#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd s SER 2 N 0.00 -0.57 0.33 1.61 1.04 -1.26 -5.19 113.70 109.67 2dmd s SER 2 Ca 0.00 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 56.96 2dmd s SER 2 Cb 0.00 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2dmd s SER 2 CO 0.00 -0.49 0.66 -0.44 0.98 0.00 0.00 173.24 173.95 2dmd s SER 3 N -1.04 0.10 -0.32 7.02 0.01 -1.26 -5.14 113.70 113.07 2dmd s SER 3 Ca -0.07 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2dmd s SER 3 Cb -0.01 0.74 0.14 0.00 0.21 0.00 0.00 66.02 67.11 2dmd s SER 3 CO 0.06 -1.44 0.30 -0.83 0.41 0.00 0.00 173.24 171.74 2dmd s GLY 4 N -3.06 0.04 0.00 3.44 0.00 -1.26 -4.98 107.32 101.50 2dmd s GLY 4 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2dmd s GLY 4 CO 0.12 2.58 0.00 -1.14 0.00 0.00 0.00 173.10 174.65 2dmd n SER 5 N 4.86 0.33 -4.60 1.64 3.41 -1.26 -5.05 113.62 112.94 2dmd n SER 5 Ca 0.03 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.17 2dmd n SER 5 Cb 0.45 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2dmd n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmd n SER 6 N -2.87 1.71 0.00 4.04 7.64 -1.26 -4.93 113.62 117.95 2dmd n SER 6 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2dmd n SER 6 Cb 0.42 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2dmd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmd n GLY 7 N 1.89 1.88 3.69 0.23 0.00 -1.26 -5.13 105.19 106.50 2dmd n GLY 7 Ca 0.13 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2dmd n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 8 N -2.00 4.27 -0.18 1.61 0.04 -1.26 -5.01 135.00 132.47 2dmd s PRO 8 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2dmd s PRO 8 Cb 0.00 -3.55 0.04 0.00 0.04 0.00 0.00 34.50 31.03 2dmd s PRO 8 CO 0.00 -0.59 -0.07 -1.01 0.04 0.00 0.00 177.00 175.37 2dmd s HIS 9 N 2.34 1.99 0.13 0.56 3.76 -1.26 -5.12 115.29 117.68 2dmd s HIS 9 Ca 0.65 -1.29 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 2dmd s HIS 9 Cb -0.33 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 2dmd s HIS 9 CO 0.28 -0.67 -0.13 0.15 -0.85 0.00 0.00 174.74 173.52 2dmd s LYS 10 N 1.54 1.04 0.98 1.40 3.01 -1.26 -3.71 119.74 122.74 2dmd s LYS 10 Ca -0.00 -1.30 -0.20 0.00 -1.01 0.00 0.00 55.97 53.46 2dmd s LYS 10 Cb -0.16 -0.84 -0.03 0.00 -1.01 0.00 0.00 37.83 35.80 2dmd s LYS 10 CO -0.08 0.15 -0.66 0.00 0.51 0.00 0.00 175.35 175.27 2dmd n GLU 12 N 0.46 0.28 0.00 0.00 4.07 -1.26 -3.77 120.64 120.42 2dmd n GLU 12 Ca 0.00 -0.98 0.00 0.00 -0.06 0.00 0.00 57.16 56.12 2dmd n GLU 12 Cb 0.58 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.85 2dmd n GLU 12 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2dmd n VAL 13 N 0.26 0.00 -0.97 6.31 0.24 -1.26 -4.80 118.33 118.11 2dmd n VAL 13 Ca 0.04 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.38 2dmd n VAL 13 Cb 0.17 -0.61 0.06 0.00 -1.47 0.00 0.00 33.84 31.98 2dmd n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmd n GLY 15 N -0.72 -0.77 3.58 0.00 0.00 -1.25 -4.86 105.19 101.18 2dmd n GLY 15 Ca 0.07 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2dmd n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmd s LYS 16 N -4.40 3.24 0.52 1.61 2.20 -1.26 -4.68 119.74 116.97 2dmd s LYS 16 Ca 0.06 -0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 55.01 2dmd s LYS 16 Cb -0.03 -2.81 -0.07 0.00 -1.51 0.00 0.00 37.83 33.40 2dmd s LYS 16 CO 0.58 0.50 1.01 0.00 -0.36 0.00 0.00 175.35 177.07 2dmd s PHE 18 N -2.45 0.46 -0.11 0.00 0.08 -1.24 -4.97 117.98 109.75 2dmd s PHE 18 Ca 0.61 -0.83 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 2dmd s PHE 18 Cb -0.12 -0.12 -0.27 0.00 -0.57 0.00 0.00 43.02 41.94 2dmd s PHE 18 CO 0.29 -0.69 0.71 0.77 -0.10 0.00 0.00 175.22 176.20 2dmd h SER 19 N 2.60 0.20 -3.99 1.36 0.02 -1.98 -3.47 113.55 108.28 2dmd h SER 19 Ca -0.32 -0.90 -0.34 0.00 -0.84 0.00 0.00 61.79 59.39 2dmd h SER 19 Cb 1.22 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2dmd h SER 19 CO 0.50 1.27 -0.69 0.00 -1.14 0.00 0.00 176.83 176.77 2dmd s ARG 20 N -2.34 1.15 0.32 3.45 1.70 -1.26 -5.04 118.95 116.93 2dmd s ARG 20 Ca -0.19 -1.53 0.05 0.00 -0.47 0.00 0.00 55.73 53.60 2dmd s ARG 20 Cb 0.00 -0.58 0.55 0.00 -0.57 0.00 0.00 34.95 34.35 2dmd s ARG 20 CO 0.73 -0.00 1.79 1.57 -1.08 0.00 0.00 175.30 178.31 2dmd h LYS 21 N 2.68 0.37 -0.98 3.89 2.10 -1.98 -2.80 116.57 119.84 2dmd h LYS 21 Ca -0.37 -0.12 0.05 0.00 -2.00 0.00 0.00 60.65 58.21 2dmd h LYS 21 Cb 1.20 -0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.44 2dmd h LYS 21 CO 0.64 0.57 0.64 -0.44 -2.00 0.00 0.00 179.45 178.86 2dmd h ASP 22 N 0.34 1.03 0.42 7.07 3.32 -2.00 -1.62 116.42 124.98 2dmd h ASP 22 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2dmd h ASP 22 Cb 0.57 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2dmd h ASP 22 CO 0.04 0.68 -0.22 0.11 -1.72 0.00 0.00 179.24 178.13 2dmd h LYS 23 N 1.18 -0.56 -0.89 3.56 1.79 -1.92 -2.80 116.57 116.93 2dmd h LYS 23 Ca 0.41 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 59.00 2dmd h LYS 23 Cb 0.11 0.13 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 2dmd h LYS 23 CO -0.15 -0.37 0.54 1.25 -1.08 0.00 0.00 179.45 179.64 2dmd h LEU 24 N -0.58 0.83 -0.89 2.94 5.85 -1.51 -1.36 115.31 120.59 2dmd h LEU 24 Ca -0.05 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.89 2dmd h LEU 24 Cb 0.46 -0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.18 2dmd h LEU 24 CO 0.08 0.50 -0.15 0.50 -0.34 0.00 0.00 178.44 179.03 2dmd h LYS 25 N 0.95 0.01 0.14 1.25 3.64 -1.03 0.16 116.57 121.70 2dmd h LYS 25 Ca 0.41 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.50 2dmd h LYS 25 Cb 0.27 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dmd h LYS 25 CO -0.21 0.01 -1.27 1.15 -2.27 0.00 0.00 179.45 176.86 2dmd h THR 26 N 0.01 1.46 -0.95 1.00 2.02 -1.40 -3.32 112.91 111.74 2dmd h THR 26 Ca 0.45 -2.99 0.28 0.00 0.77 0.00 0.00 66.41 64.93 2dmd h THR 26 Cb 0.76 2.94 -0.17 0.00 -1.74 