#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 4.53 0.23 1.61 0.15 -1.26 -5.09 113.70 113.88 2dmz s SER 2 Ca 0.00 -3.52 -0.31 0.00 0.70 0.00 0.00 55.95 52.82 2dmz s SER 2 Cb 0.00 -1.59 -0.14 0.00 -1.71 0.00 0.00 66.02 62.58 2dmz s SER 2 CO 0.00 -0.14 1.26 -1.54 1.20 0.00 0.00 173.24 174.02 2dmz n SER 3 N 2.42 2.07 0.00 5.45 3.41 -1.26 -4.97 113.62 120.74 2dmz n SER 3 Ca 0.15 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 2dmz n SER 3 Cb 0.34 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2dmz n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmz n GLY 4 N 1.88 1.20 3.03 5.00 0.00 -1.26 -4.99 105.19 110.05 2dmz n GLY 4 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 2.60 0.15 1.61 0.15 -1.26 -5.02 113.70 110.92 2dmz s SER 5 Ca 0.00 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.02 2dmz s SER 5 Cb 0.00 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.18 2dmz s SER 5 CO 0.00 -0.03 1.78 0.28 1.20 0.00 0.00 173.24 176.46 2dmz h SER 6 N 7.85 0.27 0.00 5.45 0.02 -2.04 -3.46 113.55 121.64 2dmz h SER 6 Ca -0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2dmz h SER 6 Cb 1.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dmz h SER 6 CO 0.51 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2dmz n GLY 7 N -1.19 0.39 1.23 -3.77 0.00 -1.26 -5.07 105.19 95.51 2dmz n GLY 7 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.48 3.16 -0.02 0.00 -1.26 -5.05 105.19 97.55 2dmz n GLY 8 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 2dmz n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmz s SER 9 N -0.56 2.16 -0.59 1.61 0.15 -1.26 -5.05 113.70 110.16 2dmz s SER 9 Ca 0.00 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.34 2dmz s SER 9 Cb 0.00 -0.38 0.39 0.00 -1.71 0.00 0.00 66.02 64.32 2dmz s SER 9 CO 0.00 0.20 1.38 -0.67 1.20 0.00 0.00 173.24 175.35 2dmz n ASP 10 N 2.82 5.58 -0.08 5.45 2.03 -1.26 -4.74 116.55 126.35 2dmz n ASP 10 Ca -0.16 -3.75 -0.08 0.00 0.52 0.00 0.00 54.79 51.32 2dmz n ASP 10 Cb 0.53 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 2dmz n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dmz n SER 11 N -0.46 1.68 -3.85 1.67 2.88 -1.26 -4.73 113.62 109.56 2dmz n SER 11 Ca 0.43 0.29 -0.41 0.00 -1.33 0.00 0.00 58.87 57.85 2dmz n SER 11 Cb 0.50 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2dmz n SER 11 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmz n SER 12 N -4.21 6.35 0.12 -3.46 7.64 -1.26 -4.78 113.62 114.02 2dmz n SER 12 Ca -0.12 -3.49 0.01 0.00 1.01 0.00 0.00 58.87 56.28 2dmz n SER 12 Cb 0.45 -1.18 0.33 0.00 -1.01 0.00 0.00 64.21 62.80 2dmz n SER 12 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dmz h LEU 13 N 5.00 0.20 -9.53 -3.43 -0.00 -1.90 -3.44 115.31 102.20 2dmz h LEU 13 Ca 0.27 -0.06 -0.56 0.00 -0.00 0.00 0.00 57.88 57.53 2dmz h LEU 13 Cb 0.55 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 41.06 2dmz h LEU 13 CO 1.25 0.46 -0.65 -0.36 -0.00 0.00 0.00 178.44 179.14 2dmz s PHE 14 N -4.45 2.67 -0.08 1.13 0.40 -1.26 -1.27 117.98 115.13 2dmz s PHE 14 Ca -0.05 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 2dmz s PHE 14 Cb 0.15 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 2dmz s PHE 14 CO 0.74 0.63 -0.23 -1.83 0.70 0.00 0.00 175.22 175.23 2dmz s GLU 15 N -3.66 2.76 -0.05 0.44 -1.05 -0.06 -4.84 118.70 112.24 2dmz s GLU 15 Ca 0.31 -0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 54.20 2dmz s GLU 15 Cb -0.06 -2.25 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 2dmz s GLU 15 CO 0.20 0.32 0.20 0.99 0.95 0.00 0.00 175.26 177.92 2dmz s THR 16 N -0.00 5.41 -0.03 1.83 2.01 -1.26 -2.56 115.64 121.04 2dmz s THR 16 Ca -0.08 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 2dmz s THR 16 Cb -0.15 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.87 2dmz s THR 16 CO 0.05 0.47 0.14 -0.72 -0.69 0.00 0.00 174.62 173.87 2dmz s TYR 17 N -1.19 -0.06 -0.13 4.92 1.13 -0.82 -5.00 117.35 116.19 2dmz s TYR 17 Ca 0.22 0.14 -0.13 0.00 -1.41 0.00 0.00 57.07 55.89 2dmz s TYR 17 Cb -0.13 0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 2dmz s TYR 17 CO 0.12 -0.18 0.28 -0.80 -2.51 0.00 0.00 175.55 172.46 2dmz s ASN 18 N -0.62 6.47 -0.24 -0.18 0.01 -1.26 -2.75 114.94 116.38 2dmz s ASN 18 Ca -0.07 0.56 0.02 0.00 -0.71 0.00 0.00 52.86 52.65 2dmz s ASN 18 Cb -0.04 -2.17 0.05 0.00 0.41 0.00 0.00 41.25 39.49 2dmz s ASN 18 CO 0.01 0.18 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.97 2dmz s VAL 19 N 0.00 2.23 -0.83 1.60 1.01 0.15 -4.91 120.40 119.66 2dmz s VAL 19 Ca 0.17 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 2dmz s VAL 19 Cb -0.13 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.15 2dmz s VAL 19 CO 0.05 0.14 1.09 -0.70 0.00 0.00 0.00 175.10 175.68 2dmz s GLU 20 N 1.18 3.41 0.23 2.72 -6.30 -1.26 -0.11 118.70 118.56 2dmz s GLU 20 Ca -0.04 -1.35 -0.24 0.00 -2.50 0.00 0.00 54.97 50.83 2dmz s GLU 20 Cb -0.18 -4.68 -0.09 0.00 0.00 0.00 0.00 34.13 29.18 2dmz s GLU 20 CO -0.07 -1.82 0.81 -0.51 0.02 0.00 0.00 175.26 173.69 2dmz s LEU 21 N 3.39 4.46 -0.07 2.70 1.43 -0.44 -4.87 118.68 125.29 2dmz s LEU 21 Ca 0.29 1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2dmz s LEU 21 Cb -0.09 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2dmz s LEU 21 CO -0.02 0.09 -0.02 0.54 0.23 0.00 0.00 176.35 177.16 2dmz s VAL 22 N -1.38 4.08 -0.40 -1.59 0.11 -1.26 -2.34 120.40 117.62 2dmz s VAL 22 Ca 0.42 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 2dmz s VAL 22 Cb -0.20 -2.71 0.07 0.00 -1.53 0.00 0.00 36.38 32.01 2dmz s VAL 22 CO 0.24 0.57 0.21 -0.13 -3.33 0.00 0.00 175.10 172.67 2dmz s ARG 23 N -0.95 2.56 1.15 1.54 0.52 -1.25 -4.59 118.95 117.94 2dmz s ARG 23 Ca 0.14 -1.41 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 2dmz s ARG 23 Cb -0.11 -3.68 0.18 0.00 0.52 0.00 0.00 34.95 31.86 2dmz s ARG 23 CO 0.03 -0.89 0.30 1.63 0.02 0.00 0.00 175.30 176.39 2dmz n LYS 24 N 4.87 -2.30 -1.61 3.54 5.02 -1.26 -4.67 118.16 121.74 2dmz n LYS 24 Ca -0.10 -0.66 -0.14 0.00 -2.02 0.00 0.00 58.31 55.38 2dmz n LYS 24 Cb 0.43 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.08 3.93 0.00 4.39 1.01 -1.26 -1.79 116.67 120.88 2dmz s ASP 25 Ca 0.54 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.70 2dmz s ASP 25 Cb -0.12 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2dmz s ASP 25 CO 0.58 -3.89 0.00 0.61 0.21 0.00 0.00 175.17 172.68 2dmz n GLY 26 N 6.76 0.87 3.49 0.21 0.00 -1.26 -5.11 105.19 110.15 2dmz n GLY 26 Ca 0.46 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.75 1.74 0.55 1.61 0.74 -0.74 -5.16 119.66 116.65 2dmz s GLN 27 Ca 0.00 -1.72 0.04 0.00 0.05 0.00 0.00 55.36 53.72 2dmz s GLN 27 Cb 0.00 -1.82 0.03 0.00 1.10 0.00 0.00 33.01 32.33 2dmz s GLN 27 CO 0.00 0.34 0.29 -1.54 -0.55 0.00 0.00 175.29 173.82 2dmz s SER 28 N -3.49 4.47 -0.08 6.67 1.04 -1.26 -4.72 113.70 116.33 2dmz s SER 28 Ca 0.30 -1.43 -0.26 0.00 0.48 0.00 0.00 55.95 55.04 2dmz s SER 28 Cb -0.05 0.59 -0.21 0.00 0.10 0.00 0.00 66.02 66.44 2dmz s SER 28 CO 0.15 -1.09 0.97 0.25 0.98 0.00 0.00 173.24 174.50 2dmz h LEU 29 N 0.88 -0.03 -1.35 2.42 5.85 -1.96 -3.23 115.31 117.88 2dmz h LEU 29 Ca -0.39 -0.67 -0.19 0.00 0.84 0.00 0.00 57.88 57.48 2dmz h LEU 29 Cb 1.31 0.01 0.08 0.00 0.37 0.00 0.00 40.66 42.43 2dmz h LEU 29 CO 0.62 0.68 -0.38 0.61 -0.34 0.00 0.00 178.44 179.63 2dmz n GLY 30 N 0.90 0.10 2.80 3.75 0.00 -1.26 -3.01 105.19 108.47 2dmz n GLY 30 Ca -0.09 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.18 1.23 0.15 -0.61 1.01 -1.26 -2.26 121.20 116.29 2dmz s ILE 31 Ca 0.16 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 2dmz s ILE 31 Cb -0.07 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 2dmz s ILE 31 CO 0.38 -0.67 1.22 -0.13 0.00 0.00 0.00 174.94 175.74 2dmz s ARG 32 N 1.39 4.46 0.30 2.79 1.81 -0.80 -4.97 118.95 123.92 2dmz s ARG 32 Ca 0.10 1.88 0.08 0.00 -1.72 0.00 0.00 55.73 56.07 2dmz s ARG 32 Cb -0.18 -3.26 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 2dmz s ARG 32 CO -0.20 -0.17 0.15 0.96 -0.68 0.00 0.00 175.30 175.36 2dmz s ILE 33 N 0.32 3.53 0.01 1.52 -4.36 -1.26 -0.20 121.20 120.76 2dmz s ILE 33 Ca 0.55 -1.