#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr s SER 2 N 0.00 -0.18 -0.66 4.04 1.04 -1.26 -2.31 113.70 114.37 1pmr s SER 2 Ca 0.00 -0.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.97 1pmr s SER 2 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1pmr s SER 2 CO 0.00 -0.60 1.90 -0.69 0.98 0.00 0.00 173.24 174.82 1pmr s VAL 3 N -2.92 3.36 -1.05 5.02 1.01 -1.16 -4.69 120.40 119.97 1pmr s VAL 3 Ca 0.11 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1pmr s VAL 3 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1pmr s VAL 3 CO -0.03 -0.88 1.86 -1.81 0.00 0.00 0.00 175.10 174.25 1pmr s ASP 4 N 8.24 5.42 -0.20 3.32 1.01 -1.26 -2.97 116.67 130.23 1pmr s ASP 4 Ca 0.69 -1.28 -0.28 0.00 0.71 0.00 0.00 52.55 52.39 1pmr s ASP 4 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1pmr s ASP 4 CO 0.17 -2.57 0.98 -0.51 0.21 0.00 0.00 175.17 173.45 1pmr s ILE 5 N 9.28 4.74 0.00 0.77 -1.16 -1.05 -4.99 121.20 128.80 1pmr s ILE 5 Ca 0.65 1.92 0.00 0.00 -0.51 0.00 0.00 60.65 62.72 1pmr s ILE 5 Cb -0.03 -4.26 0.00 0.00 0.61 0.00 0.00 42.46 38.78 1pmr s ILE 5 CO 0.04 -0.11 0.00 0.00 -2.81 0.00 0.00 174.94 172.06 1pmr n LEU 6 N 5.93 0.00 -2.97 8.50 -0.00 -1.25 0.11 117.00 127.31 1pmr n LEU 6 Ca 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.92 1pmr n LEU 6 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.87 1pmr n LEU 6 CO 0.51 0.00 -0.10 0.52 -0.00 0.00 0.00 177.39 178.32 1pmr n VAL 7 N 0.00 0.89 -0.05 1.47 0.31 -0.04 -4.80 118.33 116.10 1pmr n VAL 7 Ca 0.00 -4.45 -0.01 0.00 -0.01 0.00 0.00 64.34 59.88 1pmr n VAL 7 Cb 0.00 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1pmr n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1pmr n PRO 8 N 0.05 1.04 0.06 5.55 -0.04 -1.26 -1.69 135.00 138.70 1pmr n PRO 8 Ca 0.24 -0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1pmr n PRO 8 Cb 0.65 -1.03 0.12 0.00 -0.04 0.00 0.00 33.50 33.20 1pmr n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pmr h ASP 9 N 0.71 0.00 -7.25 3.54 5.19 -1.91 -3.47 116.42 113.23 1pmr h ASP 9 Ca 0.01 -0.24 -0.25 0.00 -0.62 0.00 0.00 57.03 55.94 1pmr h ASP 9 Cb 1.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1pmr h ASP 9 CO 0.03 0.12 -0.41 0.18 -3.12 0.00 0.00 179.24 176.04 1pmr n LEU 10 N -2.12 -0.04 0.00 1.55 4.77 -1.26 -4.85 117.00 115.05 1pmr n LEU 10 Ca 0.03 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1pmr n LEU 10 Cb 0.45 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1pmr n LEU 10 CO 0.38 0.34 0.01 -0.81 -1.33 0.00 0.00 177.39 175.98 1pmr n PRO 11 N -2.62 0.00 -0.93 3.23 -0.04 -1.26 -4.89 135.00 128.50 1pmr n PRO 11 Ca -0.05 0.28 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1pmr n PRO 11 Cb 0.23 -0.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.85 1pmr n PRO 11 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pmr n GLU 12 N -1.33 0.00 -1.33 0.54 1.02 -1.26 -5.13 120.64 113.15 1pmr n GLU 12 Ca 0.00 -0.88 -0.38 0.00 -0.02 0.00 0.00 57.16 55.88 1pmr n GLU 12 Cb 0.00 0.32 0.03 0.00 -0.02 0.00 0.00 31.44 31.78 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pmr n SER 13 N 0.05 -2.28 0.00 1.62 2.88 -1.25 -4.70 113.62 109.94 1pmr n SER 13 Ca -0.18 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1pmr n SER 13 Cb 0.70 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pmr n VAL 14 N -1.79 0.00 0.88 2.46 0.31 -1.22 -4.84 118.33 114.13 1pmr n VAL 14 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.52 