#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 -0.59 -0.22 1.61 0.01 -1.26 -5.17 113.70 108.08 2dmd s SER 2 Ca 0.00 0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.70 2dmd s SER 2 Cb 0.00 0.49 0.06 0.00 0.21 0.00 0.00 66.02 66.78 2dmd s SER 2 CO 0.00 -0.57 0.57 -0.55 0.41 0.00 0.00 173.24 173.10 2dmd s SER 3 N -1.24 -0.63 -0.29 2.44 0.15 -1.26 -5.14 113.70 107.73 2dmd s SER 3 Ca -0.08 1.17 0.02 0.00 0.70 0.00 0.00 55.95 57.76 2dmd s SER 3 Cb -0.00 1.16 0.16 0.00 -1.71 0.00 0.00 66.02 65.63 2dmd s SER 3 CO 0.07 -0.20 0.41 -0.83 1.20 0.00 0.00 173.24 173.89 2dmd s GLY 4 N 0.55 -0.58 -0.10 9.45 0.00 -1.26 -5.14 107.32 110.25 2dmd s GLY 4 Ca -0.02 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.91 2dmd s GLY 4 CO -0.03 3.06 -0.17 -0.56 0.00 0.00 0.00 173.10 175.41 2dmd s SER 5 N 2.50 3.71 -0.10 1.64 0.01 -1.26 -5.11 113.70 115.09 2dmd s SER 5 Ca 0.10 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.99 2dmd s SER 5 Cb -0.12 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.83 2dmd s SER 5 CO -0.29 0.21 -0.07 -0.55 0.41 0.00 0.00 173.24 172.95 2dmd s SER 6 N 0.05 2.00 -0.23 2.44 0.15 -1.26 -5.09 113.70 111.76 2dmd s SER 6 Ca -0.07 -0.27 -0.33 0.00 0.70 0.00 0.00 55.95 55.98 2dmd s SER 6 Cb -0.15 -0.78 -0.10 0.00 -1.71 0.00 0.00 66.02 63.28 2dmd s SER 6 CO 0.05 -0.10 2.08 0.61 1.20 0.00 0.00 173.24 177.08 2dmd n GLY 7 N 4.74 0.96 3.75 9.45 0.00 -1.26 -4.94 105.19 117.90 2dmd n GLY 7 Ca -0.14 0.87 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 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 5.46 1.82 -0.40 1.61 0.04 -1.26 -5.03 135.00 137.24 2dmd s PRO 8 Ca 1.01 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 2dmd s PRO 8 Cb -0.68 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.11 2dmd s PRO 8 CO 0.47 -1.91 0.19 -1.01 0.04 0.00 0.00 177.00 174.78 2dmd s HIS 9 N -2.92 3.58 -0.10 0.56 3.76 -1.26 -5.07 115.29 113.83 2dmd s HIS 9 Ca 0.62 -2.40 0.03 0.00 -0.15 0.00 0.00 55.06 53.16 2dmd s HIS 9 Cb -0.17 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.37 2dmd s HIS 9 CO 0.56 -0.96 -0.21 0.21 -0.85 0.00 0.00 174.74 173.49 2dmd s LYS 10 N 1.14 2.78 1.08 1.40 2.47 -1.26 -3.43 119.74 123.92 2dmd s LYS 10 Ca 0.08 -0.78 -0.19 0.00 -1.56 0.00 0.00 55.97 53.51 2dmd s LYS 10 Cb -0.22 -2.16 0.07 0.00 -1.46 0.00 0.00 37.83 34.06 2dmd s LYS 10 CO -0.04 0.10 -0.18 0.00 0.16 0.00 0.00 175.35 175.39 2dmd n GLU 12 N -1.34 2.45 -0.11 0.00 2.13 -1.26 -4.15 120.64 118.36 2dmd n GLU 12 Ca 0.01 -0.11 -0.15 0.00 0.66 0.00 0.00 57.16 57.57 2dmd n GLU 12 Cb 0.59 -0.48 -0.10 0.00 0.27 0.00 0.00 31.44 31.72 2dmd n GLU 12 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2dmd n VAL 13 N -0.38 1.26 -0.01 6.31 0.24 -1.26 -4.65 118.33 119.83 2dmd n VAL 13 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2dmd n VAL 13 Cb 0.04 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 