0.00 0.00 68.15 69.95 2dmd h THR 26 CO -0.89 0.88 0.19 -0.74 0.37 0.00 0.00 175.52 175.33 2dmd h HIS 27 N 0.09 0.25 -1.03 3.16 -0.00 0.40 0.61 115.15 118.63 2dmd h HIS 27 Ca -0.15 0.06 0.35 0.00 -0.00 0.00 0.00 60.37 60.62 2dmd h HIS 27 Cb 1.99 0.05 -0.15 0.00 -0.00 0.00 0.00 27.41 29.30 2dmd h HIS 27 CO 0.07 -0.35 0.60 0.52 -0.00 0.00 0.00 177.93 178.77 2dmd h MET 28 N 0.08 0.25 -0.69 5.26 2.86 -1.53 -1.07 114.93 120.08 2dmd h MET 28 Ca 0.62 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 58.36 2dmd h MET 28 Cb 1.35 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.84 2dmd h MET 28 CO -0.79 0.16 -0.25 0.54 1.06 0.00 0.00 176.91 177.62 2dmd n ARG 29 N -5.03 -0.15 0.00 1.72 1.74 0.21 -1.11 116.66 114.05 2dmd n ARG 29 Ca 0.33 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 58.47 2dmd n ARG 29 Cb 1.07 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmd n HIS 31 N -2.24 -1.87 -2.03 0.00 8.25 -0.26 -5.00 115.22 112.08 2dmd n HIS 31 Ca 0.00 -0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2dmd n HIS 31 Cb 0.00 -1.51 0.18 0.00 1.12 0.00 0.00 29.99 29.78 2dmd n HIS 31 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dmd s THR 32 N -2.20 2.01 0.00 1.59 -4.23 -1.26 -4.99 115.64 106.56 2dmd s THR 32 Ca 0.54 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2dmd s THR 32 Cb -0.12 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2dmd s THR 32 CO 0.58 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2dmd n GLY 33 N -3.65 2.06 3.09 3.99 0.00 -1.26 -4.99 105.19 104.43 2dmd n GLY 33 Ca 0.15 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2dmd n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmd s VAL 34 N 2.02 4.12 -0.72 1.61 -7.23 -1.26 -4.96 120.40 113.98 2dmd s VAL 34 Ca 0.00 -3.66 0.04 0.00 -1.81 0.00 0.00 61.98 56.56 2dmd s VAL 34 Cb 0.00 -3.59 0.20 0.00 0.56 0.00 0.00 36.38 33.55 2dmd s VAL 34 CO 0.00 -1.03 0.63 0.29 -0.31 0.00 0.00 175.10 174.68 2dmd n LYS 35 N 2.61 2.20 -0.11 4.82 4.01 -1.26 -4.87 118.16 125.56 2dmd n LYS 35 Ca 0.18 -4.55 -0.13 0.00 -0.51 0.00 0.00 58.31 53.30 2dmd n LYS 35 Cb 0.37 -2.30 -0.01 0.00 -0.51 0.00 0.00 35.03 32.58 2dmd n LYS 35 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2dmd h PRO 36 N 5.08 0.91 -5.70 1.97 0.13 -1.92 -3.42 132.00 129.05 2dmd h PRO 36 Ca 0.17 -0.47 -0.39 0.00 -0.87 0.00 0.00 66.00 64.43 2dmd h PRO 36 Cb 0.73 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2dmd h PRO 36 CO 0.79 1.13 1.23 0.71 -0.23 0.00 0.00 178.00 181.62 2dmd s TYR 37 N -4.39 1.34 -0.04 1.56 2.02 -1.26 -4.93 117.35 111.65 2dmd s TYR 37 Ca -0.11 1.29 0.05 0.00 -0.37 0.00 0.00 57.07 57.93 2dmd s TYR 37 Cb 0.11 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 37.90 2dmd s TYR 37 CO 0.88 -2.24 -0.18 0.15 -1.57 0.00 0.00 175.55 172.58 2dmd s LYS 38 N 7.85 1.85 0.34 -0.62 1.02 -1.26 -1.80 119.74 127.12 2dmd s LYS 38 Ca 0.84 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 2dmd s LYS 38 Cb -0.14 -1.62 -0.11 0.00 -0.52 0.00 0.00 37.83 35.44 2dmd s LYS 38 CO 0.19 0.28 1.53 0.00 -0.92 0.00 0.00 175.35 176.43 2dmd h LYS 40 N 3.85 0.82 0.00 0.00 2.10 -1.99 -3.36 116.57 117.99 2dmd h LYS 40 Ca -0.49 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.01 2dmd h LYS 40 Cb 1.23 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2dmd h LYS 40 CO 0.71 0.72 -0.23 1.15 -2.00 0.00 0.00 179.45 179.80 2dmd h THR 41 N 0.74 0.00 -3.43 0.07 2.02 -2.02 -3.48 112.91 106.81 2dmd h THR 41 Ca 0.18 -0.69 -0.41 0.00 0.77 0.00 0.00 66.41 66.25 2dmd h THR 41 Cb 0.21 0.00 0.19 0.00 -1.74 0.00 0.00 68.15 66.82 2dmd h THR 41 CO -0.01 0.00 0.09 0.00 0.37 0.00 0.00 175.52 175.96 2dmd n ASP 43 N -4.89 4.55 -4.89 0.00 8.00 -1.26 -4.34 116.55 113.72 2dmd n ASP 43 Ca 0.12 -3.58 -0.32 0.00 0.71 0.00 0.00 54.79 51.71 2dmd n ASP 43 Cb 0.59 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dmd s TYR 44 N -3.60 3.51 -0.11 1.24 5.04 -1.26 -4.99 117.35 117.19 2dmd s TYR 44 Ca 0.48 0.54 0.01 0.00 -2.44 0.00 0.00 57.07 55.66 2dmd s TYR 44 Cb 0.40 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.72 2dmd s TYR 44 CO -0.00 0.50 -0.15 0.00 -1.34 0.00 0.00 175.55 174.56 2dmd s ALA 45 N -1.53 2.56 0.15 3.97 0.00 -1.26 -3.30 121.76 122.35 2dmd s ALA 45 Ca 0.36 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2dmd s ALA 45 Cb -0.13 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2dmd s ALA 45 CO 0.23 0.32 -0.00 0.00 0.00 0.00 0.00 175.76 176.31 2dmd s ALA 46 N 0.12 3.22 -0.18 0.00 0.00 -0.74 -5.02 121.76 119.16 2dmd s ALA 46 Ca -0.07 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 2dmd s ALA 46 Cb -0.15 -1.05 -0.15 0.00 0.00 0.00 0.00 23.12 21.77 2dmd s ALA 46 CO 0.05 0.55 0.17 0.00 0.00 0.00 0.00 175.76 176.53 2dmd h ALA 47 N 2.93 0.15 -2.70 0.00 0.00 -1.89 -3.39 119.26 114.36 2dmd h ALA 47 Ca -0.47 -0.89 -0.61 0.00 0.00 0.00 0.00 54.91 52.94 2dmd h ALA 47 Cb 1.19 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 19.40 2dmd h ALA 47 CO 0.58 0.53 -0.72 -0.51 0.00 0.00 0.00 179.25 179.13 2dmd s ASP 48 N -6.43 4.11 0.43 0.00 1.01 -1.26 -4.92 116.67 109.62 2dmd s ASP 48 Ca -0.23 -0.70 0.26 0.00 0.71 0.00 0.00 52.55 52.59 2dmd s ASP 48 Cb 0.04 -0.62 1.29 0.00 1.01 0.00 0.00 42.92 44.63 2dmd s ASP 48 CO 0.48 0.07 1.72 -1.28 0.21 0.00 0.00 175.17 176.37 2dmd h SER 49 N 2.59 0.31 -0.19 0.27 0.87 -2.00 0.29 113.55 115.68 2dmd h SER 49 Ca -0.45 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 2dmd h SER 49 Cb 1.22 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 2dmd h SER 49 CO 0.56 -0.02 -0.06 0.77 -0.53 0.00 0.00 176.83 177.54 2dmd h SER 50 N 0.22 0.39 -0.89 6.23 4.64 -1.99 -1.98 113.55 120.17 2dmd h SER 50 Ca 0.68 -0.38 0.23 0.00 -0.47 0.00 0.00 61.79 61.85 2dmd h SER 50 Cb 2.04 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.89 2dmd h SER 50 CO -0.30 0.69 0.34 0.28 -0.87 0.00 0.00 176.83 176.97 2dmd h SER 51 N 0.09 0.21 -0.02 4.97 0.02 -0.81 -0.72 113.55 117.29 2dmd h SER 51 Ca 0.05 