1pmr n VAL 14 Cb 0.48 -0.31 0.01 0.00 -0.91 0.00 0.00 33.84 33.11 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 15 N -3.00 3.27 0.00 3.52 0.00 -1.26 -5.02 120.51 118.02 1pmr n ALA 15 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1pmr n ALA 15 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pmr n ASP 16 N 0.11 0.00 -1.61 0.00 5.68 -1.26 -5.04 116.55 114.43 1pmr n ASP 16 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 1pmr n ASP 16 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pmr n ALA 17 N -0.89 0.00 -3.63 2.12 0.00 -0.36 -4.85 120.51 112.91 1pmr n ALA 17 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1pmr n ALA 17 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1pmr n ALA 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 18 N 1.19 -0.02 -1.09 0.00 2.01 -0.97 -2.70 115.64 114.06 1pmr s THR 18 Ca 0.00 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 1pmr s THR 18 Cb 0.00 -0.69 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1pmr s THR 18 CO 0.00 0.02 1.93 -0.69 -0.69 0.00 0.00 174.62 175.19 1pmr s VAL 19 N 1.25 3.53 0.10 3.82 1.01 -1.18 -0.29 120.40 128.64 1pmr s VAL 19 Ca -0.08 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 1pmr s VAL 19 Cb -0.07 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1pmr s VAL 19 CO -0.12 -1.02 1.37 0.00 0.00 0.00 0.00 175.10 175.33 1pmr h ALA 20 N 10.20 -0.46 -1.62 5.51 0.00 0.16 0.37 119.26 133.42 1pmr h ALA 20 Ca 0.18 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1pmr h ALA 20 Cb 0.96 1.17 -0.25 0.00 0.00 0.00 0.00 17.79 19.67 1pmr h ALA 20 CO 1.23 -0.70 0.27 0.99 0.00 0.00 0.00 179.25 181.04 1pmr s THR 21 N -4.72 -0.06 0.00 0.00 2.01 -1.03 -4.31 115.64 107.53 1pmr s THR 21 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1pmr s THR 21 Cb 0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1pmr s THR 21 CO 0.42 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.14 1pmr n TRP 22 N 3.98 -2.25 -2.17 4.92 7.02 -1.26 -2.54 117.44 125.14 1pmr n TRP 22 Ca -0.18 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.28 1pmr n TRP 22 Cb 0.57 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.44 1pmr n TRP 22 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pmr n HIS 23 N -1.93 0.00 -4.46 -5.99 8.25 -1.26 -4.84 115.22 104.99 1pmr n HIS 23 Ca 0.00 -0.41 -0.26 0.00 -0.26 0.00 0.00 57.72 56.79 1pmr n HIS 23 Cb 0.00 0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 1pmr n HIS 23 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1pmr s LYS 24 N 0.00 1.99 0.54 -0.41 2.47 -1.26 -4.80 119.74 118.27 1pmr s LYS 24 Ca 0.11 -1.94 0.02 0.00 -1.56 0.00 0.00 55.97 52.61 1pmr s LYS 24 Cb 0.13 -1.78 0.02 0.00 -1.46 0.00 0.00 37.83 34.75 1pmr s LYS 24 CO -0.06 0.03 0.18 1.63 0.16 0.00 0.00 175.35 177.30 1pmr n LYS 25 N -0.96 0.71 -2.10 4.03 4.76 -1.26 -5.02 118.16 118.32 1pmr n LYS 25 Ca -0.04 -3.66 -0.28 0.00 -2.87 0.00 0.00 58.31 51.46 1pmr n LYS 25 Cb 0.65 0.73 -0.05 0.00 -1.84 0.00 0.00 35.03 34.52 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pmr s PRO 26 N -4.05 2.65 0.00 1.97 0.04 -1.26 -3.07 135.00 131.28 1pmr s PRO 26 Ca 0.14 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1pmr s PRO 26 Cb -0.01 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1pmr s PRO 26 CO 0.09 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 174.11 1pmr n GLY 27 N 6.55 0.89 0.00 0.56 0.00 -0.77 -4.81 105.19 107.61 1pmr n GLY 