#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 4.44 1.00 1.61 0.01 -1.26 -5.10 113.70 114.40 2dmz s SER 2 Ca 0.00 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 2dmz s SER 2 Cb 0.00 -0.79 -0.14 0.00 0.21 0.00 0.00 66.02 65.30 2dmz s SER 2 CO 0.00 0.01 -0.86 -1.54 0.41 0.00 0.00 173.24 171.26 2dmz n SER 3 N -0.78 -5.09 -4.16 2.44 3.41 -1.26 -4.93 113.62 103.24 2dmz n SER 3 Ca -0.07 0.15 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 2dmz n SER 3 Cb 0.59 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.66 2dmz n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmz s GLY 4 N -1.09 1.75 0.08 5.00 0.00 -1.26 -4.57 107.32 107.22 2dmz s GLY 4 Ca 0.41 -1.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.09 2dmz s GLY 4 CO 0.78 0.69 1.14 -0.45 0.00 0.00 0.00 173.10 175.26 2dmz s SER 5 N 1.24 -0.07 -0.08 1.64 0.15 -1.26 -5.02 113.70 110.30 2dmz s SER 5 Ca -0.05 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 2dmz s SER 5 Cb -0.20 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 2dmz s SER 5 CO -0.01 -0.62 1.84 -0.44 1.20 0.00 0.00 173.24 175.21 2dmz s SER 6 N -3.18 6.34 0.00 5.45 0.01 -1.26 -4.50 113.70 116.56 2dmz s SER 6 Ca 0.17 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2dmz s SER 6 Cb 0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dmz s SER 6 CO 0.00 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2dmz n GLY 7 N 4.64 4.06 3.53 3.44 0.00 -1.26 -3.23 105.19 116.37 2dmz n GLY 7 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 2dmz n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmz s GLY 8 N 0.00 -0.39 -1.19 -0.02 0.00 -1.26 -2.30 107.32 102.16 2dmz s GLY 8 Ca 0.00 2.77 -0.23 0.00 0.00 0.00 0.00 44.72 47.27 2dmz s GLY 8 CO 0.00 3.04 1.93 -0.56 0.00 0.00 0.00 173.10 177.51 2dmz s SER 9 N 2.41 5.04 -0.98 1.64 0.01 -1.26 -4.82 113.70 115.74 2dmz s SER 9 Ca -0.05 -1.70 -0.03 0.00 1.31 0.00 0.00 55.95 55.48 2dmz s SER 9 Cb -0.08 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.84 2dmz s SER 9 CO -0.18 -3.08 1.17 -0.90 0.41 0.00 0.00 173.24 170.67 2dmz n ASP 10 N 14.35 5.43 -0.04 2.44 5.68 -1.26 -4.80 116.55 138.36 2dmz n ASP 10 Ca 0.45 -3.31 -0.03 0.00 -0.50 0.00 0.00 54.79 51.40 2dmz n ASP 10 Cb 0.47 -1.15 -0.01 0.00 -1.14 0.00 0.00 41.12 39.29 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 1.64 0.79 -4.52 -1.12 2.88 -1.26 -4.84 113.62 107.19 2dmz n SER 11 Ca 0.26 0.21 -0.42 0.00 -1.33 0.00 0.00 58.87 57.59 2dmz n SER 11 Cb 0.36 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 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 -4.70 6.22 0.05 -3.46 0.01 -1.26 -4.83 113.70 105.74 2dmz s SER 12 Ca -0.10 -0.52 0.16 0.00 1.31 0.00 0.00 55.95 56.79 2dmz s SER 12 Cb 0.01 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.60 2dmz s SER 12 CO 0.16 -1.60 0.83 -0.07 0.41 0.00 0.00 173.24 172.96 2dmz h LEU 13 N 12.14 0.00 -9.88 2.44 4.07 -1.97 -3.47 115.31 118.64 2dmz h LEU 13 Ca -0.28 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.17 2dmz h LEU 13 Cb 1.06 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.75 2dmz h LEU 13 CO 1.22 0.65 -0.53 -0.36 -1.08 0.00 0.00 178.44 178.34 2dmz s PHE 14 N -2.87 3.12 -0.10 1.13 0.40 -1.26 0.14 117.98 118.54 2dmz s PHE 14 Ca -0.03 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 2dmz s PHE 14 Cb 0.09 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.20 2dmz s PHE 14 CO 0.81 0.52 -0.21 -1.83 0.70 0.00 0.00 175.22 175.21 2dmz s GLU 15 N -3.74 2.73 -0.01 0.44 -1.05 0.65 -4.83 118.70 112.90 2dmz s GLU 15 Ca 0.33 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 54.27 2dmz s GLU 15 Cb -0.08 -2.11 -0.05 0.00 -0.44 0.00 0.00 34.13 31.45 2dmz s GLU 15 CO 0.25 0.12 0.33 0.99 0.95 0.00 0.00 175.26 177.89 2dmz s THR 16 N 0.49 5.19 -0.02 1.83 2.01 -1.26 -2.03 115.64 121.85 2dmz s THR 16 Ca -0.16 0.54 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 2dmz s THR 16 Cb -0.17 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.76 2dmz s THR 16 CO 0.06 0.51 0.34 -0.72 -0.69 0.00 0.00 174.62 174.13 2dmz s TYR 17 N -1.15 -0.22 -0.12 4.92 1.13 -0.27 -4.99 117.35 116.64 2dmz s TYR 17 Ca 0.24 0.34 -0.04 0.00 -1.41 0.00 0.00 57.07 56.20 2dmz s TYR 17 Cb -0.15 