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 -0.09 -0.50 3.76 0.00 0.00 -1.26 -4.91 105.19 102.20 2dmd n GLY 15 Ca 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.24 4.56 0.22 1.61 2.47 -1.26 -4.75 119.74 117.34 2dmd s LYS 16 Ca 0.09 1.76 -0.24 0.00 -1.56 0.00 0.00 55.97 56.02 2dmd s LYS 16 Cb -0.05 -3.08 -0.09 0.00 -1.46 0.00 0.00 37.83 33.16 2dmd s LYS 16 CO 0.11 0.15 0.81 0.00 0.16 0.00 0.00 175.35 176.58 2dmd s PHE 18 N -1.35 1.04 0.08 0.00 0.08 -1.22 -5.01 117.98 111.60 2dmd s PHE 18 Ca 0.41 -1.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.20 2dmd s PHE 18 Cb -0.21 -0.20 -0.00 0.00 -0.57 0.00 0.00 43.02 42.04 2dmd s PHE 18 CO 0.25 -0.99 -0.02 0.45 -0.10 0.00 0.00 175.22 174.81 2dmd n SER 19 N -1.03 1.12 -4.85 1.36 2.88 -1.26 -4.60 113.62 107.25 2dmd n SER 19 Ca 0.01 0.15 -0.34 0.00 -1.33 0.00 0.00 58.87 57.36 2dmd n SER 19 Cb 0.62 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.68 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dmd s ARG 20 N -2.01 4.02 0.12 -1.46 0.52 -1.26 -4.72 118.95 114.16 2dmd s ARG 20 Ca -0.02 0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 55.69 2dmd s ARG 20 Cb 0.00 -2.63 -0.08 0.00 0.52 0.00 0.00 34.95 32.76 2dmd s ARG 20 CO 0.02 0.28 1.43 1.57 0.02 0.00 0.00 175.30 178.62 2dmd h LYS 21 N 2.73 0.86 -0.71 3.54 2.10 -1.97 -3.24 116.57 119.89 2dmd h LYS 21 Ca -0.48 -0.50 0.13 0.00 -2.00 0.00 0.00 60.65 57.81 2dmd h LYS 21 Cb 1.18 0.04 -0.13 0.00 -0.90 0.00 0.00 32.23 32.42 2dmd h LYS 21 CO 0.66 1.14 -0.25 -0.44 -2.00 0.00 0.00 179.45 178.56 2dmd h ASP 22 N 0.65 -0.90 -0.86 7.07 3.32 -2.01 0.28 116.42 123.97 2dmd h ASP 22 Ca 0.04 0.23 0.19 0.00 0.02 0.00 0.00 57.03 57.50 2dmd h ASP 22 Cb 1.04 0.52 -0.11 0.00 0.22 0.00 0.00 39.33 40.99 2dmd h ASP 22 CO 0.10 -0.27 0.39 0.11 -1.72 0.00 0.00 179.24 177.85 2dmd h LYS 23 N -0.06 0.45 0.07 3.56 1.57 -1.98 -1.07 116.57 119.11 2dmd h LYS 23 Ca 0.31 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2dmd h LYS 23 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2dmd h LYS 23 CO -0.75 0.30 -0.10 1.25 -0.57 0.00 0.00 179.45 179.58 2dmd h LEU 24 N 0.46 -0.28 -0.51 2.94 5.85 -0.56 0.37 115.31 123.59 2dmd h LEU 24 Ca 0.51 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.31 2dmd h LEU 24 Cb 0.89 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 2dmd h LEU 24 CO -0.47 -0.15 -0.30 0.29 -0.34 0.00 0.00 178.44 177.46 2dmd n LYS 25 N -5.22 -0.23 0.03 1.25 5.02 -0.41 -0.55 118.16 118.04 2dmd n LYS 25 Ca -0.07 1.26 -0.04 0.00 -2.02 0.00 0.00 58.31 57.45 2dmd n LYS 25 Cb 0.15 -1.87 0.19 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.28 -0.27 -0.18 2.02 -1.48 -2.80 112.91 111.48 2dmd h THR 26 Ca 0.08 -1.36 0.08 0.00 0.77 0.00 0.00 66.41 65.98 2dmd h THR 26 Cb 0.21 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2dmd h THR 26 CO -0.48 0.43 0.65 -0.74 0.37 0.00 0.00 175.52 175.75 2dmd