#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 -0.18 0.15 1.61 0.01 -1.26 -5.19 113.70 108.84 2dmd s SER 2 Ca 0.00 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 2dmd s SER 2 Cb 0.00 0.48 0.07 0.00 0.21 0.00 0.00 66.02 66.78 2dmd s SER 2 CO 0.00 -0.88 0.65 -0.55 0.41 0.00 0.00 173.24 172.87 2dmd s SER 3 N -2.93 -0.51 0.16 2.44 0.15 -1.26 -5.19 113.70 106.56 2dmd s SER 3 Ca 0.12 -0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.52 2dmd s SER 3 Cb -0.01 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 2dmd s SER 3 CO 0.02 -0.96 0.52 -0.83 1.20 0.00 0.00 173.24 173.19 2dmd s GLY 4 N -2.74 -0.38 0.29 9.45 0.00 -1.26 -5.18 107.32 107.50 2dmd s GLY 4 Ca 0.03 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 2dmd s GLY 4 CO -0.11 -0.09 0.77 -1.35 0.00 0.00 0.00 173.10 172.33 2dmd s SER 5 N -2.80 -0.18 -0.17 1.64 1.04 -1.26 -5.19 113.70 106.79 2dmd s SER 5 Ca 0.04 -0.72 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 2dmd s SER 5 Cb -0.00 0.73 0.13 0.00 0.10 0.00 0.00 66.02 66.97 2dmd s SER 5 CO -0.10 -1.37 1.01 -0.44 0.98 0.00 0.00 173.24 173.31 2dmd s SER 6 N -2.97 -0.37 -0.59 7.02 0.01 -1.26 -5.11 113.70 110.44 2dmd s SER 6 Ca 0.13 0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.86 2dmd s SER 6 Cb -0.05 0.32 0.21 0.00 0.21 0.00 0.00 66.02 66.71 2dmd s SER 6 CO 0.07 -0.33 0.57 0.61 0.41 0.00 0.00 173.24 174.58 2dmd n GLY 7 N 0.79 3.85 3.67 3.44 0.00 -1.26 -5.11 105.19 110.58 2dmd n GLY 7 Ca -0.10 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.58 0.41 0.07 1.61 0.04 -1.26 -4.70 135.00 129.58 2dmd s PRO 8 Ca 0.33 0.53 0.09 0.00 0.04 0.00 0.00 61.00 61.99 2dmd s PRO 8 Cb 0.08 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2dmd s PRO 8 CO -0.10 -2.75 -0.25 -1.01 0.04 0.00 0.00 177.00 172.92 2dmd s HIS 9 N -2.96 2.35 -0.10 0.56 3.76 -1.26 -4.98 115.29 112.66 2dmd s HIS 9 Ca 0.65 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2dmd s HIS 9 Cb -0.19 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 2dmd s HIS 9 CO 0.58 0.20 -0.06 -1.59 -0.85 0.00 0.00 174.74 173.02 2dmd s LYS 10 N -1.48 3.11 0.92 1.40 -2.85 -1.26 -3.57 119.74 116.01 2dmd s LYS 10 Ca 0.13 -0.53 -0.12 0.00 -1.00 0.00 0.00 55.97 54.44 2dmd s LYS 10 Cb -0.10 -2.72 0.14 0.00 -2.06 0.00 0.00 37.83 33.10 2dmd s LYS 10 CO 0.04 0.51 1.10 0.00 0.10 0.00 0.00 175.35 177.09 2dmd n GLU 12 N -3.92 0.00 -0.24 0.00 0.00 -1.26 -3.77 120.64 111.45 2dmd n GLU 12 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.24 2dmd n GLU 12 Cb 0.57 -0.72 0.14 0.00 0.00 0.00 0.00 31.44 31.42 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2dmd h VAL 13 N 0.00 0.81 0.00 3.84 -1.51 -2.00 -3.26 116.25 114.13 2dmd h VAL 13 Ca 0.00 -0.19 -0.22 0.00 -1.23 0.00 0.00 66.70 65.06 2dmd h VAL 13 Cb 0.95 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 30.29 2dmd h VAL 13 CO 0.00 0.10 -1.85 0.00 -1.23 0.00 0.00 177.57 174.59 2dmd n GLY 15 N 2.55 0.74 3.89 0.00 0.00 -1.23 -5.08 105.19 106.06 2dmd n GLY 15 Ca -0.24 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 2dmd n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmd s LYS 16 N -2.50 2.93 0.13 1.61 3.01 -1.26 -4.85 119.74 118.81 2dmd s LYS 16 Ca 0.00 -1.13 0.10 0.00 -1.01 0.00 0.00 55.97 53.93 2dmd s LYS 16 Cb 0.00 -2.62 -0.04 0.00 -1.01 0.00 0.00 37.83 34.17 2dmd s LYS 16 CO 0.00 0.17 -0.24 0.00 0.51 0.00 0.00 175.35 175.79 2dmd s PHE 18 N -1.20 1.32 -0.25 0.00 0.08 -1.23 -5.03 117.98 111.67 2dmd s PHE 18 Ca 0.12 -1.38 -0.17 0.00 0.12 0.00 0.00 56.93 55.63 2dmd s PHE 18 Cb -0.10 -0.65 -0.14 0.00 -0.57 0.00 0.00 43.02 41.56 2dmd s PHE 18 CO 0.06 -0.61 -0.16 0.43 -0.10 0.00 0.00 175.22 174.84 2dmd n SER 19 N -0.50 1.92 -4.64 1.36 7.64 -1.26 -4.38 113.62 113.76 2dmd n SER 19 Ca 0.02 0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.87 2dmd n SER 19 Cb 0.66 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dmd s ARG 20 N -2.47 4.16 0.19 1.43 0.52 -1.26 -4.26 118.95 117.26 2dmd s ARG 20 Ca -0.35 0.58 0.11 0.00 -0.52 0.00 0.00 55.73 55.56 2dmd s ARG 20 Cb 0.11 -3.61 0.60 0.00 0.52 0.00 0.00 34.95 32.57 2dmd s ARG 20 CO 0.52 -0.32 1.28 0.36 0.02 0.00 0.00 175.30 177.16 2dmd n LYS 21 N 5.35 0.07 0.01 3.54 0.00 -1.26 -1.19 118.16 124.69 2dmd n LYS 21 Ca -0.01 0.54 -0.20 0.00 -0.00 0.00 0.00 58.31 58.64 2dmd n LYS 21 Cb 0.49 -1.84 -0.14 0.00 -0.00 0.00 0.00 35.03 33.54 2dmd n LYS 21 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2dmd h ASP 22 N 0.00 0.36 -0.91 -5.58 1.82 -1.98 -3.35 116.42 106.78 2dmd h ASP 22 Ca 0.00 -0.91 0.30 0.00 -0.39 0.00 0.00 57.03 56.03 2dmd h ASP 22 Cb 0.21 -0.12 -0.17 0.00 0.68 0.00 0.00 39.33 39.93 2dmd h ASP 22 CO 0.00 1.41 0.19 0.29 -1.61 0.00 0.00 179.24 179.52 2dmd n LYS 23 N -4.15 -0.07 0.02 0.28 4.76 -0.33 0.72 118.16 119.39 2dmd n LYS 23 Ca -0.17 1.33 -0.10 0.00 -2.87 0.00 0.00 58.31 56.50 2dmd n LYS 23 Cb 0.79 -2.21 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 2dmd n LYS 23 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2dmd h LEU 24 N 0.00 -0.51 -0.68 -0.35 5.85 -1.69 0.10 115.31 118.03 2dmd h LEU 24 Ca 0.63 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.59 2dmd h LEU 24 Cb 1.47 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 42.61 2dmd h LEU 24 CO -0.80 -0.22 -0.10 0.29 -0.34 0.00 0.00 178.44 177.27 2dmd n LYS 25 N -5.31 -0.06 0.05 1.25 5.02 0.22 0.17 118.16 119.52 2dmd n LYS 25 Ca -0.04 1.04 -0.14 0.00 -2.02 0.00 0.00 58.31 57.16 2dmd n LYS 25 Cb 0.22 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2dmd h THR 26 N 0.00 1.25 -0.30 -0.18 2.02 -1.48 -3.31 112.91 110.91 2dmd h THR 26 Ca 0.36 -2.93 0.09 0.00 0.77 0.00 0.00 66.41 64.70 2dmd h THR 26 Cb 0.63 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 2dmd h THR 26 CO -0.68 0.81 0.85 -0.74 0.37 0.00 0.00 175.52 176.14 2dmd h HIS 27 N 0.04 0.00 -0.15 3.16 6.17 0.38 1.15 115.15 125.91 2dmd h HIS 27 Ca -0.19 0.00 -0.22 0.00 