#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmz h SER 2 N 0.00 0.05 -0.83 1.61 4.64 -2.12 -1.33 113.55 115.56 2dmz h SER 2 Ca 0.00 0.13 0.23 0.00 -0.47 0.00 0.00 61.79 61.68 2dmz h SER 2 Cb 0.00 0.17 -0.15 0.00 -0.31 0.00 0.00 62.40 62.10 2dmz h SER 2 CO 0.00 0.00 0.03 -0.24 -0.87 0.00 0.00 176.83 175.75 2dmz n SER 3 N -5.12 -0.08 0.00 4.97 2.88 -1.26 -4.84 113.62 110.16 2dmz n SER 3 Ca 0.12 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2dmz n SER 3 Cb 0.40 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2dmz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmz n GLY 4 N -1.41 2.83 3.59 0.46 0.00 -0.50 -5.17 105.19 104.99 2dmz n GLY 4 Ca 0.20 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2dmz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmz s SER 5 N 0.00 -0.47 -0.24 1.61 0.15 -1.26 -4.01 113.70 109.48 2dmz s SER 5 Ca 0.00 0.69 -0.26 0.00 0.70 0.00 0.00 55.95 57.08 2dmz s SER 5 Cb 0.00 0.62 0.09 0.00 -1.71 0.00 0.00 66.02 65.02 2dmz s SER 5 CO 0.00 -0.31 0.82 -0.94 1.20 0.00 0.00 173.24 174.01 2dmz s SER 6 N -0.57 -0.63 -0.79 5.45 1.04 -1.26 -5.06 113.70 111.89 2dmz s SER 6 Ca -0.01 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 2dmz s SER 6 Cb -0.02 1.10 0.38 0.00 0.10 0.00 0.00 66.02 67.58 2dmz s SER 6 CO 0.00 -0.28 2.00 0.61 0.98 0.00 0.00 173.24 176.56 2dmz n GLY 7 N 2.19 5.63 3.52 7.32 0.00 -1.26 -4.92 105.19 117.67 2dmz n GLY 7 Ca -0.14 -2.45 -0.24 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.63 -0.85 3.72 -0.02 0.00 -1.26 -4.94 105.19 101.20 2dmz n GLY 8 Ca 0.56 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 47.19 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 -2.50 -0.13 -0.77 1.61 0.01 -1.26 -5.10 113.70 105.57 2dmz s SER 9 Ca 0.07 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2dmz s SER 9 Cb -0.01 0.38 0.22 0.00 0.21 0.00 0.00 66.02 66.82 2dmz s SER 9 CO 0.77 -0.70 0.73 -0.90 0.41 0.00 0.00 173.24 173.55 2dmz n ASP 10 N -0.51 3.85 -0.03 2.44 5.68 -1.26 -4.85 116.55 121.86 2dmz n ASP 10 Ca -0.07 -3.28 -0.04 0.00 -0.50 0.00 0.00 54.79 50.90 2dmz n ASP 10 Cb 0.61 -0.85 -0.01 0.00 -1.14 0.00 0.00 41.12 39.73 2dmz n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2dmz n SER 11 N 1.66 1.01 -4.54 -1.12 2.88 -1.26 -4.90 113.62 107.35 2dmz n SER 11 Ca 0.24 0.16 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 2dmz n SER 11 Cb 0.37 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 2dmz n SER 11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmz s SER 12 N -5.20 6.31 -0.05 -3.46 0.01 -1.26 -4.84 113.70 105.21 2dmz s SER 12 Ca -0.13 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 56.94 2dmz s SER 12 Cb 0.02 -2.51 -0.24 0.00 0.21 0.00 0.00 66.02 63.50 2dmz s SER 12 CO 0.19 -1.51 0.66 -0.07 0.41 0.00 0.00 173.24 172.92 2dmz h LEU 13 N 11.92 0.07-10.34 2.44 4.07 -1.97 -3.48 115.31 118.03 2dmz h LEU 13 Ca -0.27 -0.15 -0.44 0.00 0.08 0.00 0.00 57.88 57.10 2dmz h LEU 13 Cb 1.06 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.79 2dmz h LEU 13 CO 1.19 1.14 -0.29 -0.36 -1.08 0.00 0.00 178.44 179.03 2dmz s PHE 14 N -2.60 3.11 -0.03 1.13 0.40 -1.26 0.39 117.98 119.11 2dmz s PHE 14 Ca -0.07 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 2dmz s PHE 14 Cb 0.08 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2dmz s PHE 14 CO 0.82 -0.10 -0.02 -1.83 0.70 0.00 0.00 175.22 174.78 2dmz s GLU 15 N -4.25 0.54 0.12 0.44 -1.05 0.47 -4.79 118.70 110.18 2dmz s GLU 15 Ca 0.46 -0.02 -0.05 0.00 -0.15 0.00 0.00 54.97 55.21 2dmz s GLU 15 Cb -0.10 -0.63 -0.06 0.00 -0.44 0.00 0.00 34.13 32.91 2dmz s GLU 15 CO 0.32 -0.10 0.37 0.99 0.95 0.00 0.00 175.26 177.79 2dmz s THR 16 N 0.90 5.17 -0.08 1.83 2.01 -1.26 -1.58 115.64 122.64 2dmz s THR 16 Ca -0.10 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2dmz s THR 16 Cb -0.14 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.78 2dmz s THR 16 CO -0.01 0.09 0.35 -0.72 -0.69 0.00 0.00 174.62 173.65 2dmz s TYR 17 N -1.60 -0.31 -0.14 4.92 1.13 -0.43 -4.99 117.35 115.94 2dmz s TYR 17 Ca 0.39 0.65 -0.12 0.00 -1.41 0.00 0.00 57.07 56.57 2dmz s TYR 17 Cb -0.12 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2dmz