h HIS 27 N 0.39 0.00 0.00 3.16 6.17 0.23 1.17 115.15 126.28 2dmd h HIS 27 Ca 0.05 0.00 -0.25 0.00 0.71 0.00 0.00 60.37 60.88 2dmd h HIS 27 Cb 0.73 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.62 2dmd h HIS 27 CO 0.02 0.00 -1.45 0.52 0.71 0.00 0.00 177.93 177.73 2dmd h MET 28 N 0.00 0.00 0.00 5.26 2.86 -1.11 -3.30 114.93 118.64 2dmd h MET 28 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2dmd h MET 28 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2dmd h MET 28 CO -0.00 0.59 0.00 0.54 1.06 0.00 0.00 176.91 179.10 2dmd n ARG 29 N -3.11 0.01 -0.16 1.72 1.74 0.40 -0.36 116.66 116.91 2dmd n ARG 29 Ca -0.11 0.39 0.05 0.00 -0.77 0.00 0.00 57.85 57.41 2dmd n ARG 29 Cb 0.98 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.10 3.03 -2.83 0.00 8.25 0.51 -4.87 115.22 119.21 2dmd n HIS 31 Ca 0.10 -3.14 -0.35 0.00 -0.26 0.00 0.00 57.72 54.07 2dmd n HIS 31 Cb 0.46 -0.95 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 2dmd n HIS 31 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dmd n THR 32 N 0.47 4.63 -0.76 1.59 -2.24 -1.26 -5.04 114.28 111.66 2dmd n THR 32 Ca 0.34 -5.78 0.00 0.00 -2.27 0.00 0.00 64.05 56.34 2dmd n THR 32 Cb 0.33 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 2dmd n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmd n GLY 33 N 0.01 3.30 1.64 3.38 0.00 -1.26 -3.20 105.19 109.06 2dmd n GLY 33 Ca 0.38 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 1.79 -3.42 1.61 0.24 -1.26 -4.91 118.33 112.38 2dmd n VAL 34 Ca 0.00 -3.16 -0.33 0.00 -2.04 0.00 0.00 64.34 58.81 2dmd n VAL 34 Cb 0.00 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.62 2.95 0.25 7.34 4.01 -1.20 -4.86 118.16 126.04 2dmd n LYS 35 Ca 0.23 -4.59 0.14 0.00 -0.51 0.00 0.00 58.31 53.58 2dmd n LYS 35 Cb 0.88 -2.36 0.61 0.00 -0.51 0.00 0.00 35.03 33.65 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 5.02 0.00 -5.58 1.97 0.13 -1.86 -3.42 132.00 128.25 2dmd h PRO 36 Ca 0.19 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dmd h PRO 36 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 2dmd h PRO 36 CO 0.95 0.11 0.54 0.71 -0.23 0.00 0.00 178.00 180.08 2dmd s TYR 37 N -3.74 1.50 -0.10 1.56 2.02 -1.25 -4.90 117.35 112.44 2dmd s TYR 37 Ca 0.00 1.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.93 2dmd s TYR 37 Cb 0.10 -3.79 0.02 0.00 -0.40 0.00 0.00 41.96 37.89 2dmd s TYR 37 CO 0.59 -1.75 -0.13 0.15 -1.57 0.00 0.00 175.55 172.84 2dmd s LYS 38 N 7.81 1.98 0.24 -0.62 1.02 -1.26 -1.46 119.74 127.45 2dmd s LYS 38 Ca 0.80 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 56.00 2dmd s LYS 38 Cb -0.10 -1.73 -0.14 0.00 -0.52 0.00 0.00 37.83 35.34 2dmd s LYS 38 CO 0.05 -0.08 1.31 0.00 -0.92 0.00 0.00 175.35 175.71 2dmd h LYS 40 N 3.70 1.12 0.00 0.00 3.11 -1.99 -3.31 116.57 119.20 2dmd h LYS 40 Ca -0.44 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2dmd h LYS 40 Cb 1.30 