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2dmd h SER 51 Cb 0.52 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2dmd h SER 51 CO 0.02 -0.07 -0.18 0.25 -1.14 0.00 0.00 176.83 175.71 2dmd h LEU 52 N 0.32 0.20 -0.93 5.07 5.85 -1.45 -3.25 115.31 121.12 2dmd h LEU 52 Ca 0.56 -0.69 0.26 0.00 0.84 0.00 0.00 57.88 58.85 2dmd h LEU 52 Cb 1.12 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.92 2dmd h LEU 52 CO -0.58 0.86 0.10 0.78 -0.34 0.00 0.00 178.44 179.27 2dmd h ASN 53 N -0.44 -0.31 -0.64 1.25 4.21 -0.37 0.70 115.58 119.98 2dmd h ASN 53 Ca -0.02 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2dmd h ASN 53 Cb 0.87 0.41 -0.03 0.00 -1.12 0.00 0.00 38.32 38.45 2dmd h ASN 53 CO 0.04 -0.29 0.40 0.50 -1.29 0.00 0.00 177.43 176.79 2dmd h LYS 54 N 0.06 0.86 -0.02 0.81 3.11 -1.43 -2.01 116.57 117.96 2dmd h LYS 54 Ca 0.58 -0.07 -0.07 0.00 -2.81 0.00 0.00 60.65 58.28 2dmd h LYS 54 Cb 1.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2dmd h LYS 54 CO -0.82 0.59 -0.31 1.25 -2.81 0.00 0.00 179.45 177.35 2dmd h HIS 55 N 0.87 0.03 0.00 1.91 2.76 0.25 -1.99 115.15 118.98 2dmd h HIS 55 Ca 0.23 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2dmd h HIS 55 Cb -0.06 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.89 2dmd h HIS 55 CO -0.02 0.34 0.00 -0.07 -1.30 0.00 0.00 177.93 176.88 2dmd h LEU 56 N 0.03 0.00 0.37 0.26 3.38 -0.10 -3.09 115.31 116.15 2dmd h LEU 56 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dmd h LEU 56 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dmd h LEU 56 CO 0.04 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.42 2dmd h ARG 57 N 0.00 -0.48 -1.18 1.13 3.08 -1.21 -3.07 114.38 112.66 2dmd h ARG 57 Ca 0.00 0.03 0.44 0.00 0.07 0.00 0.00 59.98 60.52 2dmd h ARG 57 Cb 0.30 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.31 2dmd h ARG 57 CO 0.00 -0.17 0.71 0.44 -1.07 0.00 0.00 179.97 179.88 2dmd n ILE 58 N -5.18 -0.31 -1.71 2.04 -5.35 -1.17 -2.76 119.36 104.92 2dmd n ILE 58 Ca -0.10 1.84 -0.41 0.00 -0.27 0.00 0.00 62.75 63.81 2dmd n ILE 58 Cb 0.28 -3.00 -0.03 0.00 -1.74 0.00 0.00 39.64 35.15 2dmd n ILE 58 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2dmd n HIS 59 N -4.88 3.03 -4.39 4.28 8.25 -1.16 -4.89 115.22 115.45 2dmd n HIS 59 Ca 0.38 -2.34 -0.25 0.00 -0.26 0.00 0.00 57.72 55.24 2dmd n HIS 59 Cb 1.40 -2.29 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 2dmd n HIS 59 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dmd s SER 60 N 4.44 4.08 0.83 0.41 0.01 -1.11 -5.05 113.70 117.30 2dmd s SER 60 Ca 0.55 -1.10 -0.11 0.00 1.31 0.00 0.00 55.95 56.59 2dmd s SER 60 Cb 0.11 -0.47 0.09 0.00 0.21 0.00 0.00 66.02 65.96 2dmd s SER 60 CO 0.04 -0.30 1.14 -1.81 0.41 0.00 0.00 173.24 172.72 2dmd s ASP 61 N -3.72 3.74 1.06 2.44 1.01 -1.26 -4.96 116.67 114.97 2dmd s ASP 61 Ca 0.35 2.10 -0.24 0.00 0.71 0.00 0.00 52.55 55.47 2dmd s ASP 61 Cb 0.02 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 2dmd s ASP 61 CO 0.19 -2.56 -0.87 -0.62 