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 2dmz s TYR 17 CO 0.12 -0.41 0.02 0.54 -2.51 0.00 0.00 175.55 173.31 2dmz s ASN 18 N -1.33 5.36 -0.24 -0.18 2.20 -1.26 -1.41 114.94 118.08 2dmz s ASN 18 Ca -0.13 0.11 0.01 0.00 -0.94 0.00 0.00 52.86 51.91 2dmz s ASN 18 Cb -0.05 -1.70 0.04 0.00 -2.00 0.00 0.00 41.25 37.54 2dmz s ASN 18 CO 0.05 0.29 -0.11 -0.69 -2.94 0.00 0.00 177.10 173.70 2dmz s VAL 19 N -0.37 2.40 -0.93 3.54 1.01 0.37 -4.88 120.40 121.54 2dmz s VAL 19 Ca 0.08 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 2dmz s VAL 19 Cb -0.12 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.08 2dmz s VAL 19 CO 0.02 0.17 1.26 -0.70 0.00 0.00 0.00 175.10 175.85 2dmz s GLU 20 N 1.22 3.53 0.24 2.72 2.12 -1.25 -0.08 118.70 127.19 2dmz s GLU 20 Ca -0.03 -1.30 -0.30 0.00 0.36 0.00 0.00 54.97 53.70 2dmz s GLU 20 Cb -0.17 -5.00 -0.09 0.00 0.26 0.00 0.00 34.13 29.12 2dmz s GLU 20 CO -0.07 -1.99 0.96 -0.51 -0.54 0.00 0.00 175.26 173.11 2dmz s LEU 21 N 4.00 4.63 -0.05 2.70 1.43 0.64 -4.81 118.68 127.23 2dmz s LEU 21 Ca 0.38 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 2dmz s LEU 21 Cb -0.04 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2dmz s LEU 21 CO -0.06 0.12 0.05 0.54 0.23 0.00 0.00 176.35 177.22 2dmz s VAL 22 N -1.14 4.59 -0.40 -1.59 0.11 -1.26 -1.97 120.40 118.74 2dmz s VAL 22 Ca 0.42 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 2dmz s VAL 22 Cb -0.27 -3.02 0.07 0.00 -1.53 0.00 0.00 36.38 31.63 2dmz s VAL 22 CO 0.33 0.49 0.22 -0.13 -3.33 0.00 0.00 175.10 172.67 2dmz s ARG 23 N -1.30 2.60 0.98 1.54 0.52 -1.25 -4.56 118.95 117.47 2dmz s ARG 23 Ca 0.18 -1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 53.88 2dmz s ARG 23 Cb -0.12 -3.70 0.15 0.00 0.52 0.00 0.00 34.95 31.81 2dmz s ARG 23 CO 0.08 -0.87 0.25 1.63 0.02 0.00 0.00 175.30 176.41 2dmz n LYS 24 N 4.89 -2.06 -1.81 3.54 5.02 -1.26 -4.64 118.16 121.83 2dmz n LYS 24 Ca -0.10 -0.61 -0.21 0.00 -2.02 0.00 0.00 58.31 55.37 2dmz n LYS 24 Cb 0.43 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.89 4.53 0.00 4.39 1.01 -1.26 -2.51 116.67 120.94 2dmz s ASP 25 Ca 0.34 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.35 2dmz s ASP 25 Cb -0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2dmz s ASP 25 CO 0.33 -3.28 0.00 0.61 0.21 0.00 0.00 175.17 173.04 2dmz n GLY 26 N 6.78 0.66 3.33 0.21 0.00 -1.26 -5.09 105.19 109.82 2dmz n GLY 26 Ca 0.43 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2dmz n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmz s GLN 27 N -3.17 1.26 0.22 1.61 0.74 -1.04 -5.15 119.66 114.12 2dmz s GLN 27 Ca 0.00 -1.30 0.04 0.00 0.05 0.00 0.00 55.36 54.15 2dmz s GLN 27 Cb 0.00 -1.53 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 2dmz s GLN 27 CO 0.00 0.34 0.35 -1.12 -0.55 0.00 0.00 175.29 174.31 2dmz s SER 28 N -2.20 6.33 0.02 6.67 0.01 -1.26 -4.65 113.70 118.62 2dmz s SER 28 Ca 0.12 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.45 2dmz s SER 28 Cb -0.09 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 2dmz s SER 28 CO 0.06 -0.04 1.11 0.25 0.41 0.00 0.00 173.24 175.02 2dmz h LEU 29 N 1.49 -0.31 -0.79 2.44 5.85 -1.95 -3.24 115.31 118.80 2dmz h LEU 29 Ca -0.51 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2dmz h LEU 29 Cb 1.22 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2dmz h LEU 29 CO 0.64 -0.10 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 2dmz n GLY 30 N -1.09 0.52 2.75 3.75 0.00 -1.26 -2.36 105.19 107.49 2dmz n GLY 30 Ca -0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.87 0.43 -0.02 -0.61 1.01 -1.26 -2.60 121.20 116.27 2dmz s ILE 31 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 2dmz s ILE 31 Cb 0.00 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 2dmz s ILE 31 CO 0.00 0.00 0.53 -0.13 0.00 0.00 0.00 174.94 175.35 2dmz s ARG 32 N 1.92 4.23 0.32 2.79 1.81 -0.58 -5.00 118.95 124.44 2dmz s ARG 32 Ca 0.02 0.62 0.09 0.00 -1.72 0.00 0.00 55.73 54.73 2dmz s ARG 32 Cb -0.15 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 2dmz s ARG 32 CO -0.07 0.42 0.10 0.96 -0.68 0.00 0.00 175.30 176.04 2dmz s ILE 33 N -0.32 3.14 -0.09 1.52 -4.36 -1.26 0.05 121.20 119.88 2dmz s ILE 33 Ca 0.28 -1.75 -0.10 0.00 -0.26 0.00 0.00 