s TYR 17 CO 0.23 -0.30 0.26 -0.80 -2.51 0.00 0.00 175.55 172.43 2dmz s ASN 18 N -0.58 6.44 -0.20 -0.18 0.01 -1.26 -2.70 114.94 116.46 2dmz s ASN 18 Ca -0.07 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 2dmz s ASN 18 Cb -0.04 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.49 2dmz s ASN 18 CO 0.03 0.18 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.94 2dmz s VAL 19 N 0.04 2.10 -0.75 1.60 1.01 0.03 -4.91 120.40 119.53 2dmz s VAL 19 Ca 0.16 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 2dmz s VAL 19 Cb -0.13 -1.98 0.18 0.00 0.00 0.00 0.00 36.38 34.45 2dmz s VAL 19 CO 0.04 0.38 0.74 -0.70 0.00 0.00 0.00 175.10 175.56 2dmz s GLU 20 N 1.24 3.41 0.68 2.72 2.12 -1.25 -0.13 118.70 127.48 2dmz s GLU 20 Ca 0.01 -2.10 -0.11 0.00 0.36 0.00 0.00 54.97 53.13 2dmz s GLU 20 Cb -0.15 -4.44 -0.00 0.00 0.26 0.00 0.00 34.13 29.80 2dmz s GLU 20 CO -0.11 -1.38 1.07 -0.51 -0.54 0.00 0.00 175.26 173.80 2dmz s LEU 21 N 1.03 3.01 0.02 2.70 1.43 -0.12 -4.82 118.68 121.93 2dmz s LEU 21 Ca 0.15 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.59 2dmz s LEU 21 Cb -0.16 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2dmz s LEU 21 CO -0.05 -1.20 -0.24 0.54 0.23 0.00 0.00 176.35 175.63 2dmz s VAL 22 N -3.28 1.94 -0.36 -1.59 0.11 -1.26 -2.53 120.40 113.43 2dmz s VAL 22 Ca 0.57 -1.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2dmz s VAL 22 Cb -0.11 -1.65 0.09 0.00 -1.53 0.00 0.00 36.38 33.18 2dmz s VAL 22 CO 0.53 0.39 0.11 -0.13 -3.33 0.00 0.00 175.10 172.67 2dmz s ARG 23 N -0.98 1.98 1.19 1.54 0.52 -1.22 -4.59 118.95 117.39 2dmz s ARG 23 Ca 0.10 -1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 53.45 2dmz s ARG 23 Cb -0.09 -3.39 0.23 0.00 0.52 0.00 0.00 34.95 32.22 2dmz s ARG 23 CO 0.01 -0.93 0.58 1.63 0.02 0.00 0.00 175.30 176.61 2dmz n LYS 24 N 4.51 -2.45 -1.55 3.54 4.76 -1.26 -4.68 118.16 121.03 2dmz n LYS 24 Ca -0.03 -0.70 -0.13 0.00 -2.87 0.00 0.00 58.31 54.58 2dmz n LYS 24 Cb 0.42 -1.93 -0.10 0.00 -1.84 0.00 0.00 35.03 31.58 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2dmz n ASP 25 N -3.68 1.40 0.00 4.39 5.75 -1.26 -1.95 116.55 121.20 2dmz n ASP 25 Ca 0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2dmz n ASP 25 Cb 0.57 -1.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 2dmz n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dmz n GLY 26 N 6.40 3.08 3.17 6.12 0.00 -1.26 -5.09 105.19 117.61 2dmz n GLY 26 Ca 0.43 -1.08 -0.35 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 -0.18 -4.61 1.61 7.27 -0.82 -5.02 117.38 115.63 2dmz n GLN 27 Ca 0.00 -0.04 -0.28 0.00 0.07 0.00 0.00 57.00 56.75 2dmz n GLN 27 Cb 0.00 -1.36 -0.08 0.00 2.41 0.00 0.00 30.24 31.21 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 -1.43 3.34 0.00 1.69 0.01 -1.26 -4.56 113.70 111.49 2dmz s SER 28 Ca 0.47 -1.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.07 2dmz s SER 28 Cb -0.17 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2dmz s SER 28 CO 0.75 -0.87 0.91 0.25 0.41 0.00 0.00 173.24 174.69 2dmz h LEU 29 N 1.63 -0.07 -2.25 2.44 5.85 -1.95 -2.56 115.31 118.40 2dmz h LEU 29 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2dmz h LEU 29 Cb 1.29 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2dmz h LEU 29 CO 0.65 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.32 2dmz n GLY 30 N -0.66 0.61 2.64 3.75 0.00 -1.26 -2.14 105.19 108.12 2dmz n GLY 30 Ca -0.01 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.93 0.77 0.11 -0.61 1.01 -1.26 -2.65 121.20 115.64 2dmz s ILE 31 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 60.65 58.53 2dmz s ILE 31 Cb 0.00 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 2dmz s ILE 31 CO 0.00 -0.84 1.55 -0.13 0.00 0.00 0.00 174.94 175.52 2dmz s ARG 32 N 1.10 4.23 0.21 2.79 1.81 -0.71 -4.94 118.95 123.44 2dmz s ARG 32 Ca 0.14 2.27 0.06 0.00 -1.72 0.00 0.00 55.73 56.49 2dmz s ARG 32 Cb -0.21 -3.34 -0.04 0.00 -0.45 0.00 0.00 34.95 30.91 2dmz s ARG 32 CO -0.11 -0.61 0.15 0.96 -0.68 0.00 0.00 175.30 175.01 2dmz s ILE 33 N 1.69 4.38 0.05 1.52 -4.36 -1.26 0.72 121.20 123.95 2dmz s ILE 33 Ca 0.70 -1.28 0.06 0.00 -0.26 0.00 0.00 60.65 59.87 2dmz s