0.71 0.00 0.00 60.37 60.66 2dmd h HIS 27 Cb 1.96 0.00 0.01 0.00 2.52 0.00 0.00 27.41 31.90 2dmd h HIS 27 CO 0.04 0.00 -0.78 0.52 0.71 0.00 0.00 177.93 178.42 2dmd h MET 28 N 0.00 0.78 0.00 5.26 2.86 -1.55 -3.02 114.93 119.25 2dmd h MET 28 Ca 0.14 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2dmd h MET 28 Cb 1.85 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.64 2dmd h MET 28 CO -0.00 1.24 0.25 0.07 1.06 0.00 0.00 176.91 179.53 2dmd h ARG 29 N 0.53 0.00 0.00 1.72 0.11 0.12 0.63 114.38 117.48 2dmd h ARG 29 Ca -0.05 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.90 2dmd h ARG 29 Cb 1.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 2dmd h ARG 29 CO 0.16 0.00 -1.17 0.00 0.10 0.00 0.00 179.97 179.06 2dmd n HIS 31 N -2.91 1.29 -3.40 0.00 8.25 0.22 -4.73 115.22 113.94 2dmd n HIS 31 Ca -0.06 -1.51 0.01 0.00 -0.26 0.00 0.00 57.72 55.91 2dmd n HIS 31 Cb 0.77 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 2dmd n HIS 31 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dmd s THR 32 N -1.71 -0.39 0.00 1.59 -1.32 -1.25 -5.08 115.64 107.48 2dmd s THR 32 Ca 0.25 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2dmd s THR 32 Cb 0.20 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2dmd s THR 32 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2dmd n GLY 33 N 4.77 0.45 1.77 6.08 0.00 -1.26 -4.94 105.19 112.07 2dmd n GLY 33 Ca -0.10 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2dmd n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmd n VAL 34 N 0.00 0.00 -3.16 1.61 0.24 -1.26 -4.95 118.33 110.81 2dmd n VAL 34 Ca 0.00 -1.33 -0.14 0.00 -2.04 0.00 0.00 64.34 60.83 2dmd n VAL 34 Cb 0.00 0.64 0.07 0.00 -1.47 0.00 0.00 33.84 33.08 2dmd n VAL 34 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dmd n LYS 35 N -0.37 -4.15 0.00 7.34 5.02 -1.26 -4.88 118.16 119.86 2dmd n LYS 35 Ca 0.03 0.75 0.07 0.00 -2.02 0.00 0.00 58.31 57.15 2dmd n LYS 35 Cb 0.33 -5.38 0.41 0.00 -0.02 0.00 0.00 35.03 30.37 2dmd n LYS 35 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2dmd n PRO 36 N -3.43 0.31 -3.12 1.97 -0.04 -1.25 -4.31 135.00 125.14 2dmd n PRO 36 Ca -0.17 0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.93 2dmd n PRO 36 Cb 0.63 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2dmd n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dmd s TYR 37 N -2.36 3.24 0.03 0.54 1.51 -1.20 -5.00 117.35 114.12 2dmd s TYR 37 Ca 0.18 -1.37 0.07 0.00 -1.01 0.00 0.00 57.07 54.94 2dmd s TYR 37 Cb 0.10 -4.04 -0.03 0.00 -0.11 0.00 0.00 41.96 37.88 2dmd s TYR 37 CO 0.21 -1.27 -0.17 0.15 -1.11 0.00 0.00 175.55 173.36 2dmd s LYS 38 N 1.99 2.13 1.10 -0.62 1.02 -1.26 0.07 119.74 124.17 2dmd s LYS 38 Ca 0.19 -0.95 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 2dmd s LYS 38 Cb -0.15 -2.22 0.25 0.00 -0.52 0.00 0.00 37.83 35.19 2dmd s LYS 38 CO -0.02 0.55 1.06 0.00 -0.92 0.00 0.00 175.35 176.02 2dmd h LYS 40 N -2.45 0.04 0.01 0.00 