60.65 58.82 2dmz s ILE 33 Cb -0.17 -2.95 0.03 0.00 1.25 0.00 0.00 42.46 40.61 2dmz s ILE 33 CO 0.15 -0.23 0.27 0.54 0.24 0.00 0.00 174.94 175.91 2dmz s VAL 34 N -2.40 0.01 -0.57 8.37 0.11 -0.00 -4.58 120.40 121.34 2dmz s VAL 34 Ca 0.36 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 59.15 2dmz s VAL 34 Cb -0.03 -0.40 0.07 0.00 -1.53 0.00 0.00 36.38 34.49 2dmz s VAL 34 CO 0.22 -0.03 0.77 -0.83 -3.33 0.00 0.00 175.10 171.90 2dmz s GLY 35 N -0.00 1.62 0.53 6.54 0.00 -1.26 -2.08 107.32 112.66 2dmz s GLY 35 Ca -0.01 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 42.75 2dmz s GLY 35 CO 0.01 1.73 0.99 -0.19 0.00 0.00 0.00 173.10 175.63 2dmz s TYR 36 N 3.18 3.46 0.00 1.90 1.51 -0.14 -4.95 117.35 122.30 2dmz s TYR 36 Ca 0.18 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 2dmz s TYR 36 Cb -0.19 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 2dmz s TYR 36 CO 0.11 -0.41 0.00 0.28 -1.11 0.00 0.00 175.55 174.42 2dmz n VAL 37 N -1.70 0.00 -1.06 0.71 0.31 -1.25 -3.45 118.33 111.89 2dmz n VAL 37 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2dmz n VAL 37 Cb 0.54 0.07 -0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 1.98 -3.65 3.55 2.92 0.00 -0.34 -4.61 105.19 105.04 2dmz n GLY 38 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 2dmz n GLY 38 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dmz s THR 39 N -4.94 0.00 0.25 2.61 -1.32 -1.26 -4.81 115.64 106.17 2dmz s THR 39 Ca 0.00 -0.10 0.10 0.00 -1.21 0.00 0.00 61.69 60.47 2dmz s THR 39 Cb 0.00 -1.17 0.28 0.00 -1.51 0.00 0.00 72.50 70.09 2dmz s THR 39 CO 0.00 0.00 1.15 -1.20 -2.21 0.00 0.00 174.62 172.36 2dmz n SER 40 N -0.27 0.12 -0.09 8.08 7.64 -1.26 -0.82 113.62 127.02 2dmz n SER 40 Ca -0.08 1.22 -0.02 0.00 1.01 0.00 0.00 58.87 61.00 2dmz n SER 40 Cb 0.61 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 2dmz n SER 40 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2dmz n HIS 41 N -4.79 -0.09 -1.38 1.43 -0.00 -1.26 -0.74 115.22 108.39 2dmz n HIS 41 Ca 0.23 0.26 -0.34 0.00 -0.00 0.00 0.00 57.72 57.87 2dmz n HIS 41 Cb 0.79 -0.48 0.08 0.00 -0.00 0.00 0.00 29.99 30.37 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 -3.42 3.57 0.00 3.57 -2.24 -0.00 -4.97 114.28 110.79 2dmz n THR 42 Ca 0.00 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.77 2dmz n THR 42 Cb 0.05 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 -0.90 0.64 3.56 3.38 0.00 0.08 -4.44 105.19 107.50 2dmz n GLY 43 Ca 0.62 0.42 -0.00 0.00 0.00 0.00 0.00 46.02 47.06 2dmz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmz s GLU 44 N 0.00 0.28 -0.30 1.61 2.12 -1.26 -3.98 118.70 117.17 2dmz s GLU 44 Ca 0.00 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2dmz s GLU 44 Cb 0.00 0.15 0.19 0.00 0.26 0.00 0.00 34.13 34.72 2dmz s GLU 44 CO 0.00 -0.07 0.76 0.00 -0.54 0.00 0.00 175.26 175.42 2dmz s ALA 45 N 1.58 -2.76 0.04 6.30 0.00 -1.26 -4.95 121.76 120.71 2dmz s ALA 45 Ca -0.07 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.53 2dmz s ALA 45 Cb -0.04 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2dmz s ALA 45 CO -0.15 -1.49 -0.16 -1.54 0.00 0.00 0.00 175.76 172.42 2dmz s SER 46 N 2.89 1.87 0.00 0.00 1.04 -1.26 -1.20 113.70 117.04 2dmz s SER 46 Ca 0.13 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2dmz s SER 46 Cb -0.12 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2dmz s SER 46 CO -0.19 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2dmz n GLY 47 N 1.97 0.89 3.69 7.32 0.00 -1.22 -4.97 105.19 112.87 2dmz n GLY 47 Ca -0.17 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.09 5.27 0.15 -0.61 -1.09 -1.26 -0.97 121.20 120.60 2dmz s ILE 48 Ca 0.00 0.54 0.07 0.00 -2.23 0.00 0.00 60.65 59.02 2dmz s ILE 48 Cb 0.00 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2dmz s ILE 48 CO 0.00 0.32 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.57 2dmz s TYR 49 N 0.96 1.52 -0.37 3.97 1.51 -0.89 -0.37 117.35 123.68 2dmz s TYR 49 Ca 0.16 -0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 2dmz s TYR 49 Cb -0.14 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2dmz s TYR 49 CO 0.06 0.21 1.42 0.08 -1.11 0.00 0.00 175.55 176.20 2dmz s VAL 50 N -2.35 3.92 0.08 0.71 1.01 -0.90 -0.82 120.40 