ILE 33 Cb -0.40 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 2dmz s ILE 33 CO 0.31 -0.22 -0.16 0.54 0.24 0.00 0.00 174.94 175.64 2dmz s VAL 34 N -1.94 1.30 -0.25 8.37 0.11 0.18 -4.52 120.40 123.65 2dmz s VAL 34 Ca 0.32 -1.14 -0.11 0.00 -2.93 0.00 0.00 61.98 58.11 2dmz s VAL 34 Cb -0.09 -1.18 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 2dmz s VAL 34 CO 0.24 0.01 0.19 -0.83 -3.33 0.00 0.00 175.10 171.38 2dmz s GLY 35 N -1.31 1.96 0.01 6.54 0.00 -1.26 -2.60 107.32 110.66 2dmz s GLY 35 Ca 0.03 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.85 2dmz s GLY 35 CO 0.02 0.52 -0.17 -0.19 0.00 0.00 0.00 173.10 173.29 2dmz s TYR 36 N 1.36 1.46 0.00 1.90 1.51 -0.78 -5.00 117.35 117.81 2dmz s TYR 36 Ca 0.08 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2dmz s TYR 36 Cb -0.15 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 2dmz s TYR 36 CO 0.07 0.02 0.00 1.33 -1.11 0.00 0.00 175.55 175.86 2dmz n VAL 37 N 2.29 0.00 -2.78 0.71 0.24 -1.26 -1.85 118.33 115.68 2dmz n VAL 37 Ca -0.16 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 2dmz n VAL 37 Cb 0.54 -0.79 0.02 0.00 -1.47 0.00 0.00 33.84 32.15 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 2.52 0.34 0.24 7.63 0.00 -1.26 -4.65 105.19 110.00 2dmz n GLY 38 Ca 0.00 -0.37 0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.53 -0.31 -4.06 2.61 5.66 -1.26 -4.44 114.28 108.95 2dmz n THR 39 Ca -0.01 1.51 -0.10 0.00 -3.05 0.00 0.00 64.05 62.40 2dmz n THR 39 Cb 0.53 -2.38 -0.02 0.00 -1.55 0.00 0.00 70.33 66.91 2dmz n THR 39 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2dmz n SER 40 N -4.74 2.19 0.00 1.09 3.41 -1.26 -5.05 113.62 109.25 2dmz n SER 40 Ca 0.25 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 2dmz n SER 40 Cb 0.83 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2dmz n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmz n HIS 41 N -0.55 0.00 -3.85 7.33 -0.00 -1.26 -4.66 115.22 112.22 2dmz n HIS 41 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.38 2dmz n HIS 41 Cb 0.20 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.11 2dmz n HIS 41 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2dmz n THR 42 N -1.04 -0.36 -4.07 0.61 -2.24 -1.26 -0.04 114.28 105.88 2dmz n THR 42 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2dmz n THR 42 Cb 0.00 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.02 -0.35 2.86 3.38 0.00 -1.26 -0.31 105.19 108.48 2dmz n GLY 43 Ca 0.06 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.43 -2.60 -2.89 1.61 0.00 0.94 -4.82 120.64 108.45 2dmz n GLU 44 Ca -0.10 0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.76 2dmz n GLU 44 Cb 0.58 -4.67 -0.03 0.00 0.00 0.00 0.00 31.44 27.32 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 -2.33 3.20 -0.01 -1.84 0.00 0.57 -4.99 121.76 116.37 2dmz s ALA 45 Ca 0.15 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2dmz s ALA 45 Cb -0.09 -3.92 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2dmz s ALA 45 CO 0.19 -2.84 0.01 0.45 0.00 0.00 0.00 175.76 173.56 2dmz s SER 46 N 3.70 0.12 0.00 0.00 0.15 -1.26 -4.05 113.70 112.36 2dmz s SER 46 Ca 0.26 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2dmz s SER 46 Cb -0.13 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2dmz s SER 46 CO 0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2dmz n GLY 47 N 3.60 0.34 3.59 9.45 0.00 -0.77 -4.94 105.19 116.46 2dmz n GLY 47 Ca -0.20 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.82 5.20 0.28 -0.61 -1.09 -1.26 -1.87 121.20 119.03 2dmz s ILE 48 Ca 0.00 0.37 0.10 0.00 -2.23 0.00 0.00 60.65 58.88 2dmz s ILE 48 Cb 0.00 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2dmz s ILE 48 CO 0.00 0.12 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.38 2dmz s TYR 49 N 2.00 2.16 -0.37 3.97 1.51 -1.07 -0.70 117.35 124.84 2dmz s TYR 49 Ca 0.13 -0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 2dmz s TYR 49 Cb -0.16 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2dmz s TYR 49 CO 0.11 0.55 1.11 0.08 -1.11 0.00 0.00 175.55 176.28 2dmz s VAL 50 N -2.70 4.38 0.02 0.71 1.01 -0.50 0.47 120.40 123.79 2dmz s VAL 50 Ca 0.29 