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.35 2dmz s ILE 33 Cb -0.32 -3.08 -0.01 0.00 1.25 0.00 0.00 42.46 40.29 2dmz s ILE 33 CO 0.34 -0.26 -0.06 0.54 0.24 0.00 0.00 174.94 175.74 2dmz s VAL 34 N -2.31 0.46 -0.39 8.37 0.11 0.70 -4.55 120.40 122.79 2dmz s VAL 34 Ca 0.36 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 2dmz s VAL 34 Cb -0.05 -0.44 0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2dmz s VAL 34 CO 0.23 -0.03 0.24 -0.83 -3.33 0.00 0.00 175.10 171.38 2dmz s GLY 35 N -0.56 1.95 -0.03 6.54 0.00 -1.26 -2.42 107.32 111.55 2dmz s GLY 35 Ca -0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 2dmz s GLY 35 CO -0.00 0.88 0.11 -0.19 0.00 0.00 0.00 173.10 173.90 2dmz s TYR 36 N 1.56 3.39 -0.06 1.90 1.51 -0.43 -5.00 117.35 120.22 2dmz s TYR 36 Ca 0.02 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.40 2dmz s TYR 36 Cb -0.20 -1.79 -0.06 0.00 -0.11 0.00 0.00 41.96 39.80 2dmz s TYR 36 CO 0.07 0.60 -0.01 0.28 -1.11 0.00 0.00 175.55 175.37 2dmz n VAL 37 N 1.29 0.38 -0.80 0.71 0.31 -1.26 -2.60 118.33 116.35 2dmz n VAL 37 Ca -0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2dmz n VAL 37 Cb 0.53 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 2dmz n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dmz n GLY 38 N 2.86 -3.18 1.47 2.92 0.00 -1.26 -4.74 105.19 103.26 2dmz n GLY 38 Ca -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 0.02 1.93 -3.59 2.61 5.66 -1.26 -4.77 114.28 114.87 2dmz n THR 39 Ca 0.00 -0.65 -0.14 0.00 -3.05 0.00 0.00 64.05 60.20 2dmz n THR 39 Cb 0.00 -1.28 -0.07 0.00 -1.55 0.00 0.00 70.33 67.44 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 1.20 -0.65 0.27 1.09 0.15 -1.26 -5.00 113.70 109.49 2dmz s SER 40 Ca 0.09 1.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 2dmz s SER 40 Cb 0.07 1.01 0.35 0.00 -1.71 0.00 0.00 66.02 65.75 2dmz s SER 40 CO 0.00 -0.36 1.90 1.12 1.20 0.00 0.00 173.24 177.11 2dmz h HIS 41 N 4.09 1.08 -2.59 3.44 2.07 -1.96 -3.41 115.15 117.86 2dmz h HIS 41 Ca -0.27 -0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.03 2dmz h HIS 41 Cb 1.16 -0.35 -0.32 0.00 2.57 0.00 0.00 27.41 30.47 2dmz h HIS 41 CO 0.37 0.74 -0.51 0.95 -3.07 0.00 0.00 177.93 176.41 2dmz s THR 42 N -5.76 -0.47 0.00 6.12 -4.23 -1.26 -4.93 115.64 105.10 2dmz s THR 42 Ca -0.12 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2dmz s THR 42 Cb 0.17 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.43 2dmz s THR 42 CO 0.81 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.52 2dmz n GLY 43 N 5.35 4.04 3.74 3.99 0.00 -1.26 -5.12 105.19 115.94 2dmz n GLY 43 Ca -0.06 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 4.77 0.03 1.61 2.56 -1.26 -4.98 118.70 121.42 2dmz s GLU 44 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 54.97 56.21 2dmz s GLU 44 Cb 0.00 -3.29 -0.08 0.00 2.00 0.00 0.00 34.13 32.76 2dmz s GLU 44 CO 0.00 0.36 1.72 0.00 -0.56 0.00 0.00 175.26 176.79 2dmz s ALA 45 N -0.79 3.65 -0.09 6.30 0.00 -1.26 -4.78 121.76 124.78 2dmz s ALA 45 Ca 0.44 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2dmz s ALA 45 Cb -0.26 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.12 2dmz s ALA 45 CO 0.33 -1.29 -0.19 -1.54 0.00 0.00 0.00 175.76 173.08 2dmz s SER 46 N 3.09 2.54 0.00 0.00 1.04 -1.26 -4.02 113.70 115.09 2dmz s SER 46 Ca 0.77 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2dmz s SER 46 Cb -0.39 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2dmz s SER 46 CO 0.33 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.26 2dmz n GLY 47 N 3.75 0.94 3.88 7.32 0.00 -1.07 -5.00 105.19 115.00 2dmz n GLY 47 Ca -0.20 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.57 5.43 0.06 -0.61 -1.09 -1.26 -1.31 121.20 119.85 2dmz s ILE 48 Ca 0.00 0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.65 2dmz s ILE 48 Cb 0.00 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 2dmz s ILE 48 CO 0.00 0.58 0.06 -0.31 -1.23 0.00 0.00 174.94 174.04 2dmz s TYR 49 N -1.07 0.37 -0.56 3.97 1.51 -1.01 -2.56 117.35 117.99 2dmz s TYR 49 Ca 0.18 -0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 55.09 2dmz s TYR 49 Cb -0.13 -0.25 0.02 0.00 -0.11 0.00 0.00 41.96 41.49 2dmz s TYR 49 CO 0.07 -0.44 1.31 0.08 -1.11 0.00 0.00 175.55 175.46 2dmz s VAL 50 N -3.84 3.90 0.01 0.71 1.01 -0.99 -0.22 120.40 120.99 2dmz s VAL 50 Ca 0.06 0.79 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 2dmz s VAL 50 Cb 0.06 -4.57 -0.17 0.00 0.00 0.00 0.00 36.38 31.71 2dmz s VAL 50 CO -0.10 -1.24 1.32 0.50 0.00 0.00 0.00 