122.05 2dmz s VAL 50 Ca 0.13 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 2dmz s VAL 50 Cb -0.04 -4.14 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2dmz s VAL 50 CO 0.04 -0.66 1.26 0.50 0.00 0.00 0.00 175.10 176.24 2dmz h LYS 51 N 10.50 0.72 -2.56 2.72 1.63 -0.63 -3.25 116.57 125.71 2dmz h LYS 51 Ca -0.28 -0.63 0.14 0.00 -0.85 0.00 0.00 60.65 59.03 2dmz h LYS 51 Cb 1.11 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.82 2dmz h LYS 51 CO 1.07 1.24 0.40 -1.12 -3.45 0.00 0.00 179.45 177.59 2dmz s SER 52 N -7.07 -0.20 -0.26 4.20 0.01 -1.23 -4.92 113.70 104.23 2dmz s SER 52 Ca -0.11 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 2dmz s SER 52 Cb 0.08 0.57 0.08 0.00 0.21 0.00 0.00 66.02 66.96 2dmz s SER 52 CO 0.89 -1.06 0.06 -0.69 0.41 0.00 0.00 173.24 172.86 2dmz s VAL 53 N -3.48 0.83 0.13 3.43 1.01 -1.26 -1.53 120.40 119.52 2dmz s VAL 53 Ca 0.12 -1.09 -0.35 0.00 0.00 0.00 0.00 61.98 60.66 2dmz s VAL 53 Cb -0.03 -1.47 -0.15 0.00 0.00 0.00 0.00 36.38 34.73 2dmz s VAL 53 CO 0.04 -0.45 1.48 -0.38 0.00 0.00 0.00 175.10 175.79 2dmz n ILE 54 N 4.90 0.01 -1.71 2.22 -0.00 -1.07 -4.92 119.36 118.78 2dmz n ILE 54 Ca -0.06 -0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.37 2dmz n ILE 54 Cb 0.44 -1.24 0.05 0.00 -0.00 0.00 0.00 39.64 38.89 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 0.76 2.75 -1.77 0.38 0.04 -1.26 -3.48 135.00 132.43 2dmz s PRO 55 Ca 0.81 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2dmz s PRO 55 Cb -0.80 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2dmz s PRO 55 CO 0.42 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2dmz n GLY 56 N -0.59 -0.47 3.83 0.56 0.00 -1.26 -4.98 105.19 102.28 2dmz n GLY 56 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 4.35 0.07 1.61 1.04 -1.23 -4.96 113.70 112.52 2dmz s SER 57 Ca 0.00 -1.53 -0.26 0.00 0.48 0.00 0.00 55.95 54.64 2dmz s SER 57 Cb 0.00 0.59 -0.17 0.00 0.10 0.00 0.00 66.02 66.54 2dmz s SER 57 CO 0.00 -1.01 1.61 0.00 0.98 0.00 0.00 173.24 174.82 2dmz h ALA 58 N 1.06 -0.32 -0.66 5.32 0.00 -1.52 0.13 119.26 123.28 2dmz h ALA 58 Ca -0.41 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.46 2dmz h ALA 58 Cb 1.32 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2dmz h ALA 58 CO 0.67 -0.64 0.36 0.00 0.00 0.00 0.00 179.25 179.64 2dmz h ALA 59 N 0.35 0.88 0.03 0.00 0.00 -1.74 -1.51 119.26 117.27 2dmz h ALA 59 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dmz h ALA 59 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dmz h ALA 59 CO 0.05 0.04 -0.01 -0.92 0.00 0.00 0.00 179.25 178.41 2dmz h TYR 60 N 0.67 -0.04 -0.43 0.00 5.03 -1.73 -2.84 116.97 117.64 2dmz h TYR 60 Ca 0.29 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.69 2dmz h TYR 60 Cb 0.18 0.01 -0.09 0.00 1.55 0.00 0.00 36.73 38.39 2dmz h TYR 60 CO -0.08 0.23 -0.14 0.45 -1.32 0.00 0.00 178.16 177.30 2dmz h HIS 61 N -0.30 -0.31 0.15 -3.82 3.86 -0.44 -2.65 115.15 111.63 2dmz h HIS 61 Ca -0.00 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2dmz h HIS 61 Cb 0.28 0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2dmz h HIS 61 CO 0.01 -0.22 -0.44 -0.97 0.86 0.00 0.00 177.93 177.17 2dmz h ASN 62 N -0.04 -1.32 0.00 2.45 -1.24 -1.25 -3.47 115.58 110.71 2dmz h ASN 62 Ca 0.21 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2dmz h ASN 62 Cb 0.36 0.48 0.00 0.00 0.73 0.00 0.00 38.32 39.89 2dmz h ASN 62 CO -0.47 -0.48 0.00 0.61 -1.29 0.00 0.00 177.43 175.80 2dmz n GLY 63 N -1.42 1.17 0.03 1.57 0.00 -1.00 -4.98 105.19 100.56 2dmz n GLY 63 Ca -0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.21 0.00 -3.54 1.61 8.25 -1.26 -4.98 115.22 113.10 2dmz n HIS 64 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2dmz n HIS 64 Cb 0.12 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.13 5.28 0.27 1.59 1.01 -1.26 -5.07 121.20 120.89 2dmz s ILE 65 Ca -0.06 0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2dmz s ILE 65 Cb 0.02 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2dmz s ILE 65 CO 0.19 0.26 0.17 -1.10 0.00 0.00 0.00 174.94 174.46 2dmz s GLN 66 N 1.56 1.49 1.22 2.79 1.11 -1.26 -4.76 119.66 121.80 2dmz s GLN 66 Ca 0.11 -1.83 -0.16 0.00 0.01 0.00 0.00 55.36 53.49 2dmz s GLN 66 Cb -0.15 