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 2dmz s VAL 50 Cb -0.01 -4.47 -0.23 0.00 0.00 0.00 0.00 36.38 31.67 2dmz s VAL 50 CO 0.13 -0.67 1.13 0.50 0.00 0.00 0.00 175.10 176.20 2dmz h LYS 51 N 8.55 0.48 -3.08 2.72 1.63 0.07 -3.25 116.57 123.69 2dmz h LYS 51 Ca -0.22 -0.51 -0.02 0.00 -0.85 0.00 0.00 60.65 59.05 2dmz h LYS 51 Cb 1.06 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2dmz h LYS 51 CO 1.07 1.15 0.23 0.45 -3.45 0.00 0.00 179.45 178.90 2dmz s SER 52 N -6.86 0.02 -0.37 4.20 0.15 -1.15 -4.83 113.70 104.85 2dmz s SER 52 Ca -0.12 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2dmz s SER 52 Cb 0.04 0.82 0.13 0.00 -1.71 0.00 0.00 66.02 65.30 2dmz s SER 52 CO 0.84 -1.61 0.19 -0.69 1.20 0.00 0.00 173.24 173.18 2dmz s VAL 53 N -2.63 0.78 0.17 4.45 1.01 -1.26 -1.74 120.40 121.18 2dmz s VAL 53 Ca 0.16 -1.91 -0.33 0.00 0.00 0.00 0.00 61.98 59.90 2dmz s VAL 53 Cb -0.05 -1.57 -0.16 0.00 0.00 0.00 0.00 36.38 34.60 2dmz s VAL 53 CO 0.11 -0.87 1.14 -0.38 0.00 0.00 0.00 175.10 175.10 2dmz n ILE 54 N 4.11 0.95 -1.29 2.22 -0.00 -1.09 -4.86 119.36 119.40 2dmz n ILE 54 Ca 0.06 -0.24 -0.31 0.00 -0.00 0.00 0.00 62.75 62.26 2dmz n ILE 54 Cb 0.37 -0.81 0.09 0.00 -0.00 0.00 0.00 39.64 39.29 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 -0.44 2.29 -1.63 0.38 0.04 -1.26 -3.59 135.00 130.79 2dmz s PRO 55 Ca 0.73 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dmz s PRO 55 Cb -0.86 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2dmz s PRO 55 CO 0.53 -1.62 0.05 0.41 0.04 0.00 0.00 177.00 176.40 2dmz n GLY 56 N -1.14 -0.50 3.67 0.56 0.00 -1.26 -4.97 105.19 101.54 2dmz n GLY 56 Ca 0.09 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.10 4.08 0.18 1.61 1.04 -1.24 -4.83 113.70 112.44 2dmz s SER 57 Ca 0.03 -1.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 2dmz s SER 57 Cb -0.01 -0.40 0.12 0.00 0.10 0.00 0.00 66.02 65.83 2dmz s SER 57 CO 0.03 -0.50 1.80 0.00 0.98 0.00 0.00 173.24 175.55 2dmz h ALA 58 N 1.64 0.65 -0.04 5.32 0.00 -0.99 -1.25 119.26 124.58 2dmz h ALA 58 Ca -0.44 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2dmz h ALA 58 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dmz h ALA 58 CO 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2dmz h ALA 59 N 1.25 0.04 -0.85 0.00 0.00 -1.76 0.21 119.26 118.15 2dmz h ALA 59 Ca 0.22 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2dmz h ALA 59 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2dmz h ALA 59 CO -0.13 -0.48 0.56 -0.92 0.00 0.00 0.00 179.25 178.28 2dmz h TYR 60 N 0.02 0.99 -0.01 0.00 3.20 -1.70 -1.61 116.97 117.86 2dmz h TYR 60 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2dmz h TYR 60 Cb 0.02 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2dmz h TYR 60 CO -0.10 0.54 -0.02 0.45 -1.64 0.00 0.00 178.16 177.38 2dmz h HIS 61 N 0.99 0.05 0.16 -3.82 3.86 -0.77 -3.32 115.15 112.28 2dmz h HIS 61 Ca 0.36 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 2dmz h HIS 61 Cb 0.15 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 2dmz h HIS 61 CO -0.00 0.61 -0.53 -0.97 0.86 0.00 0.00 177.93 177.90 2dmz h ASN 62 N -0.53 -1.58 0.00 2.45 -1.24 -0.26 -3.47 115.58 110.95 2dmz h ASN 62 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2dmz h ASN 62 Cb 0.60 0.58 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2dmz h ASN 62 CO 0.01 -0.57 0.00 0.61 -1.29 0.00 0.00 177.43 176.18 2dmz n GLY 63 N -1.50 0.88 0.00 1.57 0.00 -0.64 -4.95 105.19 100.55 2dmz n GLY 63 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.89 0.00 -3.92 1.61 8.25 -1.26 -5.00 115.22 112.00 2dmz n HIS 64 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2dmz n HIS 64 Cb 0.26 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.88 3.47 0.27 1.59 1.01 -1.26 -5.08 121.20 119.32 2dmz s ILE 65 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2dmz s ILE 65 Cb 0.00 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2dmz s ILE 65 CO 0.00 0.42 0.64 0.00 0.00 0.00 0.00 174.94 175.99 2dmz s GLN 66 N 1.44 1.72 1.00 2.79 0.00 -1.26 -4.73 119.66 120.62 2dmz s GLN 66 Ca 0.05 -1.10 -0.19 0.00 -0.00 0.00 0.00 55.36 54.12 2dmz s GLN 66 Cb -0.14 0.56 -0.16 0.00 