27 Ca 0.41 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pmr n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmr n ASP 28 N 0.63 -0.73 -2.76 1.61 8.00 -1.17 -4.56 116.55 117.57 1pmr n ASP 28 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1pmr n ASP 28 Cb 0.30 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 29 N -2.69 -1.84 -1.81 2.24 0.00 -1.26 -3.44 120.51 111.71 1pmr n ALA 29 Ca 0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 53.44 52.16 1pmr n ALA 29 Cb 0.00 -1.51 0.19 0.00 0.00 0.00 0.00 19.45 18.13 1pmr n ALA 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pmr n VAL 30 N 2.63 0.00 0.00 0.00 3.14 0.10 -4.89 118.33 119.32 1pmr n VAL 30 Ca 0.16 -0.88 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 1pmr n VAL 30 Cb 0.58 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1pmr n VAL 30 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pmr n VAL 31 N -3.75 0.00 -2.94 1.55 0.24 -1.26 -2.36 118.33 109.81 1pmr n VAL 31 Ca 0.15 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.32 1pmr n VAL 31 Cb 0.54 -0.47 0.03 0.00 -1.47 0.00 0.00 33.84 32.46 1pmr n VAL 31 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pmr n ARG 32 N -2.39 0.94 0.00 7.34 1.74 -1.24 -3.54 116.66 119.50 1pmr n ARG 32 Ca 0.00 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 1pmr n ARG 32 Cb 0.02 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1pmr n ASP 33 N 0.60 0.00 -2.09 0.55 8.00 -1.25 -4.84 116.55 117.52 1pmr n ASP 33 Ca 0.15 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.64 1pmr n ASP 33 Cb 0.66 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.77 1pmr n ASP 33 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1pmr n GLU 34 N 0.00 0.13 -0.81 -1.24 2.13 -0.56 -4.86 120.64 115.42 1pmr n GLU 34 Ca 0.00 -0.09 -0.33 0.00 0.66 0.00 0.00 57.16 57.39 1pmr n GLU 34 Cb 0.00 -0.05 0.11 0.00 0.27 0.00 0.00 31.44 31.77 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1pmr n VAL 35 N -1.90 0.00 -3.19 6.31 3.14 -1.26 -3.94 118.33 117.50 1pmr n VAL 35 Ca 0.01 -0.24 -0.19 0.00 -2.96 0.00 0.00 64.34 60.96 1pmr n VAL 35 Cb 0.02 -0.52 -0.03 0.00 -1.06 0.00 0.00 33.84 32.25 1pmr n VAL 35 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pmr n LEU 36 N -0.61 0.71 -3.70 6.55 4.32 -1.23 -2.41 117.00 120.63 1pmr n LEU 36 Ca 0.05 -4.95 -0.36 0.00 -0.02 0.00 0.00 56.01 50.73 1pmr n LEU 36 Cb 0.55 0.71 0.03 0.00 -1.62 0.00 0.00 43.42 43.09 1pmr n LEU 36 CO 0.51 2.26 -1.92 0.55 -1.22 0.00 0.00 177.39 177.57 1pmr n VAL 37 N 0.44 0.00 -4.25 4.08 3.14 -1.26 -4.07 118.33 116.41 1pmr n VAL 37 Ca 0.24 -0.05 -0.26 0.00 -2.96 0.00 0.00 64.34 61.32 1pmr n VAL 37 Cb 0.64 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.26 1pmr n VAL 37 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1pmr s GLU 38 N -1.85 1.61 0.13 1.45 2.02 -1.05 -3.29 118.70 117.71 1pmr s GLU 38 Ca 0.34 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.00 1pmr s GLU 38 Cb 0.07 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.82 1pmr s GLU 38 CO 0.63 -0.12 0.08 1.51 0.02 0.00 0.00 175.26 177.39 1pmr n ILE 39 N 4.35 0.00 -4.09 -1.63 0.13 -1.05 0.18 119.36 117.25 1pmr n ILE 39 Ca -0.18 -0.53 -0.20 0.00 -1.10 0.00 0.00 62.75 60.74 1pmr n ILE 39 Cb 0.51 -0.32 -0.16 0.00 -0.84 0.00 0.00 39.64 38.83 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1pmr s GLU 40 N -2.52 0.73 0.00 9.51 2.02 0.60 -4.20 118.70 124.83 1pmr s GLU 40 