0.13 0.30 0.00 -1.01 0.00 0.00 33.01 32.27 2dmz s GLN 66 CO 0.08 -0.47 1.02 0.14 0.01 0.00 0.00 175.29 176.07 2dmz s VAL 67 N -3.77 1.78 -1.19 1.09 -7.23 -1.26 -4.01 120.40 105.80 2dmz s VAL 67 Ca 0.38 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.48 2dmz s VAL 67 Cb 0.05 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.84 2dmz s VAL 67 CO 0.18 0.00 1.04 0.59 -0.31 0.00 0.00 175.10 176.59 2dmz n ASN 68 N -5.01 -5.40 -4.32 4.85 3.02 -1.23 -4.97 115.26 102.20 2dmz n ASN 68 Ca 0.06 -0.49 -0.17 0.00 -0.03 0.00 0.00 54.58 53.95 2dmz n ASN 68 Cb 0.57 -4.55 -0.10 0.00 -0.61 0.00 0.00 39.78 35.08 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 -3.41 1.94 -0.13 6.41 1.01 -1.26 -4.99 116.67 116.24 2dmz s ASP 69 Ca 0.45 -1.15 0.01 0.00 0.71 0.00 0.00 52.55 52.57 2dmz s ASP 69 Cb -0.20 -0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.73 2dmz s ASP 69 CO 0.65 -0.43 -0.16 -0.75 0.21 0.00 0.00 175.17 174.69 2dmz s LYS 70 N -3.81 2.32 -0.03 8.23 2.36 -1.26 -2.13 119.74 125.43 2dmz s LYS 70 Ca 0.25 -0.59 -0.22 0.00 -2.55 0.00 0.00 55.97 52.86 2dmz s LYS 70 Cb 0.04 -2.02 -0.05 0.00 -1.05 0.00 0.00 37.83 34.76 2dmz s LYS 70 CO 0.07 -0.12 0.64 0.42 1.55 0.00 0.00 175.35 177.91 2dmz s ILE 71 N 1.15 4.96 -0.02 5.43 1.09 0.50 -2.24 121.20 132.07 2dmz s ILE 71 Ca -0.03 1.34 0.04 0.00 -1.10 0.00 0.00 60.65 60.90 2dmz s ILE 71 Cb -0.14 -3.98 -0.06 0.00 -1.06 0.00 0.00 42.46 37.22 2dmz s ILE 71 CO -0.05 0.35 0.06 1.33 -0.10 0.00 0.00 174.94 176.52 2dmz n VAL 72 N 3.18 0.11 -3.66 2.92 0.24 -0.62 -4.43 118.33 116.07 2dmz n VAL 72 Ca -0.04 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 2dmz n VAL 72 Cb 0.51 -0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.20 -1.30 -0.12 2.33 0.00 -1.21 -2.23 121.76 117.03 2dmz s ALA 73 Ca -0.02 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 2dmz s ALA 73 Cb 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2dmz s ALA 73 CO 0.17 -0.29 -0.07 0.08 0.00 0.00 0.00 175.76 175.65 2dmz s VAL 74 N -0.56 0.99 -1.75 0.00 1.01 0.07 0.19 120.40 120.35 2dmz s VAL 74 Ca -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2dmz s VAL 74 Cb -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2dmz s VAL 74 CO 0.04 0.32 0.05 0.47 0.00 0.00 0.00 175.10 175.98 2dmz n ASP 75 N 4.95 -5.90 0.00 3.32 8.00 0.13 -1.36 116.55 125.69 2dmz n ASP 75 Ca -0.12 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2dmz n ASP 75 Cb 0.50 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmz n GLY 76 N -1.06 0.51 3.10 0.44 0.00 -1.25 -4.87 105.19 102.05 2dmz n GLY 76 Ca -0.23 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 2.25 -0.79 1.61 1.01 -0.47 -5.05 120.40 116.97 2dmz s VAL 77 Ca 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 2dmz s VAL 77 Cb 0.00 -2.22 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 2dmz s VAL 77 CO 0.00 0.12 2.31 0.21 0.00 0.00 0.00 175.10 177.74 2dmz s ASN 78 N 1.17 4.17 -0.02 3.32 3.84 -1.26 -0.75 114.94 125.42 2dmz s ASN 78 Ca -0.05 -0.02 0.04 0.00 0.21 0.00 0.00 52.86 53.05 2dmz s ASN 78 Cb -0.18 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.13 2dmz s ASN 78 CO -0.07 -3.59 1.00 2.30 -2.79 0.00 0.00 177.10 173.95 2dmz n ILE 79 N 8.55 0.36 -1.54 -5.21 -5.35 -0.95 -4.85 119.36 110.37 2dmz n ILE 79 Ca 0.44 -0.25 -0.30 0.00 -0.27 0.00 0.00 62.75 62.38 2dmz n ILE 79 Cb 0.45 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.03 0.68 0.00 6.28 6.02 -1.15 0.19 117.38 129.43 2dmz n GLN 80 Ca 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2dmz n GLN 80 Cb 0.25 -3.04 0.00 0.00 1.02 0.00 0.00 30.24 28.47 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 6.26 2.30 3.59 1.08 0.00 -1.26 -5.07 105.19 112.08 2dmz n GLY 81 Ca 0.46 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.45 1.45 -1.87 1.61 3.01 0.13 -4.89 117.46 116.44 2dmz n PHE 82 Ca 0.00 0.64 -0.36 0.00 1.01 0.00 0.00 57.45 58.74 2dmz n PHE 82 Cb 0.00 -2.32 0.05 0.00 -0.01 0.00 0.00 39.48 37.20 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 2.45 0.20 4.37 0.00 -1.26 -4.62 121.76 123.06 2dmz s ALA 83 Ca 0.78 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 2dmz s ALA 83 Cb -0.89 -3.50 0.17 0.00 0.00 0.00 0.00 23.12 18.90 2dmz s ALA 83 