175.10 175.58 2dmz h LYS 51 N 10.32 0.20 -3.92 2.72 1.63 -0.82 -3.25 116.57 123.44 2dmz h LYS 51 Ca -0.26 -0.10 -0.11 0.00 -0.85 0.00 0.00 60.65 59.33 2dmz h LYS 51 Cb 1.08 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.59 2dmz h LYS 51 CO 1.18 0.61 -0.30 -1.54 -3.45 0.00 0.00 179.45 175.95 2dmz s SER 52 N -5.91 0.01 -0.45 4.20 1.04 -1.21 -4.89 113.70 106.49 2dmz s SER 52 Ca -0.15 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.33 2dmz s SER 52 Cb 0.04 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.79 2dmz s SER 52 CO 0.72 -0.97 0.29 -0.69 0.98 0.00 0.00 173.24 173.57 2dmz s VAL 53 N -4.02 1.09 0.12 5.02 1.01 -1.26 -1.91 120.40 120.45 2dmz s VAL 53 Ca 0.23 -2.64 -0.35 0.00 0.00 0.00 0.00 61.98 59.21 2dmz s VAL 53 Cb 0.03 -1.75 -0.16 0.00 0.00 0.00 0.00 36.38 34.49 2dmz s VAL 53 CO 0.05 -1.01 1.24 -0.38 0.00 0.00 0.00 175.10 175.00 2dmz n ILE 54 N 3.25 0.38 -1.22 2.22 -0.00 -0.96 -4.82 119.36 118.22 2dmz n ILE 54 Ca 0.16 -0.10 -0.30 0.00 -0.00 0.00 0.00 62.75 62.52 2dmz n ILE 54 Cb 0.38 -0.78 0.13 0.00 -0.00 0.00 0.00 39.64 39.38 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 0.09 1.46 -1.82 0.38 0.04 -1.26 -3.49 135.00 130.40 2dmz s PRO 55 Ca 0.80 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2dmz s PRO 55 Cb -0.93 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2dmz s PRO 55 CO 0.50 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2dmz n GLY 56 N -1.16 1.64 3.71 0.56 0.00 -1.26 -4.96 105.19 103.72 2dmz n GLY 56 Ca 0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.64 4.82 0.26 1.61 1.04 -1.23 -4.92 113.70 112.64 2dmz s SER 57 Ca 0.00 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 2dmz s SER 57 Cb 0.00 -0.96 0.51 0.00 0.10 0.00 0.00 66.02 65.67 2dmz s SER 57 CO 0.00 -0.07 1.62 0.00 0.98 0.00 0.00 173.24 175.77 2dmz h ALA 58 N 1.71 0.88 0.69 5.32 0.00 -1.57 0.25 119.26 126.54 2dmz h ALA 58 Ca -0.45 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2dmz h ALA 58 Cb 1.25 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2dmz h ALA 58 CO 0.61 -0.45 -0.44 0.00 0.00 0.00 0.00 179.25 178.97 2dmz h ALA 59 N 1.77 -1.10 0.14 0.00 0.00 -1.83 0.36 119.26 118.59 2dmz h ALA 59 Ca 0.46 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dmz h ALA 59 Cb 0.84 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2dmz h ALA 59 CO -0.73 -1.14 -0.31 -0.92 0.00 0.00 0.00 179.25 176.15 2dmz h TYR 60 N -1.06 -0.85 -0.26 0.00 5.03 -1.44 -0.92 116.97 117.46 2dmz h TYR 60 Ca -0.09 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.30 2dmz h TYR 60 Cb 0.86 0.36 -0.08 0.00 1.55 0.00 0.00 36.73 39.42 2dmz h TYR 60 CO -0.11 -0.42 -0.31 0.45 -1.32 0.00 0.00 178.16 176.45 2dmz h HIS 61 N -0.55 -0.85 -0.64 -3.82 3.86 -0.51 -1.33 115.15 111.31 2dmz h HIS 61 Ca 0.03 0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.40 2dmz h HIS 61 Cb 0.57 0.41 -0.08 0.00 1.06 0.00 0.00 27.41 29.37 2dmz h HIS 61 CO -0.27 -0.38 0.20 -0.97 0.86 0.00 0.00 177.93 177.37 2dmz h ASN 62 N -0.31 0.14 -1.70 2.45 -1.24 -0.63 -3.46 115.58 110.82 2dmz h ASN 62 Ca 0.13 0.10 -0.12 0.00 0.71 0.00 0.00 56.30 57.12 2dmz h ASN 62 Cb 0.53 0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.70 2dmz h ASN 62 CO -0.44 0.07 -0.18 0.61 -1.29 0.00 0.00 177.43 176.21 2dmz n GLY 63 N -1.31 0.33 0.00 1.57 0.00 -0.38 -4.94 105.19 100.46 2dmz n GLY 63 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2dmz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmz n HIS 64 N -3.60 0.00 -3.52 1.61 8.25 -1.26 -5.01 115.22 111.70 2dmz n HIS 64 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 2dmz n HIS 64 Cb 0.54 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.98 5.27 0.15 1.59 1.01 -1.26 -5.07 121.20 120.91 2dmz s ILE 65 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 2dmz s ILE 65 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2dmz s ILE 65 CO 0.00 0.26 0.10 -1.10 0.00 0.00 0.00 174.94 174.20 2dmz s GLN 66 N 1.51 1.01 1.13 2.79 1.11 -1.26 -4.69 119.66 121.27 2dmz s GLN 66 Ca 0.12 -1.45 -0.18 0.00 0.01 0.00 0.00 55.36 53.86 2dmz s GLN 66 Cb -0.15 0.26 0.15 0.00 -1.01 0.00 0.00 33.01 32.27 2dmz s GLN 66 CO 0.08 -0.31 0.18 1.33 0.01 0.00 0.00 175.29 176.59 2dmz n VAL 67 N -0.14 0.00 -2.86 1.09 0.24 -1.26 -3.55 118.33 111.84 2dmz n VAL 67 Ca -0.04 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.34 61.80 2dmz n VAL 67 Cb 0.64 -0.63 0.02 0.00 -1.47 0.00 0.00 33.84 32.40 2dmz n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dmz n ASN 68 N -2.09 -6.08 -4.29 -1.34 4.13 -1.22 -4.93 115.26 99.44 2dmz n ASN 68 Ca 0.03 -0.22 -0.26 0.00 1.68 0.00 0.00 54.58 55.81 2dmz n ASN 68 Cb 0.56 -4.95 -0.13 0.00 -1.54 0.00 0.00 39.78 33.72 2dmz n ASN 68 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2dmz s ASP 69 N -2.53 2.66 -0.24 6.41 1.11 -1.23 -4.99 116.67 117.85 2dmz s ASP 69 Ca 0.23 -0.62 -0.06 0.00 0.18 0.00 0.00 52.55 52.28 2dmz s ASP 69 Cb -0.10 -0.19 -0.02 0.00 1.07 0.00 0.00 42.92 43.68 2dmz s ASP 69 CO 0.28 0.13 0.02 -0.75 1.18 0.00 0.00 175.17 176.03 2dmz s LYS 70 N -1.56 3.54 -0.20 8.23 2.20 -1.26 -2.34 119.74 128.34 2dmz s LYS 70 Ca 0.08 -0.54 -0.18 0.00 -0.36 0.00 0.00 55.97 54.97 2dmz s LYS 70 Cb -0.09 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2dmz s LYS 70 CO 0.03 -0.19 0.49 0.42 -0.36 0.00 0.00 175.35 175.74 2dmz s ILE 71 N 1.55 5.13 -0.05 5.43 1.09 -1.06 -1.31 121.20 131.98 2dmz s ILE 71 Ca 0.06 0.89 0.16 0.00 -1.10 0.00 0.00 60.65 60.66 2dmz s ILE 71 Cb -0.15 -3.81 -0.24 0.00 -1.06 0.00 0.00 42.46 37.20 2dmz s ILE 71 CO 0.01 0.19 0.30 1.33 -0.10 0.00 0.00 174.94 176.66 2dmz n VAL 72 N 4.53 0.22 -3.66 2.92 0.24 -0.60 -4.59 118.33 117.39 2dmz n VAL 72 Ca -0.06 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 2dmz n VAL 72 Cb 0.51 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 2dmz n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmz s ALA 73 N -2.98 -1.49 -0.12 2.33 0.00 -1.15 -2.29 121.76 116.06 2dmz s ALA 73 Ca -0.06 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.53 2dmz s ALA 73 Cb 0.09 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2dmz s ALA 73 CO 0.67 -0.29 -0.16 0.08 0.00 0.00 0.00 175.76 176.06 2dmz s VAL 74 N 0.14 1.59 -1.54 0.00 1.01 0.12 0.68 120.40 122.39 2dmz s VAL 74 Ca -0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2dmz s VAL 74 Cb -0.04 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2dmz s VAL 74 CO 0.02 0.46 0.03 -0.67 0.00 0.00 0.00 175.10 174.93 2dmz n ASP 75 N 4.33 -5.30 0.00 3.32 -0.08 0.40 -1.66 116.55 117.56 2dmz n ASP 75 Ca -0.19 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2dmz n ASP 75 Cb 0.51 -4.35 0.00 0.00 2.34 0.00 0.00 41.12 39.62 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dmz n GLY 76 N -1.04 0.39 3.13 0.27 0.00 -1.17 -4.78 105.19 101.99 2dmz n GLY 76 Ca -0.21 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 2.03 -0.74 1.61 1.01 -0.66 -5.06 120.40 116.59 2dmz s VAL 77 Ca 0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 2dmz s VAL 77 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2dmz s VAL 77 CO 0.00 0.54 2.12 0.21 0.00 0.00 0.00 175.10 177.97 2dmz s ASN 78 N 1.15 4.74 -0.09 3.32 2.47 -1.26 -0.71 114.94 124.56 2dmz s ASN 78 Ca 0.01 0.04 0.08 0.00 0.42 0.00 0.00 52.86 53.41 2dmz s ASN 78 Cb -0.14 -2.54 0.40 0.00 -1.45 0.00 0.00 41.25 37.52 2dmz s ASN 78 CO -0.09 -2.97 1.17 2.30 -3.72 0.00 0.00 177.10 173.79 2dmz n ILE 79 N 7.97 1.20 -1.56 -5.21 -5.35 -0.97 -4.86 119.36 110.58 2dmz n ILE 79 Ca 0.37 -0.66 -0.15 0.00 -0.27 0.00 0.00 62.75 62.03 2dmz n ILE 79 Cb 0.49 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.07 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 0.38 0.60 0.00 6.28 1.13 -1.17 -0.38 117.38 124.22 2dmz n GLN 80 Ca 0.14 -0.78 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 2dmz n GLN 80 Cb 0.64 -3.68 0.00 0.00 0.11 0.00 0.00 30.24 27.31 2dmz n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dmz n GLY 81 N 6.74 1.90 3.66 1.08 0.00 -1.26 -5.09 105.19 112.22 2dmz n GLY 81 Ca 0.46 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.08 -1.11 1.61 3.01 0.49 -4.94 117.46 118.60 2dmz n PHE 82 Ca 0.00 0.42 -0.31 0.00 1.01 0.00 0.00 57.45 58.57 2dmz n PHE 82 Cb 0.00 -2.46 0.11 0.00 -0.01 0.00 0.00 39.48 37.12 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 0.21 2.01 0.22 4.37 0.00 -1.26 -4.63 121.76 122.69 2dmz s ALA 83 Ca 0.72 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 