00 0.00 42.92 39.20 2dmz s ASP 119 CO 0.03 -0.13 -0.19 -0.60 0.70 0.00 0.00 175.17 174.98 2dmz s ARG 120 N -2.33 1.42 0.97 2.11 6.06 -1.26 -5.15 118.95 120.77 2dmz s ARG 120 Ca 0.53 -0.78 -0.16 0.00 -2.50 0.00 0.00 55.73 52.81 2dmz s ARG 120 Cb -0.16 -1.44 0.20 0.00 0.06 0.00 0.00 34.95 33.62 2dmz s ARG 120 CO 0.21 0.38 1.32 0.20 -2.50 0.00 0.00 175.30 174.91 2dmz s GLY 121 N -0.78 1.77 0.04 8.12 0.00 -1.26 -5.08 107.32 110.13 2dmz s GLY 121 Ca 0.07 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.63 2dmz s GLY 121 CO 0.00 -0.42 -0.02 -1.08 0.00 0.00 0.00 173.10 171.59 2dmz s THR 122 N -3.86 3.94 -0.16 0.90 -1.32 -1.26 -5.11 115.64 108.78 2dmz s THR 122 Ca 0.74 -0.82 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2dmz s THR 122 Cb -0.04 -2.80 0.08 0.00 -1.51 0.00 0.00 72.50 68.23 2dmz s THR 122 CO 0.53 0.27 0.21 -0.69 -2.21 0.00 0.00 174.62 172.73 2dmz s VAL 123 N -1.15 -0.31 0.58 5.08 1.01 -1.26 -5.15 120.40 119.19 2dmz s VAL 123 Ca 0.21 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2dmz s VAL 123 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2dmz s VAL 123 CO 0.13 -0.08 0.97 -0.55 0.00 0.00 0.00 175.10 175.57 2dmz s SER 124 N 2.33 6.26 0.43 3.32 0.15 -1.26 -5.09 113.70 119.83 2dmz s SER 124 Ca 0.05 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.09 2dmz s SER 124 Cb -0.14 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2dmz s SER 124 CO -0.10 -0.79 0.41 -0.83 1.20 0.00 0.00 173.24 173.13 2dmz s GLY 125 N -4.11 2.12 1.25 9.45 0.00 -1.26 -5.13 107.32 109.64 2dmz s GLY 125 Ca 0.53 -1.85 -0.21 0.00 0.00 0.00 0.00 44.72 43.20 2dmz s GLY 125 CO 0.51 -1.68 1.11 2.56 0.00 0.00 0.00 173.10 175.60 2dmz s PRO 126 N -4.18 -1.62 0.28 2.90 0.04 -1.26 -5.10 135.00 126.07 2dmz s PRO 126 Ca 0.49 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.36 2dmz s PRO 126 Cb -0.04 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 2dmz s PRO 126 CO 0.29 -3.95 0.19 -1.12 0.04 0.00 0.00 177.00 172.45 2dmz s SER 127 N -4.00 1.11 -1.40 6.66 0.01 -1.26 -4.89 113.70 109.94 2dmz s SER 127 Ca 0.72 -1.58 -0.08 0.00 1.31 0.00 0.00 55.95 56.33 2dmz s SER 127 Cb -0.07 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.64 2dmz s SER 127 CO 0.56 -0.94 0.99 -1.20 0.41 0.00 0.00 173.24 173.06 2dmz n SER 128 N -0.93 -4.21 0.00 2.44 7.64 -1.26 -5.37 113.62 111.92 2dmz n SER 128 Ca 0.04 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2dmz n SER 128 Cb 0.64 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 2dmz n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64