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2dmd h LYS 40 CO 0.72 0.74 -0.44 2.41 -2.81 0.00 0.00 179.45 180.07 2dmd n THR 41 N -4.50 1.15 -1.18 1.00 -1.04 -1.26 -4.97 114.28 103.47 2dmd n THR 41 Ca 0.15 0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 62.14 2dmd n THR 41 Cb 0.19 -2.22 0.16 0.00 -1.82 0.00 0.00 70.33 66.64 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmd n ASP 43 N -4.06 5.72 -4.78 0.00 8.00 -1.26 -4.00 116.55 116.18 2dmd n ASP 43 Ca 0.06 -3.77 -0.38 0.00 0.71 0.00 0.00 54.79 51.41 2dmd n ASP 43 Cb 0.56 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 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 -3.65 3.66 -0.18 1.24 5.04 -1.26 -4.97 117.35 117.23 2dmd s TYR 44 Ca 0.56 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 56.22 2dmd s TYR 44 Cb 0.45 -2.49 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 2dmd s TYR 44 CO 0.02 0.41 -0.09 0.00 -1.34 0.00 0.00 175.55 174.54 2dmd s ALA 45 N -0.30 2.70 -0.04 3.97 0.00 -1.26 -3.14 121.76 123.69 2dmd s ALA 45 Ca 0.27 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2dmd s ALA 45 Cb -0.17 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2dmd s ALA 45 CO 0.14 -0.16 -0.24 0.00 0.00 0.00 0.00 175.76 175.51 2dmd s ALA 46 N 1.01 2.23 -0.31 0.00 0.00 -0.54 -5.02 121.76 119.15 2dmd s ALA 46 Ca -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2dmd s ALA 46 Cb -0.15 -0.65 0.38 0.00 0.00 0.00 0.00 23.12 22.70 2dmd s ALA 46 CO -0.01 0.49 1.67 0.00 0.00 0.00 0.00 175.76 177.91 2dmd n ALA 47 N 2.60 4.64 -3.56 0.00 0.00 -1.26 -3.85 120.51 119.07 2dmd n ALA 47 Ca -0.17 -1.86 -0.16 0.00 0.00 0.00 0.00 53.44 51.25 2dmd n ALA 47 Cb 0.51 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2dmd n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dmd s ASP 48 N -0.40 -0.68 0.23 0.00 -1.08 -1.26 -5.03 116.67 108.44 2dmd s ASP 48 Ca 0.36 0.97 -0.05 0.00 -0.52 0.00 0.00 52.55 53.31 2dmd s ASP 48 Cb 0.30 0.87 0.22 0.00 -1.46 0.00 0.00 42.92 42.85 2dmd s ASP 48 CO 0.05 -0.47 1.71 -1.28 0.52 0.00 0.00 175.17 175.70 2dmd h SER 49 N 3.71 0.90 -0.02 -0.34 0.87 -2.00 -3.02 113.55 113.64 2dmd h SER 49 Ca -0.28 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 2dmd h SER 49 Cb 1.15 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2dmd h SER 49 CO 0.27 0.95 -0.01 0.28 -0.53 0.00 0.00 176.83 177.78 2dmd h SER 50 N 0.86 0.05 -0.99 6.23 0.02 -1.99 -2.34 113.55 115.39 2dmd h SER 50 Ca 0.16 -0.40 0.27 0.00 -0.84 0.00 0.00 61.79 60.98 2dmd h SER 50 Cb 0.49 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 62.88 2dmd h SER 50 CO 0.02 0.44 0.56 0.28 -1.14 0.00 0.00 176.83 177.00 2dmd h SER 51 N -0.34 0.57 0.40 3.07 0.02 -1.95 0.54 113.55 115.86 2dmd h SER 51 Ca 0.01 0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 2dmd h SER 51 Cb 0.42 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2dmd h SER 51 CO 0.00 0.00 -0.79 0.25 -1.14 0.00 0.00 176.83 175.16 2dmd h LEU 52 N 0.47 0.38 -0.26 5.07 5.85 -1.45 -3.04 115.31 122.32 2dmd h LEU 52 Ca 0.67 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 2dmd h LEU 52 Cb 1.