1.79 -2.00 -3.42 116.57 110.55 2dmd h LYS 40 Ca -0.56 -0.07 -0.37 0.00 -2.18 0.00 0.00 60.65 57.47 2dmd h LYS 40 Cb 1.31 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.94 2dmd h LYS 40 CO 0.47 1.04 -2.02 -2.37 -1.08 0.00 0.00 179.45 175.49 2dmd n THR 41 N -4.49 1.54 -1.14 -0.16 5.66 -1.26 -4.98 114.28 109.46 2dmd n THR 41 Ca -0.16 -0.28 -0.29 0.00 -3.05 0.00 0.00 64.05 60.28 2dmd n THR 41 Cb 0.58 -1.90 0.19 0.00 -1.55 0.00 0.00 70.33 67.65 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmd n ASP 43 N -4.32 5.25 -4.81 0.00 9.92 -1.26 -4.34 116.55 116.99 2dmd n ASP 43 Ca 0.06 -3.75 -0.36 0.00 -0.53 0.00 0.00 54.79 50.21 2dmd n ASP 43 Cb 0.58 -0.44 -0.07 0.00 -0.64 0.00 0.00 41.12 40.55 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2dmd s TYR 44 N -3.63 3.54 -0.19 1.24 5.04 -1.26 -4.99 117.35 117.11 2dmd s TYR 44 Ca 0.52 0.53 -0.08 0.00 -2.44 0.00 0.00 57.07 55.61 2dmd s TYR 44 Cb 0.42 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 2dmd s TYR 44 CO -0.01 0.52 0.07 0.00 -1.34 0.00 0.00 175.55 174.79 2dmd s ALA 45 N -0.41 3.44 -0.04 3.97 0.00 -1.26 -2.82 121.76 124.63 2dmd s ALA 45 Ca 0.14 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2dmd s ALA 45 Cb -0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2dmd s ALA 45 CO 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 175.76 175.83 2dmd s ALA 46 N 0.38 2.71 0.03 0.00 0.00 0.11 -5.01 121.76 119.98 2dmd s ALA 46 Ca 0.04 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 2dmd s ALA 46 Cb -0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 23.12 21.84 2dmd s ALA 46 CO -0.00 0.56 1.25 0.00 0.00 0.00 0.00 175.76 177.57 2dmd h ALA 47 N 5.24 -0.97 -1.60 0.00 0.00 -1.88 -3.18 119.26 116.88 2dmd h ALA 47 Ca -0.47 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 2dmd h ALA 47 Cb 1.16 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2dmd h ALA 47 CO 0.50 -0.93 -0.46 0.34 0.00 0.00 0.00 179.25 178.71 2dmd s ASP 48 N -4.44 4.71 0.04 0.00 2.15 -1.26 -4.36 116.67 113.51 2dmd s ASP 48 Ca -0.15 -0.90 -0.24 0.00 0.43 0.00 0.00 52.55 51.68 2dmd s ASP 48 Cb 0.02 -0.55 -0.13 0.00 -0.30 0.00 0.00 42.92 41.95 2dmd s ASP 48 CO 0.49 -0.55 1.37 -1.28 -0.17 0.00 0.00 175.17 175.02 2dmd h SER 49 N 1.29 -0.77 -0.88 -0.34 0.87 -1.97 -3.10 113.55 108.65 2dmd h SER 49 Ca -0.42 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.32 2dmd h SER 49 Cb 1.26 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 63.27 2dmd h SER 49 CO 0.64 -0.53 -0.34 0.77 -0.53 0.00 0.00 176.83 176.85 2dmd h SER 50 N -0.86 -1.24 -1.21 6.23 4.64 -1.99 0.74 113.55 119.86 2dmd h SER 50 Ca -0.09 0.28 0.40 0.00 -0.47 0.00 0.00 61.79 61.92 2dmd h SER 50 Cb 0.67 0.67 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 2dmd h SER 50 CO 0.13 -0.30 0.75 -1.28 -0.87 0.00 0.00 176.83 175.27 2dmd h SER 51 N -0.04 0.31 0.04 4.97 0.87 -1.96 0.64 113.55 118.39 2dmd h SER 51 Ca 0.34 0.16 -0.23 0.00 -1.23 0.00 0.00 61.79 