0.21 0.00 0.00 175.17 171.52 2dmd n GLU 62 N -3.66 -0.73 -3.51 8.23 4.71 -1.26 -4.76 120.64 119.65 2dmd n GLU 62 Ca 0.11 -0.21 -0.27 0.00 -0.01 0.00 0.00 57.16 56.79 2dmd n GLU 62 Cb 0.52 -1.31 -0.09 0.00 -1.01 0.00 0.00 31.44 29.55 2dmd n GLU 62 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2dmd n ARG 63 N 0.46 1.43 0.21 3.49 1.85 -1.26 -4.22 116.66 118.61 2dmd n ARG 63 Ca -0.01 -3.99 0.07 0.00 -1.00 0.00 0.00 57.85 52.92 2dmd n ARG 63 Cb 0.70 -1.93 0.44 0.00 -1.05 0.00 0.00 32.46 30.63 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2dmd h PRO 64 N 4.83 0.00 -6.06 2.89 0.13 -1.81 -3.44 132.00 128.54 2dmd h PRO 64 Ca 0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.70 2dmd h PRO 64 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 2dmd h PRO 64 CO 0.62 0.29 -0.54 -0.06 -0.23 0.00 0.00 178.00 178.09 2dmd s PHE 65 N -3.83 3.36 0.05 1.56 0.08 -1.26 -5.09 117.98 112.85 2dmd s PHE 65 Ca -0.01 0.14 -0.08 0.00 0.12 0.00 0.00 56.93 57.10 2dmd s PHE 65 Cb 0.12 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2dmd s PHE 65 CO 0.66 0.55 0.17 0.15 -0.10 0.00 0.00 175.22 176.65 2dmd s LYS 66 N -2.65 0.71 -0.04 0.44 3.01 -1.26 -3.53 119.74 116.43 2dmd s LYS 66 Ca 0.32 -0.77 -0.09 0.00 -1.01 0.00 0.00 55.97 54.43 2dmd s LYS 66 Cb -0.12 0.29 -0.05 0.00 -1.01 0.00 0.00 37.83 36.94 2dmd s LYS 66 CO 0.25 -0.21 0.26 0.00 0.51 0.00 0.00 175.35 176.17 2dmd h GLN 68 N 4.49 -0.20 -0.23 0.00 4.20 -1.98 -3.38 115.11 118.01 2dmd h GLN 68 Ca -0.52 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.23 2dmd h GLN 68 Cb 1.21 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2dmd h GLN 68 CO 0.62 -0.13 -0.22 0.82 -0.67 0.00 0.00 178.83 179.25 2dmd h ILE 69 N -0.42 0.00 -2.84 2.54 2.04 -2.01 -3.41 117.51 113.42 2dmd h ILE 69 Ca -0.02 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.25 2dmd h ILE 69 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 2dmd h ILE 69 CO 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.63 2dmd n PRO 71 N -0.10 0.49 -0.90 0.00 -0.04 -1.26 -3.95 135.00 129.24 2dmd n PRO 71 Ca -0.08 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.01 2dmd n PRO 71 Cb 0.53 -1.22 0.07 0.00 -0.04 0.00 0.00 33.50 32.84 2dmd n PRO 71 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2dmd n TYR 72 N -0.72 -1.71 -3.61 0.54 9.36 -1.26 -4.73 117.16 115.03 2dmd n TYR 72 Ca 0.05 0.45 -0.16 0.00 3.32 0.00 0.00 57.90 61.56 2dmd n TYR 72 Cb 0.02 -1.45 -0.07 0.00 -0.63 0.00 0.00 39.34 37.21 2dmd n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmd s ALA 73 N -2.08 -1.41 0.17 2.98 0.00 -1.26 -3.09 121.76 117.07 2dmd s ALA 73 Ca 0.43 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2dmd s ALA 73 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2dmd s ALA 73 CO 0.68 -0.32 0.05 -1.54 0.00 0.00 0.00 175.76 174.63 2dmd s SER 74 N -1.10 0.69 -0.09 0.00 1.04 -1.23 -5.05 113.70 107.95 2dmd s SER 74 Ca -0.11 -1.25 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 