CO 0.49 -1.39 1.40 0.09 0.00 0.00 0.00 175.76 176.35 2dmz n ASN 84 N -1.77 -0.65 -0.21 0.00 4.13 -1.26 0.82 115.26 116.33 2dmz n ASN 84 Ca 0.15 1.58 -0.09 0.00 1.68 0.00 0.00 54.58 57.90 2dmz n ASN 84 Cb 0.49 -0.34 0.02 0.00 -1.54 0.00 0.00 39.78 38.42 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 1.15 -0.60 3.10 2.07 -2.00 -2.41 115.15 116.47 2dmz h HIS 85 Ca 0.29 -0.20 0.09 0.00 -2.85 0.00 0.00 60.37 57.70 2dmz h HIS 85 Cb 0.51 -0.30 -0.04 0.00 2.57 0.00 0.00 27.41 30.15 2dmz h HIS 85 CO -0.81 1.02 0.40 -0.44 -3.07 0.00 0.00 177.93 175.03 2dmz h ASP 86 N 0.96 0.38 0.32 3.10 3.32 0.09 -1.40 116.42 123.19 2dmz h ASP 86 Ca 0.17 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.96 2dmz h ASP 86 Cb 0.56 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.05 2dmz h ASP 86 CO 0.03 0.23 -1.12 0.58 -1.72 0.00 0.00 179.24 177.24 2dmz h VAL 87 N 0.42 1.38 -0.29 -1.35 2.07 -0.34 -3.28 116.25 114.86 2dmz h VAL 87 Ca 0.27 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 65.27 2dmz h VAL 87 Cb 0.52 2.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 2dmz h VAL 87 CO -0.08 0.77 -0.10 0.58 0.02 0.00 0.00 177.57 178.76 2dmz h VAL 88 N 0.22 0.64 -0.71 2.57 2.07 -0.77 -1.67 116.25 118.60 2dmz h VAL 88 Ca -0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2dmz h VAL 88 Cb 1.79 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 2dmz h VAL 88 CO 0.20 0.00 0.37 1.05 0.02 0.00 0.00 177.57 179.21 2dmz h GLU 89 N -0.05 0.62 -0.57 1.57 4.11 -1.59 -0.39 114.58 118.29 2dmz h GLU 89 Ca 0.15 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.60 2dmz h GLU 89 Cb 0.27 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2dmz h GLU 89 CO -0.33 0.41 0.38 0.28 0.07 0.00 0.00 179.01 179.82 2dmz h VAL 90 N 0.64 0.98 -0.14 -1.06 2.07 -1.38 0.18 116.25 117.53 2dmz h VAL 90 Ca 0.35 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.57 2dmz h VAL 90 Cb 0.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dmz h VAL 90 CO -0.25 0.10 -0.36 -0.07 0.02 0.00 0.00 177.57 177.01 2dmz h LEU 91 N 0.53 0.56 -0.36 2.57 3.38 -0.52 -2.27 115.31 119.19 2dmz h LEU 91 Ca 0.25 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2dmz h LEU 91 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2dmz h LEU 91 CO -0.07 1.04 -0.05 0.08 0.09 0.00 0.00 178.44 179.53 2dmz h ARG 92 N 0.11 0.67 0.00 1.13 0.11 -0.67 -2.65 114.38 113.08 2dmz h ARG 92 Ca -0.00 -0.24 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 2dmz h ARG 92 Cb 0.97 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.00 2dmz h ARG 92 CO 0.08 0.81 -0.04 -0.91 0.10 0.00 0.00 179.97 180.01 2dmz h ASN 93 N 0.48 0.00 -4.07 0.08 2.35 -0.73 -3.44 115.58 110.25 2dmz h ASN 93 Ca 0.10 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.31 2dmz h ASN 93 Cb 0.54 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.03 2dmz h ASN 93 CO 0.03 0.04 0.52 0.00 -1.65 0.00 0.00 177.43 176.37 2dmz s ALA 94 N -3.88 2.64 0.04 -0.83 0.00 -0.85 -5.04 121.76 113.84 2dmz s ALA 94 Ca -0.01 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2dmz s ALA 94 Cb 0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2dmz s ALA 94 CO 0.52 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2dmz n GLY 95 N 0.64 1.79 0.34 0.00 0.00 -1.26 -5.01 105.19 101.69 2dmz n GLY 95 Ca 0.12 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.50 -5.95 1.61 4.15 -1.93 -3.34 115.11 109.14 2dmz h GLN 96 Ca 0.00 0.03 -0.46 0.00 0.77 0.00 0.00 58.65 58.99 2dmz h GLN 96 Cb 0.00 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2dmz h GLN 96 CO 0.00 -0.33 1.20 0.08 -1.93 0.00 0.00 178.83 177.84 2dmz s VAL 97 N -4.92 3.42 -0.40 2.39 1.01 -1.26 -3.86 120.40 116.79 2dmz s VAL 97 Ca -0.11 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 2dmz s VAL 97 Cb 0.04 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.43 2dmz s VAL 97 CO 0.42 -1.03 0.22 -0.69 0.00 0.00 0.00 175.10 174.03 2dmz s VAL 98 N 8.91 4.06 -0.81 2.92 1.01 -0.83 -4.93 120.40 130.73 2dmz s VAL 98 Ca 0.65 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2dmz s VAL 98 Cb -0.11 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.90 2dmz s VAL 98 CO 0.15 -0.45 1.09 -1.00 0.00 0.00 0.00 175.10 174.89 2dmz s HIS 99 N 