60.83 2dmd h SER 51 Cb 0.60 0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2dmd h SER 51 CO -0.91 -0.19 -0.91 0.25 -0.53 0.00 0.00 176.83 174.54 2dmd h LEU 52 N 0.13 0.72 -1.74 2.23 5.85 0.53 -3.24 115.31 119.79 2dmd h LEU 52 Ca 0.80 -0.79 0.38 0.00 0.84 0.00 0.00 57.88 59.11 2dmd h LEU 52 Cb 2.32 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 43.04 2dmd h LEU 52 CO -0.49 1.43 0.91 0.78 -0.34 0.00 0.00 178.44 180.73 2dmd h ASN 53 N 0.10 0.14 -0.20 1.25 4.21 0.98 0.61 115.58 122.67 2dmd h ASN 53 Ca -0.13 0.05 -0.14 0.00 1.21 0.00 0.00 56.30 57.29 2dmd h ASN 53 Cb 1.61 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.84 2dmd h ASN 53 CO 0.18 -0.02 -0.44 0.50 -1.29 0.00 0.00 177.43 176.36 2dmd h LYS 54 N 0.10 0.64 0.00 0.81 3.64 -1.51 -2.71 116.57 117.55 2dmd h LYS 54 Ca 0.69 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2dmd h LYS 54 Cb 2.42 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 34.29 2dmd h LYS 54 CO -0.15 1.05 -0.39 1.25 -2.27 0.00 0.00 179.45 178.94 2dmd h HIS 55 N 0.33 0.00 0.00 1.91 2.76 0.02 -2.66 115.15 117.51 2dmd h HIS 55 Ca 0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2dmd h HIS 55 Cb 1.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 2dmd h HIS 55 CO 0.09 0.39 -0.42 -0.07 -1.30 0.00 0.00 177.93 176.62 2dmd h LEU 56 N 0.00 0.00 0.70 0.26 3.38 -0.90 -3.29 115.31 115.46 2dmd h LEU 56 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dmd h LEU 56 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dmd h LEU 56 CO 0.05 0.42 -0.38 0.03 0.09 0.00 0.00 178.44 178.64 2dmd h ARG 57 N 0.00 -0.97 -0.71 1.13 3.08 -1.13 -2.63 114.38 113.14 2dmd h ARG 57 Ca -0.00 0.07 0.29 0.00 0.07 0.00 0.00 59.98 60.40 2dmd h ARG 57 Cb 1.04 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 31.19 2dmd h ARG 57 CO 0.05 -0.65 0.40 0.44 -1.07 0.00 0.00 179.97 179.15 2dmd n ILE 58 N -5.54 -0.27 -2.10 2.04 -5.35 -1.24 -3.36 119.36 103.55 2dmd n ILE 58 Ca -0.14 1.35 -0.28 0.00 -0.27 0.00 0.00 62.75 63.40 2dmd n ILE 58 Cb 0.42 -2.19 -0.05 0.00 -1.74 0.00 0.00 39.64 36.08 2dmd n ILE 58 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2dmd s HIS 59 N -4.98 1.92 0.13 4.28 3.76 -0.99 -4.49 115.29 114.92 2dmd s HIS 59 Ca -0.06 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2dmd s HIS 59 Cb 0.23 -4.10 0.00 0.00 1.11 0.00 0.00 32.58 29.81 2dmd s HIS 59 CO 0.53 -1.65 0.00 0.45 -0.85 0.00 0.00 174.74 173.22 2dmd n SER 60 N 13.53 0.73 -3.62 1.40 2.88 -1.21 -5.05 113.62 122.28 2dmd n SER 60 Ca 0.41 0.21 -0.22 0.00 -1.33 0.00 0.00 58.87 57.94 2dmd n SER 60 Cb 0.47 -0.14 0.06 0.00 -0.75 0.00 0.00 64.21 63.85 2dmd n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dmd n ASP 61 N -3.40 -2.95 -2.14 -3.46 9.92 -1.26 -4.88 116.55 108.38 2dmd n ASP 61 Ca 0.00 -0.70 -0.27 0.00 -0.53 0.00 0.00 54.79 53.30 2dmd n ASP 61 Cb 0.00 -4.57 0.07 0.00 -0.64 0.00 0.00 41.12 35.97 2dmd n ASP 61 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dmd