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2dmd h LEU 52 CO -0.53 1.02 -0.01 0.78 -0.34 0.00 0.00 178.44 179.36 2dmd h ASN 53 N 0.19 0.45 0.15 1.25 -0.26 0.50 -2.20 115.58 115.67 2dmd h ASN 53 Ca -0.04 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.37 2dmd h ASN 53 Cb 1.38 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2dmd h ASN 53 CO 0.13 0.66 -0.08 0.07 -1.06 0.00 0.00 177.43 177.15 2dmd h LYS 54 N 0.23 0.00 -0.02 0.81 5.09 -0.85 -2.28 116.57 119.55 2dmd h LYS 54 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.55 2dmd h LYS 54 Cb 0.43 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.78 2dmd h LYS 54 CO 0.01 0.08 -1.02 1.25 -2.09 0.00 0.00 179.45 177.68 2dmd h HIS 55 N 0.00 1.05 -0.02 0.07 2.76 -1.36 -3.13 115.15 114.51 2dmd h HIS 55 Ca -0.00 -0.56 0.01 0.00 -2.20 0.00 0.00 60.37 57.62 2dmd h HIS 55 Cb 0.17 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 2dmd h HIS 55 CO 0.00 1.40 0.10 -0.07 -1.30 0.00 0.00 177.93 178.05 2dmd h LEU 56 N 0.41 0.00 1.01 0.26 3.38 -0.80 -2.71 115.31 116.85 2dmd h LEU 56 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2dmd h LEU 56 Cb 1.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.43 2dmd h LEU 56 CO 0.20 0.00 -0.48 0.03 0.09 0.00 0.00 178.44 178.28 2dmd h ARG 57 N 0.00 -1.30 -0.81 1.13 3.08 -1.50 -2.79 114.38 112.19 2dmd h ARG 57 Ca 0.01 0.09 0.32 0.00 0.07 0.00 0.00 59.98 60.46 2dmd h ARG 57 Cb 0.21 0.30 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 2dmd h ARG 57 CO -0.00 -0.87 0.35 0.44 -1.07 0.00 0.00 179.97 178.82 2dmd n ILE 58 N -5.64 -0.34 -1.95 2.04 -5.35 -1.02 -4.04 119.36 103.07 2dmd n ILE 58 Ca -0.17 1.67 -0.43 0.00 -0.27 0.00 0.00 62.75 63.55 2dmd n ILE 58 Cb 0.53 -2.66 -0.03 0.00 -1.74 0.00 0.00 39.64 35.75 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 -5.34 1.75 0.62 4.28 3.76 -1.05 -4.98 115.29 114.32 2dmd s HIS 59 Ca -0.08 0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 55.35 2dmd s HIS 59 Cb 0.27 -4.08 0.04 0.00 1.11 0.00 0.00 32.58 29.93 2dmd s HIS 59 CO 0.63 -3.24 0.88 -1.54 -0.85 0.00 0.00 174.74 170.62 2dmd s SER 60 N 5.97 5.09 0.11 1.40 1.04 -1.26 -5.02 113.70 121.03 2dmd s SER 60 Ca 0.82 0.21 0.09 0.00 0.48 0.00 0.00 55.95 57.55 2dmd s SER 60 Cb -0.25 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 2dmd s SER 60 CO 0.33 -1.33 -0.17 -1.81 0.98 0.00 0.00 173.24 171.24 2dmd s ASP 61 N -4.46 3.92 -0.62 7.02 1.11 -1.26 -5.09 116.67 117.28 2dmd s ASP 61 Ca 0.58 -0.54 -0.01 0.00 0.18 0.00 0.00 52.55 52.76 2dmd s ASP 61 Cb -0.11 -0.57 0.16 0.00 1.07 0.00 0.00 42.92 43.47 2dmd s ASP 61 CO 0.41 0.18 0.43 -1.61 1.18 0.00 0.00 175.17 175.76 2dmd s GLU 62 N -2.10 2.49 -0.50 8.23 8.01 -1.26 -5.00 118.70 128.56 2dmd s GLU 62 Ca 0.18 -2.64 0.03 0.00 0.01 0.00 0.00 54.97 52.56 2dmd s GLU 62 Cb -0.11 -3.65 0.14 0.00 -4.31 0.00 0.00 34.13 26.21 2dmd s GLU 62 CO 0.10 -1.17 0.29 1.03 0.01 0.00 0.00 175.26 175.53 2dmd s ARG 63 N -0.26 1.65 0.24 1.61 0.52 -1.26 -4.63 118.95 116.83 2dmd s ARG 63 Ca 0.18 -2.41 0.02 0.00 -0.52 0.00 0.00 55.73 53.00 2dmd s ARG 63 Cb -0.20 -2.72 0.29 0.00 0.52 0.00 0.00 34.95 32.84 2dmd s ARG 63 CO -0.03 -1.18 1.62 -1.00 0.02 0.00 0.00 175.30 174.72 2dmd h PRO 64 N 6.36 0.42 -6.36 3.54 0.13 -1.86 -3.44 132.00 130.80 2dmd h PRO 64 Ca 0.02 -0.22 -0.55 0.00 -0.87 0.00 0.00 66.00 64.38 2dmd h PRO 64 Cb 0.89 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2dmd h PRO 64 CO 0.57 0.78 0.41 -0.06 -0.23 0.00 0.00 178.00 179.47 2dmd s PHE 65 N -4.14 3.62 -0.07 1.56 0.08 -1.22 -5.01 117.98 112.80 2dmd s PHE 65 Ca -0.06 1.66 -0.04 0.00 0.12 0.00 0.00 56.93 58.61 2dmd s PHE 65 Cb 0.13 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.48 2dmd s PHE 65 CO 0.81 -0.06 0.16 0.15 -0.10 0.00 0.00 175.22 176.18 2dmd s LYS 66 N 1.25 0.15 0.25 0.44 1.02 -1.26 -1.39 119.74 120.20 2dmd s LYS 66 Ca 0.51 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.51 2dmd s LYS 66 Cb -0.20 -0.04 -0.10 0.00 -0.52 0.00 0.00 37.83 36.97 2dmd s LYS 66 CO 0.25 -0.09 1.39 0.00 -0.92 0.00 0.00 175.35 175.99 2dmd h GLN 68 N 4.81 0.42 0.08 0.00 4.20 -1.99 -3.33 115.11 119.30 2dmd h GLN 68 Ca -0.46 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 57.93 2dmd h GLN 68 Cb 1.22 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2dmd h GLN 68 CO 0.75 0.94 -0.04 0.82 -0.67 0.00 0.00 178.83 180.63 2dmd h ILE 69 N -0.01 1.15 -3.19 2.54 2.04 -1.99 -3.45 117.51 114.60 2dmd h ILE 69 Ca -0.01 -0.87 -0.64 0.00 1.00 0.00 0.00 64.86 64.34 2dmd h ILE 69 Cb 0.98 1.70 -0.09 0.00 -0.74 0.00 0.00 36.82 38.66 2dmd h ILE 69 CO 0.07 0.21 -0.60 0.00 0.00 0.00 0.00 178.15 177.83 2dmd n PRO 71 N 0.55 0.49 -0.65 0.00 -0.04 -1.26 -3.83 135.00 130.25 2dmd n PRO 71 Ca -0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 2dmd n PRO 71 Cb 0.52 -1.39 0.18 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.89 -1.23 -3.59 0.54 9.36 -1.26 -4.82 117.16 115.27 2dmd n TYR 72 Ca 0.09 0.11 -0.15 0.00 3.32 0.00 0.00 57.90 61.27 2dmd n TYR 72 Cb 0.04 -1.67 -0.07 0.00 -0.63 0.00 0.00 39.34 37.01 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 -2.34 -1.79 0.33 2.98 0.00 -1.26 -2.65 121.76 117.03 2dmd s ALA 73 Ca 0.60 1.73 0.05 0.00 0.00 0.00 0.00 51.96 54.34 2dmd s ALA 73 Cb -0.18 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2dmd s ALA 73 CO 0.66 -0.35 0.22 -1.54 0.00 0.00 0.00 175.76 174.75 2dmd s SER 74 N -0.28 1.71 -0.25 0.00 1.04 -0.49 -5.01 113.70 110.42 2dmd s SER 74 Ca -0.04 -1.68 -0.01 0.00 0.48 0.00 0.00 55.95 54.70 2dmd s SER 74 Cb -0.03 0.51 -0.15 0.00 0.10 0.00 0.00 66.02 66.45 2dmd s SER 74 CO 0.04 -0.99 -0.25 0.54 0.98 0.00 0.00 173.24 173.56 2dmd n ARG 75 N -0.64 0.62 -3.80 4.02 3.00 -1.26 -3.44 116.66 115.16 2dmd n ARG 75 Ca 0.04 0.16 -0.37 0.00 -0.01 0.00 0.00 57.85 57.67 2dmd n ARG 75 Cb 0.64 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.54 2dmd n ARG 75 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2dmd s ASN 76 N -6.62 6.39 0.33 0.55 0.01 -1.26 -4.72 114.94 109.62 2dmd s ASN 76 Ca -0.35 0.47 0.21 0.00 -0.71 0.00 0.00 52.86 52.48 2dmd s ASN 76 Cb 0.10 -2.10 1.14 0.00 0.41 0.00 0.00 41.25 40.80 2dmd s ASN 76 CO 0.56 0.34 1.63 -1.54 -1.51 0.00 0.00 177.10 176.58 2dmd n SER 77 N 2.37 0.54 0.04 -1.22 3.41 -1.26 -1.38 113.62 116.13 2dmd n SER 77 Ca -0.18 0.74 -0.20 0.00 -0.26 0.00 0.00 58.87 58.97 2dmd n SER 77 Cb 0.54 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.57 2dmd n SER 77 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmd h SER 78 N 0.00 0.71 -0.84 4.04 0.02 -2.00 -2.95 113.55 112.53 2dmd h SER 78 Ca 0.00 -0.80 0.06 0.00 -0.84 0.00 0.00 61.79 60.21 2dmd h SER 78 Cb 0.07 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 2dmd h SER 78 CO 0.00 1.42 0.51 1.56 -1.14 0.00 0.00 176.83 179.19 2dmd h GLN 79 N 0.08 0.91 -0.21 3.45 4.20 -1.64 -2.31 115.11 119.60 2dmd h GLN 79 Ca -0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2dmd h GLN 79 Cb 1.61 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2dmd h GLN 79 CO 0.18 0.60 0.01 1.25 -0.67 0.00 0.00 178.83 180.20 2dmd h LEU 80 N 0.94 0.35 -0.48 1.46 5.85 -1.62 -2.20 115.31 119.60 2dmd h LEU 80 Ca 0.36 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2dmd h LEU 80 Cb 0.17 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2dmd h LEU 80 CO -0.17 0.55 -0.11 0.74 -0.34 0.00 0.00 178.44 179.11 2dmd h THR 81 N 0.13 0.53 -0.47 1.05 2.02 -1.26 0.75 112.91 115.65 2dmd h THR 81 Ca 0.06 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 2dmd h THR 81 Cb 0.37 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2dmd h THR 81 CO 0.01 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.54 2dmd h VAL 82 N 0.01 1.22 0.10 3.16 2.07 -1.38 -3.02 116.25 118.41 2dmd h VAL 82 Ca 0.23 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2dmd h VAL 82 Cb 0.36 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2dmd h VAL 82 CO -0.49 0.31 -0.05 -0.74 0.02 0.00 0.00 177.57 176.62 2dmd h HIS 83 N 0.71 -0.12 -0.52 1.57 6.17 -0.39 -3.12 115.15 119.44 2dmd h HIS 83 Ca 0.15 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.33 2dmd h HIS 83 Cb 0.35 0.04 -0.11 0.00 2.52 0.00 0.00 27.41 30.21 2dmd h HIS 83 CO 0.02 0.06 -0.25 -0.07 0.71 0.00 0.00 177.93 178.40 2dmd h LEU 84 N -0.28 -0.86 -0.86 0.26 3.38 -0.82 -0.09 115.31 116.04 2dmd h LEU 84 Ca -0.01 0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.43 2dmd h LEU 84 Cb 0.24 0.46 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 2dmd h LEU 84 CO 0.02 -0.26 0.17 0.54 0.09 