0.00 0.00 0.00 33.01 33.27 2dmz s GLN 66 CO -0.02 -0.76 -0.94 1.33 0.00 0.00 0.00 175.29 174.90 2dmz n VAL 67 N -0.44 0.00 -3.29 3.63 0.24 -1.26 -3.37 118.33 113.85 2dmz n VAL 67 Ca -0.03 -0.41 -0.18 0.00 -2.04 0.00 0.00 64.34 61.68 2dmz n VAL 67 Cb 0.60 -0.01 0.06 0.00 -1.47 0.00 0.00 33.84 33.02 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 3.45 -5.25 -3.77 -1.34 3.02 -1.23 -4.91 115.26 105.23 2dmz n ASN 68 Ca -0.02 -0.39 -0.15 0.00 -0.03 0.00 0.00 54.58 54.00 2dmz n ASN 68 Cb 0.60 -3.86 -0.16 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.21 0.03 -0.15 6.41 1.01 -1.22 -4.98 116.67 114.56 2dmz s ASP 69 Ca 0.42 0.10 -0.13 0.00 0.71 0.00 0.00 52.55 53.65 2dmz s ASP 69 Cb -0.19 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 43.68 2dmz s ASP 69 CO 0.53 -0.13 0.28 -0.75 0.21 0.00 0.00 175.17 175.31 2dmz s LYS 70 N 1.07 4.20 -0.22 8.23 2.20 -1.26 -1.40 119.74 132.55 2dmz s LYS 70 Ca -0.09 0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.53 2dmz s LYS 70 Cb -0.12 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2dmz s LYS 70 CO -0.04 0.29 0.08 0.42 -0.36 0.00 0.00 175.35 175.74 2dmz s ILE 71 N 0.31 4.58 -0.14 5.43 1.09 0.12 -2.54 121.20 130.07 2dmz s ILE 71 Ca 0.16 -0.09 0.19 0.00 -1.10 0.00 0.00 60.65 59.82 2dmz s ILE 71 Cb -0.13 -3.12 -0.28 0.00 -1.06 0.00 0.00 42.46 37.87 2dmz s ILE 71 CO 0.04 0.38 0.22 1.33 -0.10 0.00 0.00 174.94 176.81 2dmz n VAL 72 N 4.38 0.86 -3.74 2.92 0.24 -0.05 -4.47 118.33 118.47 2dmz n VAL 72 Ca -0.16 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.28 2dmz n VAL 72 Cb 0.52 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.87 -0.90 -0.10 2.33 0.00 -1.12 -1.81 121.76 117.30 2dmz s ALA 73 Ca -0.09 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 2dmz s ALA 73 Cb 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2dmz s ALA 73 CO 0.85 -0.26 -0.05 0.08 0.00 0.00 0.00 175.76 176.38 2dmz s VAL 74 N -1.05 0.83 -1.50 0.00 1.01 0.30 -0.40 120.40 119.59 2dmz s VAL 74 Ca -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2dmz s VAL 74 Cb -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2dmz s VAL 74 CO 0.04 0.33 0.79 -0.67 0.00 0.00 0.00 175.10 175.59 2dmz n ASP 75 N 5.00 -6.13 -0.29 3.32 2.03 0.29 -1.47 116.55 119.31 2dmz n ASP 75 Ca -0.11 -0.38 -0.03 0.00 0.52 0.00 0.00 54.79 54.79 2dmz n ASP 75 Cb 0.50 -4.91 -0.01 0.00 -0.72 0.00 0.00 41.12 35.97 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmz n GLY 76 N -1.67 0.51 3.11 0.27 0.00 -1.21 -4.85 105.19 101.35 2dmz n GLY 76 Ca -0.07 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 2.04 -0.66 1.61 1.01 -0.54 -5.06 120.40 116.67 2dmz s VAL 77 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2dmz s VAL 77 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2dmz s VAL 77 CO 0.00 0.52 2.02 0.21 0.00 0.00 0.00 175.10 177.85 2dmz s ASN 78 N 1.29 5.00 -0.19 3.32 2.47 -1.26 -0.54 114.94 125.03 2dmz s ASN 78 Ca 0.05 0.26 0.14 0.00 0.42 0.00 0.00 52.86 53.72 2dmz s ASN 78 Cb -0.13 -2.53 0.73 0.00 -1.45 0.00 0.00 41.25 37.86 2dmz s ASN 78 CO -0.13 -2.64 1.61 2.30 -3.72 0.00 0.00 177.10 174.52 2dmz n ILE 79 N 7.59 2.30 0.00 -5.21 -5.35 -0.75 -4.68 119.36 113.26 2dmz n ILE 79 Ca 0.29 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2dmz n ILE 79 Cb 0.51 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.68 0.00 -1.12 6.28 6.02 -1.04 -1.64 117.38 126.56 2dmz n GLN 80 Ca 0.25 0.84 -0.23 0.00 -0.01 0.00 0.00 57.00 57.85 2dmz n GLN 80 Cb 1.04 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.99 4.52 3.90 1.08 0.00 -1.26 -4.81 105.19 107.63 2dmz n GLY 81 Ca 0.00 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.23 3.56 0.38 1.61 0.40 -0.65 -5.10 117.98 115.95 2dmz s PHE 82 Ca 0.43 0.43 -0.16 0.00 -0.60 0.00 0.00 56.93 57.03 2dmz s PHE 82 Cb 0.32 -1.88 -0.09 0.00 0.51 0.00 0.00 43.02 41.88 2dmz s PHE 82 CO -0.06 0.64 0.82 0.00 0.70 0.00 0.00 175.22 177.32 2dmz s ALA 83 N -1.31 3.22 0.07 5.36 0.00 -1.26 -4.82 121.76 123.03 2dmz s ALA 83 Ca 0.27 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2dmz s ALA 83 Cb -0.13 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2dmz s ALA 83 CO 0.17 0.18 0.97 -1.71 0.00 0.00 0.00 175.76 175.37 2dmz n ASN 84 N -0.68 -0.49 -0.16 0.00 2.85 -1.26 0.77 115.26 116.29 2dmz n ASN 84 Ca 0.05 1.08 -0.03 0.00 -0.11 0.00 0.00 54.58 55.56 2dmz n ASN 84 Cb 0.54 -0.24 0.06 0.00 1.24 0.00 0.00 39.78 41.38 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 0.27 -0.79 1.20 2.07 -2.00 -0.24 115.15 115.67 2dmz h HIS 85 Ca 0.07 0.03 0.17 0.00 -2.85 0.00 0.00 60.37 57.79 2dmz h HIS 85 Cb 0.19 -0.05 -0.05 0.00 2.57 0.00 0.00 27.41 30.07 2dmz h HIS 85 CO -0.72 0.07 0.53 -0.44 -3.07 0.00 0.00 177.93 174.31 2dmz h ASP 86 N 0.32 0.37 0.48 3.10 3.32 -0.01 0.06 116.42 124.06 2dmz h ASP 86 Ca 0.24 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 57.07 2dmz h ASP 86 Cb 0.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2dmz h ASP 86 CO -0.26 0.18 -1.08 0.58 -1.72 0.00 0.00 179.24 176.94 2dmz h VAL 87 N 0.39 1.45 0.28 -1.35 2.07 0.10 -3.20 116.25 115.99 2dmz h VAL 87 Ca 0.39 -2.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 2dmz h VAL 87 Cb 0.96 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2dmz h VAL 87 CO -0.13 0.80 -0.23 0.58 0.02 0.00 0.00 177.57 178.62 2dmz h VAL 88 N 0.15 0.51 -0.93 2.57 2.07 0.31 -2.51 116.25 118.42 2dmz h VAL 88 Ca -0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2dmz h VAL 88 Cb 1.75 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 2dmz h VAL 88 CO 0.18 0.00 0.57 1.05 0.02 0.00 0.00 177.57 179.39 2dmz h GLU 89 N -0.52 0.92 -0.88 1.57 4.11 -1.54 -1.30 114.58 116.93 2dmz h GLU 89 Ca -0.02 -0.06 0.13 0.00 0.07 0.00 0.00 59.36 59.49 2dmz h GLU 89 Cb 0.46 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 2dmz h GLU 89 CO -0.02 0.61 0.50 0.28 0.07 0.00 0.00 179.01 180.44 2dmz h VAL 90 N 0.94 0.83 -0.25 -1.06 2.07 -1.45 -0.45 116.25 116.89 2dmz h VAL 90 Ca 0.44 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 2dmz h VAL 90 Cb 0.38 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2dmz h VAL 90 CO -0.24 0.14 0.02 -0.07 0.02 0.00 0.00 177.57 177.44 2dmz h LEU 91 N 0.77 0.41 -0.70 2.57 3.38 -0.91 -2.34 115.31 118.48 2dmz h LEU 91 Ca 0.45 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2dmz h LEU 91 Cb 0.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2dmz h LEU 91 CO -0.30 0.59 0.44 0.03 0.09 0.00 0.00 178.44 179.29 2dmz h ARG 92 N 0.22 0.82 -0.89 1.13 3.08 -0.96 -2.19 114.38 115.59 2dmz h ARG 92 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2dmz h ARG 92 Cb 0.36 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2dmz h ARG 92 CO 0.01 0.55 0.50 -0.91 -1.07 0.00 0.00 179.97 179.04 2dmz h ASN 93 N 0.85 1.10 -3.32 7.04 2.35 -1.01 -3.44 115.58 119.15 2dmz h ASN 93 Ca 0.29 -0.09 -0.56 0.00 -0.55 0.00 0.00 56.30 55.39 2dmz h ASN 93 Cb 0.04 -0.28 0.19 0.00 0.05 0.00 0.00 38.32 38.32 2dmz h ASN 93 CO -0.12 0.87 -0.36 0.00 -1.65 0.00 0.00 177.43 176.18 2dmz n ALA 94 N -2.39 -1.51 -2.55 -0.83 0.00 -0.83 -5.02 120.51 107.38 2dmz n ALA 94 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2dmz n ALA 94 Cb 0.09 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2dmz n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmz n GLY 95 N 1.55 4.19 0.43 0.00 0.00 -1.26 -5.01 105.19 105.09 2dmz n GLY 95 Ca 0.10 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.60 -6.27 1.61 4.15 -1.92 -3.35 115.11 108.72 2dmz h GLN 96 Ca 0.00 0.04 -0.53 0.00 0.77 0.00 0.00 58.65 58.93 2dmz h GLN 96 Cb 0.00 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 2dmz h GLN 96 CO 0.00 -0.40 1.16 0.08 -1.93 0.00 0.00 178.83 177.74 2dmz s VAL 97 N -5.47 3.64 -0.36 2.39 1.01 -1.26 -3.42 120.40 116.93 2dmz s VAL 97 Ca -0.14 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2dmz s VAL 97 Cb 0.06 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2dmz s VAL 97 CO 0.55 -1.27 0.13 -0.69 0.00 0.00 0.00 175.10 173.82 2dmz s VAL 98 N 6.82 3.65 -0.54 2.92 1.01 -1.05 -4.95 120.40 128.26 2dmz s VAL 98 Ca 0.52 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 2dmz s VAL 98 Cb -0.11 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2dmz s VAL 98 CO 0.21 -0.31 0.71 -1.00 0.00 0.00 0.00 175.10 174.71 2dmz s HIS 99 N 1.34 2.97 -0.05 5.22 3.76 -1.24 -0.95 115.29 126.34 2dmz