n GLU 62 N -4.42 2.30 -4.77 -1.24 0.28 -1.26 -4.90 120.64 106.63 2dmd n GLU 62 Ca -0.19 -2.56 -0.33 0.00 -0.16 0.00 0.00 57.16 53.92 2dmd n GLU 62 Cb 0.63 -2.00 -0.15 0.00 1.43 0.00 0.00 31.44 31.35 2dmd n GLU 62 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2dmd s ARG 63 N -2.97 3.27 -0.02 3.44 3.00 -1.26 -4.97 118.95 119.43 2dmd s ARG 63 Ca 0.51 -0.74 -0.26 0.00 0.00 0.00 0.00 55.73 55.24 2dmd s ARG 63 Cb 0.40 -2.57 -0.20 0.00 0.00 0.00 0.00 34.95 32.57 2dmd s ARG 63 CO -0.00 0.14 1.25 -1.00 0.00 0.00 0.00 175.30 175.69 2dmd h PRO 64 N 6.90 -0.02 -6.15 3.54 0.13 -1.89 -3.44 132.00 131.07 2dmd h PRO 64 Ca -0.27 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.29 2dmd h PRO 64 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2dmd h PRO 64 CO 0.54 0.46 -0.07 -0.06 -0.23 0.00 0.00 178.00 178.64 2dmd s PHE 65 N -4.24 3.76 -0.07 1.56 0.08 -1.26 -5.08 117.98 112.73 2dmd s PHE 65 Ca -0.16 1.19 -0.06 0.00 0.12 0.00 0.00 56.93 58.03 2dmd s PHE 65 Cb 0.02 -2.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 2dmd s PHE 65 CO 0.66 0.55 0.19 0.15 -0.10 0.00 0.00 175.22 176.67 2dmd s LYS 66 N -0.91 0.19 0.45 0.44 3.01 -1.26 -3.45 119.74 118.21 2dmd s LYS 66 Ca 0.28 0.31 -0.21 0.00 -1.01 0.00 0.00 55.97 55.34 2dmd s LYS 66 Cb -0.19 0.03 -0.09 0.00 -1.01 0.00 0.00 37.83 36.57 2dmd s LYS 66 CO 0.17 -0.07 1.01 0.00 0.51 0.00 0.00 175.35 176.98 2dmd h GLN 68 N 1.88 -0.09 -0.45 0.00 1.08 -1.98 -3.38 115.11 112.17 2dmd h GLN 68 Ca -0.49 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 56.80 2dmd h GLN 68 Cb 1.21 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 28.56 2dmd h GLN 68 CO 0.60 -0.06 -0.39 0.82 -0.95 0.00 0.00 178.83 178.86 2dmd h ILE 69 N -0.90 0.15 -3.20 2.54 2.04 -2.00 -3.42 117.51 112.73 2dmd h ILE 69 Ca -0.01 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.21 2dmd h ILE 69 Cb 0.07 0.15 -0.15 0.00 -0.74 0.00 0.00 36.82 36.16 2dmd h ILE 69 CO 0.02 0.00 -0.73 0.00 0.00 0.00 0.00 178.15 177.43 2dmd n PRO 71 N 0.26 0.49 -0.80 0.00 -0.04 -1.26 -3.86 135.00 129.79 2dmd n PRO 71 Ca -0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 2dmd n PRO 71 Cb 0.54 -1.32 0.12 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.82 -1.82 -3.61 0.54 9.36 -1.26 -4.73 117.16 114.82 2dmd n TYR 72 Ca 0.07 0.24 -0.11 0.00 3.32 0.00 0.00 57.90 61.42 2dmd n TYR 72 Cb 0.03 -1.57 -0.06 0.00 -0.63 0.00 0.00 39.34 37.11 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 -2.21 -1.93 -0.06 2.98 0.00 -1.26 -2.52 121.76 116.76 2dmd s ALA 73 Ca 0.51 1.74 -0.00 0.00 0.00 0.00 0.00 51.96 54.21 2dmd s ALA 73 Cb -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2dmd s ALA 73 CO 0.68 -0.28 -0.02 -1.54 0.00 0.00 0.00 175.76 174.60 2dmd s SER 74 N -0.34 1.25 0.63 0.00 1.04 -1.22 -5.00 113.70 110.05 2dmd s SER 74 Ca -0.00 -0.11 0.20 0.00 0.48 0.00 0.00 55.95 56.52 2dmd s SER 74 Cb -0.03 -0.45 1.10 0.00 0.10 0.00 0.00 66.02 66.74 2dmd