2dmd s SER 74 Cb -0.02 0.23 -0.28 0.00 0.10 0.00 0.00 66.02 66.05 2dmd s SER 74 CO 0.07 -0.69 0.60 0.08 0.98 0.00 0.00 173.24 174.27 2dmd h ARG 75 N 2.72 0.26 0.00 4.02 0.11 -1.86 -3.35 114.38 116.27 2dmd h ARG 75 Ca -0.36 -0.45 -0.32 0.00 0.10 0.00 0.00 59.98 58.95 2dmd h ARG 75 Cb 1.21 0.17 -0.05 0.00 1.11 0.00 0.00 29.97 32.41 2dmd h ARG 75 CO 0.60 1.22 -0.21 0.27 0.10 0.00 0.00 179.97 181.95 2dmd n ASN 76 N -3.91 2.44 -0.05 0.08 0.23 -1.26 -4.59 115.26 108.19 2dmd n ASN 76 Ca -0.24 -2.06 -0.09 0.00 -0.53 0.00 0.00 54.58 51.67 2dmd n ASN 76 Cb 0.91 0.11 -0.08 0.00 -2.08 0.00 0.00 39.78 38.65 2dmd n ASN 76 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2dmd h SER 77 N 0.52 -0.01 -0.85 0.53 0.02 -2.01 -3.35 113.55 108.39 2dmd h SER 77 Ca -0.20 -0.58 0.09 0.00 -0.84 0.00 0.00 61.79 60.25 2dmd h SER 77 Cb 0.64 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.07 2dmd h SER 77 CO 0.32 0.77 -0.47 -0.24 -1.14 0.00 0.00 176.83 176.07 2dmd n SER 78 N -4.70 -0.83 -0.33 3.07 2.88 -1.26 0.15 113.62 112.61 2dmd n SER 78 Ca -0.06 1.51 0.23 0.00 -1.33 0.00 0.00 58.87 59.22 2dmd n SER 78 Cb 0.29 -0.22 0.45 0.00 -0.75 0.00 0.00 64.21 63.98 2dmd n SER 78 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2dmd h GLN 79 N 0.00 0.21 -0.16 -1.46 1.08 -2.00 1.34 115.11 114.12 2dmd h GLN 79 Ca 0.17 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2dmd h GLN 79 Cb 0.38 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2dmd h GLN 79 CO -0.81 0.14 -0.26 1.25 -0.95 0.00 0.00 178.83 178.20 2dmd h LEU 80 N 0.21 0.28 -0.17 1.46 5.85 0.13 -1.02 115.31 122.06 2dmd h LEU 80 Ca 0.72 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.32 2dmd h LEU 80 Cb 1.66 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2dmd h LEU 80 CO -0.67 0.55 -0.01 0.74 -0.34 0.00 0.00 178.44 178.71 2dmd h THR 81 N 0.26 1.26 -0.22 1.05 2.02 0.24 0.23 112.91 117.76 2dmd h THR 81 Ca 0.04 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 2dmd h THR 81 Cb 0.60 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2dmd h THR 81 CO 0.04 0.26 -0.43 0.58 0.37 0.00 0.00 175.52 176.35 2dmd h VAL 82 N 0.04 1.31 -0.09 3.16 2.07 -1.24 -2.84 116.25 118.66 2dmd h VAL 82 Ca 0.05 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 65.89 2dmd h VAL 82 Cb 0.40 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2dmd h VAL 82 CO 0.01 0.50 -0.24 -0.74 0.02 0.00 0.00 177.57 177.12 2dmd h HIS 83 N 0.43 0.43 0.13 1.57 6.17 -1.12 -3.19 115.15 119.56 2dmd h HIS 83 Ca 0.03 -0.16 0.02 0.00 0.71 0.00 0.00 60.37 60.97 2dmd h HIS 83 Cb 0.92 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.73 2dmd h HIS 83 CO 0.03 0.86 -0.39 -0.07 0.71 0.00 0.00 177.93 179.07 2dmd h LEU 84 N -0.13 -1.14 -1.95 0.26 3.38 -0.53 -0.38 115.31 114.81 2dmd h LEU 84 Ca -0.00 0.13 0.33 0.00 0.09 0.00 0.00 57.88 58.42 2dmd h LEU 84 Cb 0.85 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2dmd h LEU 84 CO 0.05 -0.47 0.81 0.08 0.09 0.00 0.00 178.44 