1.40 2.84 -0.28 5.22 3.76 -1.24 -0.26 115.29 126.72 2dmz s HIS 99 Ca 0.02 -0.92 -0.26 0.00 -0.15 0.00 0.00 55.06 53.75 2dmz s HIS 99 Cb -0.22 -4.34 0.00 0.00 1.11 0.00 0.00 32.58 29.13 2dmz s HIS 99 CO 0.02 -1.62 0.91 -1.17 -0.85 0.00 0.00 174.74 172.02 2dmz s LEU 100 N 3.62 4.05 -0.29 0.89 1.98 0.89 0.18 118.68 129.99 2dmz s LEU 100 Ca 0.29 0.97 -0.17 0.00 -2.89 0.00 0.00 54.13 52.33 2dmz s LEU 100 Cb -0.10 -3.29 -0.02 0.00 0.66 0.00 0.00 46.19 43.44 2dmz s LEU 100 CO -0.00 -0.66 0.45 -0.89 -1.89 0.00 0.00 176.35 173.36 2dmz s THR 101 N 3.12 5.10 0.13 3.68 2.01 0.13 -0.48 115.64 129.34 2dmz s THR 101 Ca 0.38 0.57 0.07 0.00 0.31 0.00 0.00 61.69 63.02 2dmz s THR 101 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2dmz s THR 101 CO 0.11 0.02 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.13 2dmz s LEU 102 N 2.23 2.38 -0.25 4.42 1.02 -0.50 -1.59 118.68 126.39 2dmz s LEU 102 Ca 0.18 -0.78 -0.01 0.00 0.02 0.00 0.00 54.13 53.54 2dmz s LEU 102 Cb -0.16 -0.72 0.07 0.00 0.02 0.00 0.00 46.19 45.41 2dmz s LEU 102 CO 0.11 -0.06 0.02 0.54 0.02 0.00 0.00 176.35 176.98 2dmz s VAL 103 N -1.82 1.07 0.16 -1.59 0.11 -0.95 -1.11 120.40 116.27 2dmz s VAL 103 Ca 0.10 -1.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2dmz s VAL 103 Cb -0.07 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2dmz s VAL 103 CO 0.04 -0.32 0.30 -0.13 -3.33 0.00 0.00 175.10 171.66 2dmz s ARG 104 N 1.58 3.44 0.01 1.54 0.52 -0.86 -4.39 118.95 120.78 2dmz s ARG 104 Ca 0.01 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2dmz s ARG 104 Cb -0.18 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 2dmz s ARG 104 CO -0.12 0.50 1.22 0.50 0.02 0.00 0.00 175.30 177.42 2dmz s ARG 105 N -3.37 4.38 0.03 3.54 3.52 -1.26 -0.25 118.95 125.55 2dmz s ARG 105 Ca 0.34 1.75 -0.25 0.00 -0.13 0.00 0.00 55.73 57.44 2dmz s ARG 105 Cb -0.11 -3.46 -0.17 0.00 -1.56 0.00 0.00 34.95 29.65 2dmz s ARG 105 CO 0.29 -0.37 1.44 0.87 -0.81 0.00 0.00 175.30 176.72 2dmz h LYS 106 N 7.18 -0.18 -6.11 5.12 1.57 -0.62 -3.44 116.57 120.08 2dmz h LYS 106 Ca -0.38 0.01 -0.73 0.00 -1.87 0.00 0.00 60.65 57.68 2dmz h LYS 106 Cb 1.19 0.04 0.06 0.00 0.08 0.00 0.00 32.23 33.60 2dmz h LYS 106 CO 0.85 0.08 0.14 2.41 -0.57 0.00 0.00 179.45 182.36 2dmz n THR 107 N -5.06 0.26 -1.44 -0.16 -1.04 -1.26 -4.81 114.28 100.78 2dmz n THR 107 Ca -0.09 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 2dmz n THR 107 Cb 0.19 -0.31 0.02 0.00 -1.82 0.00 0.00 70.33 68.41 2dmz n THR 107 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dmz n SER 108 N 1.87 -1.20 -4.69 8.00 3.41 -1.26 -4.86 113.62 114.90 2dmz n SER 108 Ca 0.19 0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 59.18 2dmz n SER 108 Cb 0.14 -1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 2dmz n SER 108 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmz s SER 109 N -1.05 6.97 -0.80 4.04 0.15 -1.26 -4.92 113.70 116.84 2dmz s SER 109 Ca 0.65 1.90 -0.25 0.00 0.70 0.00 0.00 55.95 58.95 2dmz s SER 109 Cb -0.52 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.17 2dmz s SER 109 CO 0.57 -0.64 2.08 -0.94 1.20 0.00 0.00 173.24 175.50 2dmz s SER 110 N 1.67 4.81 -0.26 5.45 1.04 -1.26 -4.86 113.70 120.29 2dmz s SER 110 Ca 0.58 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 2dmz s SER 110 Cb -0.27 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.38 2dmz s SER 110 CO 0.23 -2.96 0.67 -0.89 0.98 0.00 0.00 173.24 171.26 2dmz s THR 111 N 11.19 -0.00 -0.94 2.02 2.01 -1.26 -5.10 115.64 123.56 2dmz s THR 111 Ca 0.77 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 2dmz s THR 111 Cb -0.10 -0.95 0.25 0.00 0.01 0.00 0.00 72.50 71.70 2dmz s THR 111 CO 0.07 0.00 0.94 -1.20 -0.69 0.00 0.00 174.62 173.74 2dmz n SER 112 N 3.78 4.70 -2.86 3.53 7.64 -1.26 -5.00 113.62 124.15 2dmz n SER 112 Ca -0.18 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2dmz n SER 112 Cb 0.57 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2dmz n SER 112 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2dmz n PRO 113 N 2.07 -0.31 0.13 1.43 -0.04 -1.26 -4.98 135.00 132.04 2dmz n PRO 113 Ca 0.24 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 2dmz n PRO 113 Cb 0.37 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.68 