2dmz s ALA 83 Cb -0.69 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.32 2dmz s ALA 83 CO 0.47 -2.06 1.53 -1.71 0.00 0.00 0.00 175.76 173.98 2dmz n ASN 84 N -3.67 -0.66 -0.08 0.00 2.85 -1.26 -0.30 115.26 112.14 2dmz n ASN 84 Ca 0.10 1.72 -0.12 0.00 -0.11 0.00 0.00 54.58 56.17 2dmz n ASN 84 Cb 0.53 -0.39 -0.05 0.00 1.24 0.00 0.00 39.78 41.11 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 0.54 -1.05 1.20 2.07 -2.00 -2.45 115.15 113.47 2dmz h HIS 85 Ca 0.34 -0.13 0.28 0.00 -2.85 0.00 0.00 60.37 58.01 2dmz h HIS 85 Cb 0.58 -0.13 -0.07 0.00 2.57 0.00 0.00 27.41 30.37 2dmz h HIS 85 CO -0.87 0.74 0.71 -0.44 -3.07 0.00 0.00 177.93 175.00 2dmz h ASP 86 N 0.18 0.23 0.27 3.10 5.19 -0.98 0.13 116.42 124.55 2dmz h ASP 86 Ca 0.05 0.04 -0.34 0.00 -0.62 0.00 0.00 57.03 56.16 2dmz h ASP 86 Cb 0.60 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.14 2dmz h ASP 86 CO 0.03 0.05 -1.52 0.58 -3.12 0.00 0.00 179.24 175.26 2dmz h VAL 87 N 0.21 1.24 -0.20 -1.35 2.07 -0.69 -3.21 116.25 114.32 2dmz h VAL 87 Ca 0.54 -2.69 0.04 0.00 0.82 0.00 0.00 66.70 65.41 2dmz h VAL 87 Cb 1.74 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 34.47 2dmz h VAL 87 CO -0.15 0.82 -0.04 0.58 0.02 0.00 0.00 177.57 178.81 2dmz h VAL 88 N 0.14 0.81 -0.77 2.57 2.07 -0.30 -1.88 116.25 118.90 2dmz h VAL 88 Ca -0.27 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2dmz h VAL 88 Cb 2.15 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2dmz h VAL 88 CO 0.26 0.00 0.51 1.05 0.02 0.00 0.00 177.57 179.41 2dmz h GLU 89 N 0.02 0.99 -0.52 1.57 4.11 -1.41 -2.33 114.58 117.01 2dmz h GLU 89 Ca 0.10 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.50 2dmz h GLU 89 Cb 0.14 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2dmz h GLU 89 CO -0.19 0.66 0.29 0.28 0.07 0.00 0.00 179.01 180.11 2dmz h VAL 90 N 1.02 1.00 -0.26 -1.06 2.07 -1.35 0.90 116.25 118.57 2dmz h VAL 90 Ca 0.28 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2dmz h VAL 90 Cb -0.10 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2dmz h VAL 90 CO -0.07 0.10 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 2dmz h LEU 91 N 0.56 0.36 -0.84 2.57 3.38 -0.93 -1.99 115.31 118.43 2dmz h LEU 91 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dmz h LEU 91 Cb 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2dmz h LEU 91 CO -0.13 0.44 0.48 0.03 0.09 0.00 0.00 178.44 179.35 2dmz h ARG 92 N 0.26 1.16 -0.71 1.13 3.08 -1.10 -2.43 114.38 115.78 2dmz h ARG 92 Ca 0.08 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2dmz h ARG 92 Cb 0.20 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2dmz h ARG 92 CO -0.01 0.84 0.33 -0.91 -1.07 0.00 0.00 179.97 179.15 2dmz h ASN 93 N 1.16 0.92 -3.79 7.04 2.35 -0.64 -3.43 115.58 119.19 2dmz h ASN 93 Ca 0.30 -0.11 -0.56 0.00 -0.55 0.00 0.00 56.30 55.38 2dmz h ASN 93 Cb 0.00 -0.24 0.17 0.00 0.05 0.00 0.00 38.32 38.31 2dmz h ASN 93 CO -0.05 0.79 0.14 0.00 -1.65 0.00 0.00 177.43 176.66 2dmz n ALA 94 N -2.44 -0.08 -2.09 -0.83 0.00 -0.76 -5.03 120.51 109.29 2dmz n ALA 94 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2dmz n ALA 94 Cb 0.14 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 1.09 2.19 0.49 0.00 0.00 -1.26 -5.01 105.19 102.69 2dmz n GLY 95 Ca 0.13 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 2dmz n GLY 95 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dmz h GLN 96 N 0.00 -0.90 -6.04 1.61 4.15 -1.92 -3.35 115.11 108.66 2dmz h GLN 96 Ca 0.00 0.06 -0.48 0.00 0.77 0.00 0.00 58.65 59.00 2dmz h GLN 96 Cb 0.00 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 2dmz h GLN 96 CO 0.00 -0.60 1.17 0.08 -1.93 0.00 0.00 178.83 177.55 2dmz s VAL 97 N -5.86 3.54 -0.44 2.39 1.01 -1.26 -3.76 120.40 116.02 2dmz s VAL 97 Ca -0.17 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2dmz s VAL 97 Cb 0.05 -4.34 0.12 0.00 0.00 0.00 0.00 36.38 32.21 2dmz s VAL 97 CO 0.61 -1.28 0.29 -0.69 0.00 0.00 0.00 175.10 174.02 2dmz s VAL 98 N 7.94 3.81 -0.61 2.92 1.01 -0.99 -4.96 120.40 129.53 2dmz s VAL 98 Ca 0.57 -1.