s SER 74 CO -0.02 -0.12 1.61 0.08 0.98 0.00 0.00 173.24 175.77 2dmd h ARG 75 N 7.73 0.00 -6.31 4.02 -0.00 -1.93 -3.39 114.38 114.50 2dmd h ARG 75 Ca -0.30 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.09 2dmd h ARG 75 Cb 1.14 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.99 2dmd h ARG 75 CO 0.38 0.00 -0.68 -0.80 -0.00 0.00 0.00 179.97 178.87 2dmd s ASN 76 N -3.93 4.48 -0.11 0.08 -0.87 -1.26 -4.85 114.94 108.48 2dmd s ASN 76 Ca -0.02 -0.57 -0.12 0.00 -1.57 0.00 0.00 52.86 50.57 2dmd s ASN 76 Cb 0.06 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.25 40.35 2dmd s ASN 76 CO 0.18 0.06 0.36 0.77 -2.57 0.00 0.00 177.10 175.90 2dmd h SER 77 N 2.42 -0.03 -0.95 -1.22 4.64 -2.00 -3.31 113.55 113.10 2dmd h SER 77 Ca -0.46 -0.38 0.27 0.00 -0.47 0.00 0.00 61.79 60.76 2dmd h SER 77 Cb 1.22 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 2dmd h SER 77 CO 0.58 0.64 0.44 0.77 -0.87 0.00 0.00 176.83 178.39 2dmd h SER 78 N -0.99 0.35 -0.74 4.97 4.64 -1.97 0.36 113.55 120.17 2dmd h SER 78 Ca -0.00 0.18 0.10 0.00 -0.47 0.00 0.00 61.79 61.59 2dmd h SER 78 Cb 0.41 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.59 2dmd h SER 78 CO 0.01 -0.09 0.38 1.56 -0.87 0.00 0.00 176.83 177.82 2dmd h GLN 79 N 0.33 0.62 -0.39 4.77 1.08 -1.94 -1.77 115.11 117.81 2dmd h GLN 79 Ca 0.64 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.73 2dmd h GLN 79 Cb 1.35 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2dmd h GLN 79 CO -0.59 0.41 -0.04 1.25 -0.95 0.00 0.00 178.83 178.91 2dmd h LEU 80 N 0.64 0.72 -0.50 1.46 5.85 -0.39 -1.71 115.31 121.38 2dmd h LEU 80 Ca 0.36 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2dmd h LEU 80 Cb 0.38 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2dmd h LEU 80 CO -0.27 0.89 0.09 0.74 -0.34 0.00 0.00 178.44 179.55 2dmd h THR 81 N 0.54 0.71 -0.11 1.05 2.02 -0.59 0.60 112.91 117.14 2dmd h THR 81 Ca 0.11 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2dmd h THR 81 Cb 0.54 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2dmd h THR 81 CO 0.03 0.04 -0.49 0.58 0.37 0.00 0.00 175.52 176.05 2dmd h VAL 82 N 0.23 1.34 -0.33 3.16 2.07 -1.31 -3.15 116.25 118.26 2dmd h VAL 82 Ca 0.25 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 2dmd h VAL 82 Cb 0.34 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2dmd h VAL 82 CO -0.33 0.51 0.08 -0.74 0.02 0.00 0.00 177.57 177.10 2dmd h HIS 83 N 0.22 0.56 -0.73 1.57 6.17 -0.24 -3.12 115.15 119.58 2dmd h HIS 83 Ca 0.01 -0.07 0.13 0.00 0.71 0.00 0.00 60.37 61.16 2dmd h HIS 83 Cb 0.94 -0.16 -0.14 0.00 2.52 0.00 0.00 27.41 30.58 2dmd h HIS 83 CO 0.02 0.58 -0.29 -0.07 0.71 0.00 0.00 177.93 178.88 2dmd h LEU 84 N 0.38 -1.03 -0.96 0.26 3.38 -0.89 0.13 115.31 116.58 2dmd h LEU 84 Ca 0.10 0.24 0.26 0.00 0.09 0.00 0.00 57.88 58.57 2dmd h LEU 84 Cb 0.30 0.57 -0.18 0.00 0.09 0.00 0.00 40.66 41.44 2dmd h LEU 84 CO 0.00 -0.28 -0.01 0.54 0.09 0.00 0.00 178.44 178.77 2dmd n ARG 