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1pmr s GLU 40 Cb -0.01 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.43 1pmr s GLU 40 CO 0.04 -0.11 0.00 -2.37 0.02 0.00 0.00 175.26 172.84 1pmr n THR 41 N 4.16 0.00 0.00 3.63 5.66 -1.09 -2.30 114.28 124.33 1pmr n THR 41 Ca -0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1pmr n THR 41 Cb 0.51 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1pmr n ASP 42 N -1.69 0.00 0.00 1.09 2.03 -1.26 -3.40 116.55 113.32 1pmr n ASP 42 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pmr n ASP 42 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pmr n LYS 43 N 0.00 0.00 -4.39 -0.67 4.81 -1.26 -4.97 118.16 111.67 1pmr n LYS 43 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1pmr n LYS 43 Cb 0.00 -0.35 -0.11 0.00 0.02 0.00 0.00 35.03 34.59 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1pmr s VAL 44 N -1.22 4.05 -0.25 3.15 1.01 -1.26 -5.09 120.40 120.79 1pmr s VAL 44 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1pmr s VAL 44 Cb 0.00 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1pmr s VAL 44 CO 0.00 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.84 1pmr s VAL 45 N -0.10 2.40 1.00 2.92 1.01 -1.26 -2.68 120.40 123.68 1pmr s VAL 45 Ca 0.03 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 1pmr s VAL 45 Cb -0.13 -2.31 0.23 0.00 0.00 0.00 0.00 36.38 34.17 1pmr s VAL 45 CO 0.02 0.09 1.32 0.18 0.00 0.00 0.00 175.10 176.72 1pmr n LEU 46 N 4.53 0.00 0.00 3.92 7.99 -1.26 -4.74 117.00 127.44 1pmr n LEU 46 Ca -0.15 -1.45 -0.03 0.00 -0.01 0.00 0.00 56.01 54.37 1pmr n LEU 46 Cb 0.44 -1.02 -0.01 0.00 -0.11 0.00 0.00 43.42 42.72 1pmr n LEU 46 CO 0.24 -1.50 -0.01 -0.62 -1.51 0.00 0.00 177.39 173.98 1pmr n GLU 47 N -3.91 0.07 -3.13 3.23 1.02 -1.26 -2.54 120.64 114.13 1pmr n GLU 47 Ca 0.17 -0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 56.65 1pmr n GLU 47 Cb 0.58 0.39 -0.05 0.00 -0.02 0.00 0.00 31.44 32.34 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 48 N -0.09 -0.67 -2.45 2.62 3.14 -1.21 -4.85 118.33 114.83 1pmr n VAL 48 Ca 0.01 -2.91 -0.42 0.00 -2.96 0.00 0.00 64.34 58.06 1pmr n VAL 48 Cb 0.09 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 32.01 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pmr s PRO 49 N -0.10 3.36 0.85 1.45 0.04 -1.16 -3.46 135.00 135.98 1pmr s PRO 49 Ca 0.33 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 1pmr s PRO 49 Cb 0.10 -4.09 0.20 0.00 0.04 0.00 0.00 34.50 30.75 1pmr s PRO 49 CO -0.15 -1.87 1.04 0.00 0.04 0.00 0.00 177.00 176.06 1pmr n ALA 50 N 9.23 -1.62 -1.89 8.56 0.00 -1.01 -4.79 120.51 128.99 1pmr n ALA 50 Ca 0.11 -1.39 0.05 0.00 0.00 0.00 0.00 53.44 52.21 1pmr n ALA 50 Cb 0.49 -0.08 0.10 0.00 0.00 0.00 0.00 19.45 19.96 1pmr n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pmr n SER 51 N -3.90 1.28 0.00 0.00 2.88 -1.26 -1.50 113.62 111.12 1pmr n SER 51 Ca 0.13 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 1pmr n SER 51 Cb 0.47 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pmr n ALA 52 N -0.43 0.00 -0.89 -1.46 0.00 -1.23 -3.72 120.51 112.78 1pmr n ALA 52 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pmr n ALA 52 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1pmr n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pmr n ASP 53 N 0.00 0.00 0.00 0.00 8.00 -0.99 -4.76 116.55 118.79 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pmr n GLY 54 N 0.00 2.34 2.45 0.44 0.00 -1.00 0.03 105.19 109.45 1pmr n GLY 54 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pmr n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pmr n ILE 55 N -0.81 0.00 -1.55 -0.61 5.41 -1.22 -4.40 119.36 116.18 1pmr n ILE 55 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1pmr n ILE 55 Cb 0.00 -0.36 -0.05 0.00 -0.71 0.00 0.00 39.64 38.52 1pmr n ILE 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pmr n LEU 56 N 7.01 2.00 -0.03 1.39 7.94 -1.24 -2.55 117.00 131.52 1pmr n LEU 56 Ca 0.45 -0.72 -0.03 0.00 -1.11 0.00 0.00 56.01 54.61 1pmr n LEU 56 Cb 0.01 -1.55 -0.05 0.00 0.53 0.00 0.00 43.42 42.36 1pmr n LEU 56 CO 0.66 -1.79 -0.69 -0.67 -1.11 0.00 0.00 177.39 173.79 1pmr n ASP 57 N 16.16 3.53 -3.62 1.96 2.03 -1.26 -1.84 116.55 133.51 1pmr n ASP 57 Ca 0.42 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.45 1pmr n ASP 57 Cb 0.48 0.68 -0.16 0.00 -0.72 0.00 0.00 41.12 41.40 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pmr s ALA 58 N -2.16 0.63 -0.58 -1.67 0.00 0.25 -4.97 121.76 113.26 1pmr s ALA 58 Ca -0.03 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1pmr s ALA 58 Cb 0.02 -1.19 0.20 0.00 0.00 0.00 0.00 23.12 22.15 1pmr s ALA 58 CO 0.25 -1.34 0.53 0.28 0.00 0.00 0.00 175.76 175.48 1pmr n VAL 59 N 5.21 0.82 0.78 0.00 0.31 -1.26 0.95 118.33 125.13 1pmr n VAL 59 Ca -0.07 -4.50 0.07 0.00 -0.01 0.00 0.00 64.34 59.84 1pmr n VAL 59 Cb 0.46 -2.01 0.40 0.00 -0.91 0.00 0.00 33.84 31.78 1pmr n VAL 59 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pmr n LEU 60 N 1.80 0.00 -2.57 7.52 4.77 -0.88 -2.94 117.00 124.71 1pmr n LEU 60 Ca 0.25 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.24 1pmr n LEU 60 Cb 0.42 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1pmr n LEU 60 CO 0.25 -0.11 0.06 -0.62 -1.33 0.00 0.00 177.39 175.64 1pmr n GLU 61 N -1.21 2.47 -1.65 3.23 1.02 0.11 -4.95 120.64 119.66 1pmr n GLU 61 Ca 0.08 -4.00 -0.53 0.00 -0.02 0.00 0.00 57.16 52.70 1pmr n GLU 61 Cb 0.10 -1.84 -0.06 0.00 -0.02 0.00 0.00 31.44 29.62 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pmr n ASP 62 N -0.30 2.75 0.00 1.62 8.00 -1.15 -4.20 116.55 123.27 1pmr n ASP 62 Ca 0.27 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1pmr n ASP 62 Cb 0.72 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1pmr n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pmr n GLU 63 N 6.39 0.00 0.00 -1.24 4.71 -1.26 -2.96 120.64 126.28 1pmr n GLU 63 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 1pmr n GLU 63 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.64 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pmr n GLY 64 N 0.33 1.70 3.56 0.62 0.00 0.13 -4.95 105.19 106.57 1pmr n GLY 64 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1pmr n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pmr n THR 65 N 0.00 2.42 -1.71 2.61 -1.04 -1.16 -4.58 114.28 110.82 1pmr n THR 65 Ca 0.00 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 1pmr n THR 65 Cb 0.00 -0.96 0.05 0.00 -1.82 0.00 0.00 70.33 67.60 1pmr n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pmr s THR 66 N -1.85 3.26 0.29 12.58 2.01 -1.26 -3.13 115.64 127.54 1pmr s THR 66 Ca 0.70 0.56 -0.07 0.00 0.31 0.00 0.00 61.69 63.19 1pmr s THR 66 Cb -0.35 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 1pmr s THR 66 CO 0.53 -0.38 0.46 0.54 -0.69 0.00 0.00 174.62 175.08 1pmr s VAL 67 N -2.40 0.00 0.08 3.82 0.11 -1.10 -4.85 120.40 116.06 1pmr s VAL 67 Ca 