179.00 2dmd h ARG 85 N -0.63 0.03 -0.94 1.13 0.11 -1.59 0.28 114.38 112.76 2dmd h ARG 85 Ca 0.02 -0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.22 2dmd h ARG 85 Cb 0.65 -0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.65 2dmd h ARG 85 CO -0.23 0.02 0.60 1.03 0.10 0.00 0.00 179.97 181.49 2dmd h SER 86 N 0.03 0.83 -0.27 0.08 0.87 -1.04 -3.36 113.55 110.68 2dmd h SER 86 Ca 0.55 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2dmd h SER 86 Cb 2.13 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2dmd h SER 86 CO -0.03 0.46 0.02 1.41 -0.53 0.00 0.00 176.83 178.16 2dmd n HIS 87 N -4.57 1.08 -5.07 2.24 8.25 0.97 -4.88 115.22 113.25 2dmd n HIS 87 Ca 0.17 -0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 2dmd n HIS 87 Cb 0.36 -2.60 -0.17 0.00 1.12 0.00 0.00 29.99 28.70 2dmd n HIS 87 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dmd s THR 88 N 15.47 1.80 -5.00 1.59 -4.23 -1.26 -5.08 115.64 118.93 2dmd s THR 88 Ca 0.90 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2dmd s THR 88 Cb -0.11 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.18 2dmd s THR 88 CO 0.11 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 2dmd n GLY 89 N 3.28 0.42 2.97 3.99 0.00 -1.26 -5.03 105.19 109.55 2dmd n GLY 89 Ca -0.19 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2dmd n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmd s ASP 90 N -4.00 4.45 -0.09 1.61 1.11 -1.26 -5.05 116.67 113.43 2dmd s ASP 90 Ca 0.00 -2.83 -0.04 0.00 0.18 0.00 0.00 52.55 49.86 2dmd s ASP 90 Cb 0.00 -1.65 0.05 0.00 1.07 0.00 0.00 42.92 42.39 2dmd s ASP 90 CO 0.00 -0.27 0.19 -0.44 1.18 0.00 0.00 175.17 175.83 2dmd s SER 91 N 0.00 0.37 -0.08 0.27 0.01 -1.26 -5.15 113.70 107.86 2dmd s SER 91 Ca 0.16 0.42 -0.29 0.00 1.31 0.00 0.00 55.95 57.55 2dmd s SER 91 Cb -0.24 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.43 2dmd s SER 91 CO -0.02 -0.22 0.65 -0.83 0.41 0.00 0.00 173.24 173.24 2dmd s GLY 92 N 2.00 -0.54 1.03 3.44 0.00 -1.26 -5.17 107.32 106.81 2dmd s GLY 92 Ca -0.01 1.34 -0.13 0.00 0.00 0.00 0.00 44.72 45.92 2dmd s GLY 92 CO -0.07 1.00 1.09 2.56 0.00 0.00 0.00 173.10 177.69 2dmd s PRO 93 N -0.96 0.19 -0.69 2.90 0.04 -1.26 -4.96 135.00 130.26 2dmd s PRO 93 Ca -0.10 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 2dmd s PRO 93 Cb -0.01 -1.72 0.43 0.00 0.04 0.00 0.00 34.50 33.25 2dmd s PRO 93 CO 0.08 -2.88 2.03 -1.13 0.04 0.00 0.00 177.00 175.14 2dmd n SER 94 N -4.26 7.65 -3.64 6.66 3.41 -1.26 -4.89 113.62 117.28 2dmd n SER 94 Ca 0.06 -3.80 -0.07 0.00 -0.26 0.00 0.00 58.87 54.80 2dmd n SER 94 Cb 0.58 -0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 2dmd n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmd s SER 95 N -1.73 -0.33 0.00 4.04 0.15 -1.26 -5.39 113.70 109.18 2dmd s SER 95 Ca 0.63 0.63 0.12 0.00 0.70 0.00 0.00 55.95 58.02 2dmd s SER 95 Cb 0.50 0.68 0.09 0.00 -1.71 0.00 0.00 66.02 65.58 2dmd s SER 95 CO -0.08 -0.11 0.88 0.61 1.20 0.00 0.00 173.24 175.74