0.00 0.00 178.44 179.00 2dmd n ARG 85 N -5.42 -0.06 -0.29 1.13 1.74 -1.16 0.66 116.66 113.25 2dmd n ARG 85 Ca 0.04 1.26 0.03 0.00 -0.77 0.00 0.00 57.85 58.41 2dmd n ARG 85 Cb 0.33 -2.08 0.10 0.00 -1.02 0.00 0.00 32.46 29.80 2dmd n ARG 85 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dmd h SER 86 N 0.00 -0.78 -0.74 0.55 0.87 -1.09 0.79 113.55 113.15 2dmd h SER 86 Ca 0.59 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 61.45 2dmd h SER 86 Cb 1.36 0.52 -0.04 0.00 -0.44 0.00 0.00 62.40 63.80 2dmd h SER 86 CO -0.76 -0.28 0.49 0.45 -0.53 0.00 0.00 176.83 176.20 2dmd h HIS 87 N -0.00 0.82 -1.82 2.24 3.86 0.09 -3.44 115.15 116.90 2dmd h HIS 87 Ca 0.40 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2dmd h HIS 87 Cb 0.61 -0.27 -0.23 0.00 1.06 0.00 0.00 27.41 28.58 2dmd h HIS 87 CO -0.66 0.45 0.29 -0.08 0.86 0.00 0.00 177.93 178.80 2dmd s THR 88 N -5.73 0.00 0.09 2.45 -1.32 0.28 -5.18 115.64 106.22 2dmd s THR 88 Ca -0.10 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.36 2dmd s THR 88 Cb 0.19 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 2dmd s THR 88 CO 0.78 0.00 0.14 0.61 -2.21 0.00 0.00 174.62 173.94 2dmd n GLY 89 N 2.04 2.45 3.64 6.08 0.00 -1.20 -4.16 105.19 114.04 2dmd n GLY 89 Ca -0.14 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.50 6.32 -0.42 1.61 1.01 -1.26 -4.94 116.67 117.49 2dmd s ASP 90 Ca 0.06 2.18 0.02 0.00 0.71 0.00 0.00 52.55 55.51 2dmd s ASP 90 Cb -0.01 -2.53 0.15 0.00 1.01 0.00 0.00 42.92 41.54 2dmd s ASP 90 CO 0.04 -1.22 0.26 -0.44 0.21 0.00 0.00 175.17 174.02 2dmd s SER 91 N 4.76 3.08 0.00 0.27 0.01 -1.26 -5.12 113.70 115.44 2dmd s SER 91 Ca 0.83 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 55.46 2dmd s SER 91 Cb -0.34 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2dmd s SER 91 CO 0.34 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2dmd n GLY 92 N 3.49 -1.89 3.73 3.44 0.00 -1.26 -5.02 105.19 107.68 2dmd n GLY 92 Ca 0.14 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2dmd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 93 N 0.00 1.50 -0.13 1.61 0.04 -1.26 -5.06 135.00 131.71 2dmd s PRO 93 Ca 0.00 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2dmd s PRO 93 Cb 0.00 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.74 2dmd s PRO 93 CO 0.00 -2.09 -0.07 -1.54 0.04 0.00 0.00 177.00 173.33 2dmd s SER 94 N -3.42 2.34 0.00 6.66 1.04 -1.26 -4.98 113.70 114.08 2dmd s SER 94 Ca 0.63 -0.39 0.25 0.00 0.48 0.00 0.00 55.95 56.92 2dmd s SER 94 Cb -0.18 -0.86 0.49 0.00 0.10 0.00 0.00 66.02 65.57 2dmd s SER 94 CO 0.57 -0.13 1.42 -1.54 0.98 0.00 0.00 173.24 174.54 2dmd n SER 95 N 4.93 2.24 -0.72 7.02 3.41 -1.26 -5.36 113.62 123.88 2dmd n SER 95 Ca -0.12 -1.69 0.09 0.00 -0.26 0.00 0.00 58.87 56.89 2dmd n SER 95 Cb 0.49 0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.59 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49