s HIS 99 Ca 0.00 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.22 2dmz s HIS 99 Cb -0.21 -3.76 -0.05 0.00 1.11 0.00 0.00 32.58 29.67 2dmz s HIS 99 CO 0.01 -1.17 0.38 -1.17 -0.85 0.00 0.00 174.74 171.94 2dmz s LEU 100 N 2.93 4.40 -0.39 0.89 1.98 0.81 0.11 118.68 129.42 2dmz s LEU 100 Ca 0.17 0.83 -0.05 0.00 -2.89 0.00 0.00 54.13 52.20 2dmz s LEU 100 Cb -0.19 -2.54 0.08 0.00 0.66 0.00 0.00 46.19 44.21 2dmz s LEU 100 CO 0.12 0.24 0.17 -0.89 -1.89 0.00 0.00 176.35 174.10 2dmz s THR 101 N -0.54 3.55 0.30 3.68 2.01 0.46 -0.79 115.64 124.31 2dmz s THR 101 Ca 0.22 -1.65 0.11 0.00 0.31 0.00 0.00 61.69 60.68 2dmz s THR 101 Cb -0.16 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2dmz s THR 101 CO 0.11 -0.48 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.67 2dmz s LEU 102 N 1.27 2.74 -0.09 4.42 1.02 -1.10 -0.88 118.68 126.07 2dmz s LEU 102 Ca 0.03 -1.01 -0.03 0.00 0.02 0.00 0.00 54.13 53.15 2dmz s LEU 102 Cb -0.22 -1.19 0.04 0.00 0.02 0.00 0.00 46.19 44.84 2dmz s LEU 102 CO -0.01 -0.04 0.06 0.54 0.02 0.00 0.00 176.35 176.91 2dmz s VAL 103 N -2.51 0.04 0.11 -1.59 0.11 -1.05 -1.31 120.40 114.20 2dmz s VAL 103 Ca 0.31 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 2dmz s VAL 103 Cb -0.03 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2dmz s VAL 103 CO 0.16 0.04 0.12 -0.13 -3.33 0.00 0.00 175.10 171.96 2dmz s ARG 104 N 2.10 2.96 -0.09 1.54 0.52 -0.61 -4.39 118.95 120.98 2dmz s ARG 104 Ca 0.04 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.22 2dmz s ARG 104 Cb -0.14 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2dmz s ARG 104 CO -0.05 0.54 1.26 0.50 0.02 0.00 0.00 175.30 177.57 2dmz s ARG 105 N -2.70 4.29 1.33 3.54 3.52 -1.26 -0.40 118.95 127.27 2dmz s ARG 105 Ca 0.31 1.72 -0.19 0.00 -0.13 0.00 0.00 55.73 57.44 2dmz s ARG 105 Cb -0.11 -3.65 0.34 0.00 -1.56 0.00 0.00 34.95 29.96 2dmz s ARG 105 CO 0.23 -0.57 0.97 0.15 -0.81 0.00 0.00 175.30 175.27 2dmz s LYS 106 N 2.77 -2.18 -1.32 5.12 1.02 0.16 -3.31 119.74 122.00 2dmz s LYS 106 Ca 0.57 0.36 -0.16 0.00 0.02 0.00 0.00 55.97 56.77 2dmz s LYS 106 Cb -0.25 -1.45 0.16 0.00 -0.52 0.00 0.00 37.83 35.77 2dmz s LYS 106 CO 0.20 -4.44 0.39 2.41 -0.92 0.00 0.00 175.35 173.00 2dmz n THR 107 N -5.35 -0.06 -3.69 2.17 -1.04 -1.26 -4.87 114.28 100.18 2dmz n THR 107 Ca 0.09 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 2dmz n THR 107 Cb 0.58 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.68 2dmz n THR 107 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dmz s SER 108 N -2.71 4.87 -0.72 8.00 0.15 -1.21 -4.96 113.70 117.11 2dmz s SER 108 Ca 0.55 -0.92 -0.23 0.00 0.70 0.00 0.00 55.95 56.05 2dmz s SER 108 Cb -0.32 -0.27 -0.16 0.00 -1.71 0.00 0.00 66.02 63.57 2dmz s SER 108 CO 0.73 -0.79 1.96 -0.24 1.20 0.00 0.00 173.24 176.10 2dmz n SER 109 N -1.60 0.22 -3.31 5.45 2.88 -1.26 -4.82 113.62 111.19 2dmz n SER 109 Ca 0.02 0.14 -0.16 0.00 -1.33 0.00 0.00 58.87 57.54 2dmz n SER 109 Cb 0.63 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 2dmz n SER 109 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmz s SER 110 N 6.50 1.13 1.05 -3.46 1.04 -1.26 -5.15 113.70 113.55 2dmz s SER 110 Ca 0.99 -1.57 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 2dmz s SER 110 Cb -0.92 0.62 0.16 0.00 0.10 0.00 0.00 66.02 65.97 2dmz s SER 110 CO 0.36 -1.21 0.66 0.35 0.98 0.00 0.00 173.24 174.38 2dmz n THR 111 N -0.57 0.00 -4.02 2.02 -2.24 -1.26 -3.46 114.28 104.75 2dmz n THR 111 Ca 0.03 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 2dmz n THR 111 Cb 0.62 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 2dmz n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dmz n SER 112 N -3.17 -1.95 -2.55 3.42 3.41 -1.26 -4.94 113.62 106.59 2dmz n SER 112 Ca 0.05 -1.15 -0.01 0.00 -0.26 0.00 0.00 58.87 57.51 2dmz n SER 112 Cb 0.55 -2.43 0.01 0.00 -0.26 0.00 0.00 64.21 62.08 2dmz n SER 112 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2dmz n PRO 113 N -4.57 -1.09 0.09 4.33 -0.04 -1.22 -4.96 135.00 127.53 2dmz n PRO 113 Ca -0.22 -0.05 -0.04 0.00 -0.04 0.00 0.00 63.50 63.14 2dmz n PRO 113 Cb 0.64 -0.05 -0.05 0.00 -0.04 0.00 0.00 33.50 34.00 2dmz n PRO 113 