0.66 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1pmr s VAL 67 Cb -0.20 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 1pmr s VAL 67 CO 0.43 0.00 0.06 0.41 -3.33 0.00 0.00 175.10 172.67 1pmr n THR 68 N -0.46 0.00 -1.11 5.04 -1.04 -1.26 -1.22 114.28 114.22 1pmr n THR 68 Ca -0.01 -0.55 -0.17 0.00 -2.04 0.00 0.00 64.05 61.28 1pmr n THR 68 Cb 0.62 0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 69.34 1pmr n THR 68 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pmr n SER 69 N -2.69 5.99 0.00 8.00 7.64 -1.26 -3.68 113.62 127.63 1pmr n SER 69 Ca 0.02 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1pmr n SER 69 Cb 0.14 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pmr n ARG 70 N 1.30 0.00 -4.23 1.43 1.74 -0.68 -4.38 116.66 111.84 1pmr n ARG 70 Ca 0.38 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 1pmr n ARG 70 Cb 0.66 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.00 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pmr s GLN 71 N 0.00 2.13 -0.37 5.56 -1.52 -1.24 -4.81 119.66 119.41 1pmr s GLN 71 Ca 0.00 -1.02 -0.16 0.00 -1.95 0.00 0.00 55.36 52.23 1pmr s GLN 71 Cb 0.00 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.49 1pmr s GLN 71 CO 0.00 0.51 0.39 -1.50 -0.25 0.00 0.00 175.29 174.44 1pmr s ILE 72 N -1.21 5.14 0.39 1.08 2.07 -1.26 -0.86 121.20 126.55 1pmr s ILE 72 Ca 0.21 -0.12 0.19 0.00 -1.41 0.00 0.00 60.65 59.52 1pmr s ILE 72 Cb -0.11 -3.91 0.39 0.00 0.13 0.00 0.00 42.46 38.97 1pmr s ILE 72 CO 0.14 -0.22 1.74 -0.07 -1.91 0.00 0.00 174.94 174.61 1pmr h LEU 73 N 8.86 0.45 0.00 8.50 3.38 0.42 -3.46 115.31 133.45 1pmr h LEU 73 Ca -0.28 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pmr h LEU 73 Cb 1.13 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pmr h LEU 73 CO 0.73 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1pmr n GLY 74 N -1.45 -0.68 3.06 0.83 0.00 -1.20 0.08 105.19 105.83 1pmr n GLY 74 Ca 0.28 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1pmr n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pmr s ARG 75 N -1.60 0.52 0.00 1.61 1.70 0.27 -2.51 118.95 118.94 1pmr s ARG 75 Ca 0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.50 1pmr s ARG 75 Cb 0.00 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.10 1pmr s ARG 75 CO 0.00 0.05 0.00 1.28 -1.08 0.00 0.00 175.30 175.55 1pmr n LEU 76 N 1.45 0.00 -4.13 -1.89 4.32 -1.16 0.86 117.00 116.45 1pmr n LEU 76 Ca -0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.63 1pmr n LEU 76 Cb 0.55 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.24 1pmr n LEU 76 CO 0.21 0.00 -0.41 -0.60 -1.22 0.00 0.00 177.39 175.37 1pmr s ARG 77 N 2.50 0.73 0.13 3.23 3.52 -1.06 -4.40 118.95 123.59 1pmr s ARG 77 Ca 0.00 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 54.55 1pmr s ARG 77 Cb 0.00 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 1pmr s ARG 77 CO 0.00 0.06 0.09 -2.00 -0.81 0.00 0.00 175.30 172.65 1pmr s GLU 78 N -2.43 0.93 0.29 5.12 2.12 -0.98 -2.38 118.70 121.38 1pmr s GLU 78 Ca 0.00 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 53.98 1pmr s GLU 78 Cb -0.05 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1pmr s GLU 78 CO -0.00 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1pmr n GLY 79 N -0.09 -4.31 0.92 -1.50 0.00 -1.26 -4.72 105.19 94.22 1pmr n GLY 79 Ca -0.07 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.35 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02