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 2dmz s VAL 98 Cb -0.09 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2dmz s VAL 98 CO 0.11 -0.74 1.04 -1.00 0.00 0.00 0.00 175.10 174.51 2dmz s HIS 99 N 1.27 2.66 -0.05 5.22 3.76 -1.25 -1.32 115.29 125.57 2dmz s HIS 99 Ca 0.07 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 2dmz s HIS 99 Cb -0.25 -4.28 -0.04 0.00 1.11 0.00 0.00 32.58 29.12 2dmz s HIS 99 CO -0.02 -1.57 0.63 -1.17 -0.85 0.00 0.00 174.74 171.76 2dmz s LEU 100 N 4.42 4.35 -0.34 0.89 1.98 0.84 0.15 118.68 130.95 2dmz s LEU 100 Ca 0.31 1.13 -0.09 0.00 -2.89 0.00 0.00 54.13 52.59 2dmz s LEU 100 Cb -0.12 -2.98 0.03 0.00 0.66 0.00 0.00 46.19 43.78 2dmz s LEU 100 CO 0.17 -0.03 0.14 -0.89 -1.89 0.00 0.00 176.35 173.86 2dmz s THR 101 N 0.44 4.18 0.27 3.68 2.01 0.22 -0.67 115.64 125.77 2dmz s THR 101 Ca 0.34 -0.91 0.12 0.00 0.31 0.00 0.00 61.69 61.55 2dmz s THR 101 Cb -0.18 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2dmz s THR 101 CO 0.17 -0.14 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.01 2dmz s LEU 102 N 1.49 2.63 -0.15 4.42 1.02 -1.11 -1.56 118.68 125.43 2dmz s LEU 102 Ca 0.01 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.13 2dmz s LEU 102 Cb -0.19 -1.16 0.06 0.00 0.02 0.00 0.00 46.19 44.92 2dmz s LEU 102 CO 0.05 0.04 0.11 0.54 0.02 0.00 0.00 176.35 177.11 2dmz s VAL 103 N -2.44 -0.14 0.27 -1.59 0.11 -0.42 -1.95 120.40 114.24 2dmz s VAL 103 Ca 0.30 -0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.39 2dmz s VAL 103 Cb -0.05 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2dmz s VAL 103 CO 0.15 -0.19 -0.00 0.00 -3.33 0.00 0.00 175.10 171.73 2dmz s ARG 104 N 2.18 2.27 0.19 1.54 1.70 -1.06 -4.09 118.95 121.68 2dmz s ARG 104 Ca 0.03 -1.45 -0.31 0.00 -0.47 0.00 0.00 55.73 53.54 2dmz s ARG 104 Cb -0.15 -2.14 -0.09 0.00 -0.57 0.00 0.00 34.95 31.99 2dmz s ARG 104 CO -0.09 0.34 1.47 0.50 -1.08 0.00 0.00 175.30 176.44 2dmz s ARG 105 N -3.68 4.27 0.73 3.89 3.52 -1.26 -0.89 118.95 125.54 2dmz s ARG 105 Ca 0.32 2.26 -0.11 0.00 -0.13 0.00 0.00 55.73 58.06 2dmz s ARG 105 Cb -0.06 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2dmz s ARG 105 CO 0.20 -0.48 1.07 0.15 -0.81 0.00 0.00 175.30 175.43 2dmz s LYS 106 N 0.50 2.62 -0.39 5.12 1.02 -0.39 -4.85 119.74 123.37 2dmz s LYS 106 Ca 0.64 0.85 -0.27 0.00 0.02 0.00 0.00 55.97 57.21 2dmz s LYS 106 Cb -0.41 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 2dmz s LYS 106 CO 0.36 -1.30 2.21 0.95 -0.92 0.00 0.00 175.35 176.65 2dmz s THR 107 N -3.08 3.10 -0.29 2.17 -4.23 -1.26 -4.89 115.64 107.16 2dmz s THR 107 Ca 0.59 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 61.05 2dmz s THR 107 Cb -0.14 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 70.62 2dmz s THR 107 CO 0.55 -0.16 0.76 -0.44 -0.54 0.00 0.00 174.62 174.78 2dmz s SER 108 N 9.71 -0.90 0.53 3.99 0.01 -1.26 -5.18 113.70 120.60 2dmz s SER 108 Ca 0.93 1.34 0.06 0.00 1.31 0.00 0.00 55.95 59.59 2dmz s SER 108 Cb -0.22 1.70 0.05 0.00 0.21 0.00 0.00 66.02 67.75 2dmz s SER 108 CO 0.29 -0.20 0.73 -0.94 0.41 0.00 0.00 173.24 173.53 2dmz s SER 109 N 2.11 5.26 0.16 2.44 1.04 -1.26 -5.12 113.70 118.32 2dmz s SER 109 Ca -0.08 -0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.04 2dmz s SER 109 Cb -0.07 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 2dmz s SER 109 CO -0.19 -1.14 -0.13 -0.55 0.98 0.00 0.00 173.24 172.22 2dmz s SER 110 N -4.49 4.12 0.27 7.02 0.15 -1.26 -5.09 113.70 114.42 2dmz s SER 110 Ca 0.59 -0.58 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 2dmz s SER 110 Cb -0.08 -0.66 -0.13 0.00 -1.71 0.00 0.00 66.02 63.44 2dmz s SER 110 CO 0.37 0.13 1.47 1.07 1.20 0.00 0.00 173.24 177.48 2dmz n THR 111 N 0.29 1.10 -3.88 6.45 5.66 -1.26 -5.00 114.28 117.64 2dmz n THR 111 Ca -0.12 -0.28 -0.12 0.00 -3.05 0.00 0.00 64.05 60.49 2dmz n THR 111 Cb 0.55 -1.68 -0.13 0.00 -1.55 0.00 0.00 70.33 67.52 2dmz n THR 111 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dmz s SER 112 N 0.30 0.02 0.89 1.09 1.04 -1.26 -5.17 113.70 110.61 2dmz s SER 112 Ca 0.65 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dmz s SER 112 Cb -0.58 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2dmz s SER 112 CO 0.51 -0.07 0.00 -0.81 0.98 0.00 0.00 173.24 173.84 2dmz n PRO 113 N 2.75 -0.79 -0.04 4.02 -0.04 -1.26 -5.00 135.00 134.63 2dmz n PRO 113 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2dmz