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2dmz h LEU 114 N 0.00 0.00 -6.03 1.53 8.10 -1.92 -3.38 115.31 113.61 2dmz h LEU 114 Ca -0.01 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.41 2dmz h LEU 114 Cb 0.04 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.86 2dmz h LEU 114 CO 0.01 0.84 -0.97 -0.62 -4.11 0.00 0.00 178.44 173.59 2dmz n GLU 115 N -3.36 1.24 -1.54 0.17 -0.58 -1.26 -5.12 120.64 110.18 2dmz n GLU 115 Ca 0.00 -3.64 -0.32 0.00 -0.42 0.00 0.00 57.16 52.79 2dmz n GLU 115 Cb 0.85 -1.53 0.07 0.00 -0.57 0.00 0.00 31.44 30.27 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 -1.63 2.57 0.81 3.49 0.04 -1.26 -5.03 135.00 133.99 2dmz s PRO 116 Ca 0.37 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 2dmz s PRO 116 Cb 0.18 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.87 2dmz s PRO 116 CO -0.08 -1.42 1.09 -1.25 0.04 0.00 0.00 177.00 175.38 2dmz s PRO 117 N -4.44 1.99 -0.34 0.56 0.04 -1.26 -4.94 135.00 126.61 2dmz s PRO 117 Ca 0.64 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 2dmz s PRO 117 Cb -0.19 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2dmz s PRO 117 CO 0.48 -1.80 1.64 0.45 0.04 0.00 0.00 177.00 177.81 2dmz s SER 118 N -3.41 6.11 -0.02 6.66 0.15 -1.26 -4.77 113.70 117.16 2dmz s SER 118 Ca 0.62 1.19 0.01 0.00 0.70 0.00 0.00 55.95 58.46 2dmz s SER 118 Cb -0.17 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2dmz s SER 118 CO 0.56 -1.56 -0.01 -0.90 1.20 0.00 0.00 173.24 172.54 2dmz n ASP 119 N 9.54 4.26 -0.08 5.45 5.75 -1.26 -4.85 116.55 135.36 2dmz n ASP 119 Ca 0.20 -0.01 -0.09 0.00 -0.01 0.00 0.00 54.79 54.89 2dmz n ASP 119 Cb 0.47 0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.80 2dmz n ASP 119 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2dmz n ARG 120 N -2.28 0.48 0.00 0.11 3.00 -1.26 -5.03 116.66 111.67 2dmz n ARG 120 Ca -0.03 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 2dmz n ARG 120 Cb 0.55 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2dmz n ARG 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dmz n GLY 121 N 1.56 3.11 1.68 5.14 0.00 -1.26 -4.93 105.19 110.49 2dmz n GLY 121 Ca -0.14 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 2dmz n GLY 121 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dmz n THR 122 N 0.00 2.34 -3.68 2.61 5.66 -1.26 -4.73 114.28 115.22 2dmz n THR 122 Ca 0.00 -0.99 -0.12 0.00 -3.05 0.00 0.00 64.05 59.89 2dmz n THR 122 Cb 0.00 -1.50 -0.12 0.00 -1.55 0.00 0.00 70.33 67.16 2dmz n THR 122 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dmz s VAL 123 N -0.65 -0.34 0.21 1.08 1.01 -1.26 -5.13 120.40 115.31 2dmz s VAL 123 Ca 0.16 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 2dmz s VAL 123 Cb 0.11 -0.50 -0.12 0.00 0.00 0.00 0.00 36.38 35.87 2dmz s VAL 123 CO -0.01 0.09 0.24 -1.54 0.00 0.00 0.00 175.10 173.88 2dmz n SER 124 N 5.01 -1.43 0.00 3.32 3.41 -1.26 -4.84 113.62 117.83 2dmz n SER 124 Ca -0.12 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2dmz n SER 124 Cb 0.51 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2dmz n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmz n GLY 125 N 1.57 -1.09 3.35 5.00 0.00 -1.26 -5.02 105.19 107.74 2dmz n GLY 125 Ca 0.11 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 2dmz n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmz n PRO 126 N 0.00 -3.07 -3.82 1.61 -0.04 -1.26 -5.10 135.00 123.31 2dmz n PRO 126 Ca 0.00 -1.67 -0.08 0.00 -0.04 0.00 0.00 63.50 61.71 2dmz n PRO 126 Cb 0.00 -1.57 0.01 0.00 -0.04 0.00 0.00 33.50 31.90 2dmz n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmz s SER 127 N -4.32 -0.08 -0.56 3.54 0.15 -1.26 -5.09 113.70 106.09 2dmz s SER 127 Ca 0.68 -0.96 -0.34 0.00 0.70 0.00 0.00 55.95 56.03 2dmz s SER 127 Cb -0.07 0.80 -0.14 0.00 -1.71 0.00 0.00 66.02 64.90 2dmz s SER 127 CO 0.52 -1.56 2.35 -0.24 1.20 0.00 0.00 173.24 175.52 2dmz n SER 128 N -1.11 1.53 0.00 5.45 2.88 -1.26 -5.35 113.62 115.76 2dmz n SER 128 Ca -0.07 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2dmz n SER 128 Cb 0.60 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2dmz n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42