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 0.64 -6.10 1.53 8.10 -2.06 -3.38 115.31 114.03 2dmz h LEU 114 Ca 0.00 -0.68 -0.58 0.00 0.11 0.00 0.00 57.88 56.72 2dmz h LEU 114 Cb 0.00 -0.21 -0.41 0.00 -0.44 0.00 0.00 40.66 39.60 2dmz h LEU 114 CO 0.00 1.53 -0.79 1.21 -4.11 0.00 0.00 178.44 176.28 2dmz n GLU 115 N -3.62 1.84 -2.26 0.17 2.13 -1.26 -5.11 120.64 112.53 2dmz n GLU 115 Ca -0.13 -4.12 -0.35 0.00 0.66 0.00 0.00 57.16 53.22 2dmz n GLU 115 Cb 1.07 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.92 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2dmz s PRO 116 N -2.01 3.39 0.32 5.31 0.04 -1.26 -5.05 135.00 135.75 2dmz s PRO 116 Ca 0.38 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 2dmz s PRO 116 Cb 0.16 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 32.74 2dmz s PRO 116 CO -0.05 -0.82 0.29 -0.35 0.04 0.00 0.00 177.00 176.11 2dmz n PRO 117 N -1.23 -1.58 -2.77 0.56 -0.04 -1.26 -4.95 135.00 123.73 2dmz n PRO 117 Ca 0.11 -0.46 -0.43 0.00 -0.04 0.00 0.00 63.50 62.68 2dmz n PRO 117 Cb 0.51 -0.43 -0.04 0.00 -0.04 0.00 0.00 33.50 33.50 2dmz n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmz s SER 118 N -2.28 6.51 0.42 3.54 0.15 -1.26 -5.02 113.70 115.76 2dmz s SER 118 Ca 0.19 0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.74 2dmz s SER 118 Cb -0.02 -2.47 -0.08 0.00 -1.71 0.00 0.00 66.02 61.74 2dmz s SER 118 CO 0.14 -1.11 1.28 -1.81 1.20 0.00 0.00 173.24 172.94 2dmz s ASP 119 N 2.35 6.26 0.87 5.45 1.01 -1.26 -5.02 116.67 126.33 2dmz s ASP 119 Ca 0.39 2.61 -0.13 0.00 0.71 0.00 0.00 52.55 56.12 2dmz s ASP 119 Cb -0.10 -2.63 0.12 0.00 1.01 0.00 0.00 42.92 41.33 2dmz s ASP 119 CO 0.27 -0.88 1.21 0.00 0.21 0.00 0.00 175.17 175.98 2dmz s ARG 120 N -2.32 1.43 0.00 8.23 1.70 -1.26 -5.09 118.95 121.64 2dmz s ARG 120 Ca 0.58 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.82 2dmz s ARG 120 Cb -0.37 -1.90 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 2dmz s ARG 120 CO 0.47 -1.94 0.00 0.41 -1.08 0.00 0.00 175.30 173.16 2dmz n GLY 121 N -3.28 0.65 3.89 3.88 0.00 -1.26 -5.10 105.19 103.96 2dmz n GLY 121 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2dmz n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmz s THR 122 N 1.59 2.60 -0.08 2.61 -4.23 -1.26 -5.13 115.64 111.74 2dmz s THR 122 Ca 0.00 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2dmz s THR 122 Cb 0.00 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2dmz s THR 122 CO 0.00 0.00 -0.07 0.54 -0.54 0.00 0.00 174.62 174.55 2dmz s VAL 123 N -2.49 3.70 0.03 2.29 0.11 -1.26 -5.12 120.40 117.66 2dmz s VAL 123 Ca 0.48 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 2dmz s VAL 123 Cb -0.03 -2.53 0.01 0.00 -1.53 0.00 0.00 36.38 32.29 2dmz s VAL 123 CO 0.28 0.58 0.21 -0.44 -3.33 0.00 0.00 175.10 172.40 2dmz s SER 124 N -0.59 -0.01 0.00 3.54 0.01 -1.26 -4.98 113.70 110.42 2dmz s SER 124 Ca 0.09 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dmz s SER 124 Cb -0.12 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2dmz s SER 124 CO 0.02 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2dmz n GLY 125 N 0.87 3.82 3.72 3.44 0.00 -0.97 -4.95 105.19 111.12 2dmz n GLY 125 Ca -0.20 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2dmz n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmz s PRO 126 N 2.36 1.32 0.15 1.61 0.04 -1.26 -4.40 135.00 134.83 2dmz s PRO 126 Ca 0.00 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2dmz s PRO 126 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2dmz s PRO 126 CO 0.00 -2.20 1.01 -1.54 0.04 0.00 0.00 177.00 174.31 2dmz s SER 127 N -3.42 7.44 -0.28 6.66 1.04 -1.26 -4.22 113.70 119.65 2dmz s SER 127 Ca 0.63 1.92 -0.26 0.00 0.48 0.00 0.00 55.95 58.72 2dmz s SER 127 Cb -0.18 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.51 2dmz s SER 127 CO 0.57 -0.09 1.28 -0.94 0.98 0.00 0.00 173.24 175.04 2dmz s SER 128 N -0.22 -0.18 0.00 7.02 1.04 -1.20 -5.03 113.70 115.14 2dmz s SER 128 Ca 0.47 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2dmz s SER 128 Cb -0.26 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2dmz s SER 128 CO 0.32 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.06