85 N -5.47 -0.08 -0.33 1.13 3.00 -1.18 0.77 116.66 114.51 2dmd n ARG 85 Ca 0.08 1.45 0.23 0.00 -0.01 0.00 0.00 57.85 59.59 2dmd n ARG 85 Cb 0.38 -2.28 0.43 0.00 0.00 0.00 0.00 32.46 30.99 2dmd n ARG 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2dmd h SER 86 N 0.00 -0.01 -0.54 0.55 0.02 -0.86 -3.23 113.55 109.48 2dmd h SER 86 Ca 0.57 0.26 -0.30 0.00 -0.84 0.00 0.00 61.79 61.47 2dmd h SER 86 Cb 1.14 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 2dmd h SER 86 CO -0.92 -0.36 0.90 -1.00 -1.14 0.00 0.00 176.83 174.31 2dmd s HIS 87 N -5.76 1.86 -0.07 3.45 3.76 0.23 -4.88 115.29 113.89 2dmd s HIS 87 Ca -0.11 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 2dmd s HIS 87 Cb 0.31 -3.98 0.02 0.00 1.11 0.00 0.00 32.58 30.04 2dmd s HIS 87 CO 0.78 -1.38 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.17 2dmd s THR 88 N 10.98 0.60 -0.99 1.30 -1.32 -1.22 -4.89 115.64 120.10 2dmd s THR 88 Ca 0.70 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.96 2dmd s THR 88 Cb -0.03 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2dmd s THR 88 CO 0.08 0.27 0.75 0.61 -2.21 0.00 0.00 174.62 174.12 2dmd n GLY 89 N 4.53 -1.12 3.27 6.08 0.00 -1.26 -5.01 105.19 111.68 2dmd n GLY 89 Ca -0.17 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2dmd n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dmd s ASP 90 N -3.28 0.90 -0.52 1.61 2.15 -1.26 -5.06 116.67 111.21 2dmd s ASP 90 Ca 0.29 -1.34 0.02 0.00 0.43 0.00 0.00 52.55 51.95 2dmd s ASP 90 Cb -0.10 0.21 0.44 0.00 -0.30 0.00 0.00 42.92 43.18 2dmd s ASP 90 CO 0.84 -0.73 1.63 -1.54 -0.17 0.00 0.00 175.17 175.20 2dmd n SER 91 N -0.36 6.36 0.00 -0.34 3.41 -1.26 -5.07 113.62 116.36 2dmd n SER 91 Ca -0.01 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2dmd n SER 91 Cb 0.66 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2dmd n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmd n GLY 92 N -0.76 0.55 3.35 5.00 0.00 -1.26 -4.71 105.19 107.36 2dmd n GLY 92 Ca 0.53 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2dmd n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmd n PRO 93 N 0.00 -3.06 -2.69 1.61 -0.04 -1.26 -4.98 135.00 124.58 2dmd n PRO 93 Ca 0.00 -1.67 -0.42 0.00 -0.04 0.00 0.00 63.50 61.36 2dmd n PRO 93 Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 2dmd n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmd s SER 94 N -4.32 7.26 -0.04 3.54 0.15 -1.26 -4.95 113.70 114.07 2dmd s SER 94 Ca 0.68 1.56 -0.24 0.00 0.70 0.00 0.00 55.95 58.64 2dmd s SER 94 Cb -0.07 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.46 2dmd s SER 94 CO 0.52 -0.42 1.08 0.77 1.20 0.00 0.00 173.24 176.39 2dmd h SER 95 N 7.06 0.20 0.00 5.45 4.64 -1.93 -3.56 113.55 125.40 2dmd h SER 95 Ca -0.33 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 2dmd h SER 95 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2dmd h SER 95 CO 0.84 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 178.30