n PRO 113 Cb 0.59 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.91 2dmz n PRO 113 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dmz n LEU 114 N 0.00 1.24 -3.29 1.53 -0.00 -1.26 -4.64 117.00 110.58 2dmz n LEU 114 Ca 0.00 0.25 -0.25 0.00 -0.00 0.00 0.00 56.01 56.01 2dmz n LEU 114 Cb 0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 43.42 43.22 2dmz n LEU 114 CO 0.00 0.55 -0.21 1.21 -0.00 0.00 0.00 177.39 178.94 2dmz n GLU 115 N -3.10 1.08 -2.26 1.47 2.13 -1.26 -5.12 120.64 113.59 2dmz n GLU 115 Ca -0.25 -3.57 -0.37 0.00 0.66 0.00 0.00 57.16 53.62 2dmz n GLU 115 Cb 1.07 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 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 -1.33 3.79 -0.71 5.31 0.04 -1.26 -4.93 135.00 135.91 2dmz s PRO 116 Ca 0.35 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 2dmz s PRO 116 Cb 0.14 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2dmz s PRO 116 CO -0.10 -0.53 1.89 -1.25 0.04 0.00 0.00 177.00 177.04 2dmz s PRO 117 N -2.66 2.60 -0.20 0.56 0.04 -1.26 -4.75 135.00 129.33 2dmz s PRO 117 Ca 0.63 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 2dmz s PRO 117 Cb -0.29 -4.61 -0.08 0.00 0.04 0.00 0.00 34.50 29.56 2dmz s PRO 117 CO 0.35 -2.94 -0.31 0.43 0.04 0.00 0.00 177.00 174.57 2dmz n SER 118 N 13.14 1.75 -4.08 6.66 7.64 -1.26 -4.92 113.62 132.54 2dmz n SER 118 Ca 0.27 0.30 -0.33 0.00 1.01 0.00 0.00 58.87 60.12 2dmz n SER 118 Cb 0.50 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.86 2dmz n SER 118 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dmz s ASP 119 N -6.65 4.63 0.15 6.43 1.01 -1.26 -5.00 116.67 115.99 2dmz s ASP 119 Ca -0.30 -1.56 -0.17 0.00 0.71 0.00 0.00 52.55 51.24 2dmz s ASP 119 Cb 0.09 -1.61 0.06 0.00 1.01 0.00 0.00 42.92 42.47 2dmz s ASP 119 CO 0.40 -0.26 1.72 -0.09 0.21 0.00 0.00 175.17 177.16 2dmz h ARG 120 N 7.79 0.16 0.00 8.23 9.65 -2.00 -3.45 114.38 134.77 2dmz h ARG 120 Ca -0.16 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2dmz h ARG 120 Cb 1.04 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2dmz h ARG 120 CO 0.50 0.11 0.00 0.41 2.80 0.00 0.00 179.97 183.78 2dmz n GLY 121 N -1.23 3.54 3.32 2.80 0.00 -1.26 -5.18 105.19 107.18 2dmz n GLY 121 Ca 0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 2dmz n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dmz s THR 122 N 3.87 0.05 -1.43 2.61 -1.32 -1.26 -4.91 115.64 113.25 2dmz s THR 122 Ca 0.00 -0.38 -0.17 0.00 -1.21 0.00 0.00 61.69 59.93 2dmz s THR 122 Cb 0.00 -0.80 0.17 0.00 -1.51 0.00 0.00 72.50 70.35 2dmz s THR 122 CO 0.00 -0.21 0.49 1.33 -2.21 0.00 0.00 174.62 174.02 2dmz n VAL 123 N 0.95 -0.21 -4.06 5.08 0.24 -1.26 -4.89 118.33 114.17 2dmz n VAL 123 Ca -0.20 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.75 2dmz n VAL 123 Cb 0.57 -0.66 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2dmz n VAL 123 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dmz s SER 124 N -2.95 4.98 0.00 -1.34 0.01 -1.26 -4.90 113.70 108.24 2dmz s SER 124 Ca 0.62 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2dmz s SER 124 Cb -0.35 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2dmz s SER 124 CO 0.76 0.08 0.00 0.61 0.41 0.00 0.00 173.24 175.09 2dmz n GLY 125 N 4.15 0.95 3.77 3.44 0.00 -1.26 -5.08 105.19 111.16 2dmz n GLY 125 Ca -0.17 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.31 2.39 0.38 1.61 0.04 -1.26 -4.98 135.00 132.87 2dmz s PRO 126 Ca 0.00 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.00 2dmz s PRO 126 Cb 0.00 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2dmz s PRO 126 CO 0.00 -1.55 1.33 0.45 0.04 0.00 0.00 177.00 177.27 2dmz s SER 127 N -3.18 6.43 0.13 6.66 0.15 -1.26 -4.99 113.70 117.64 2dmz s SER 127 Ca 0.63 2.73 -0.22 0.00 0.70 0.00 0.00 55.95 59.78 2dmz s SER 127 Cb -0.18 -2.65 -0.07 0.00 -1.71 0.00 0.00 66.02 61.41 2dmz s SER 127 CO 0.52 -0.77 0.67 -0.44 1.20 0.00 0.00 173.24 174.42 2dmz s SER 128 N -0.58 7.20 0.00 5.45 0.01 -1.26 -5.33 113.70 119.19 2dmz s SER 128 Ca 0.54 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2dmz s SER 128 Cb -0.40 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2dmz s SER 128 CO 0.52 0.22 0.00 0.61 0.41 0.00 0.00 173.24 175.00