#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 -0.14 -1.38 6.43 0.01 -1.26 0.36 113.70 117.72 1pmr s SER 2 Ca 0.00 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 1pmr s SER 2 Cb 0.00 0.40 0.07 0.00 0.21 0.00 0.00 66.02 66.70 1pmr s SER 2 CO 0.00 -0.73 2.01 0.52 0.41 0.00 0.00 173.24 175.44 1pmr n VAL 3 N -0.49 3.73 -1.86 3.43 0.31 -1.25 -4.65 118.33 117.56 1pmr n VAL 3 Ca -0.07 -3.57 -0.42 0.00 -0.01 0.00 0.00 64.34 60.28 1pmr n VAL 3 Cb 0.61 -2.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1pmr n VAL 3 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pmr n ASP 4 N 6.51 5.09 -4.89 4.52 9.92 -1.25 -2.48 116.55 133.96 1pmr n ASP 4 Ca 0.49 -2.90 -0.29 0.00 -0.53 0.00 0.00 54.79 51.56 1pmr n ASP 4 Cb 0.41 -1.58 0.05 0.00 -0.64 0.00 0.00 41.12 39.36 1pmr n ASP 4 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1pmr s ILE 5 N 2.03 3.30 0.00 0.53 -0.00 -1.03 -4.89 121.20 121.14 1pmr s ILE 5 Ca 0.48 0.34 0.00 0.00 -0.00 0.00 0.00 60.65 61.48 1pmr s ILE 5 Cb 0.14 -3.40 0.00 0.00 -0.00 0.00 0.00 42.46 39.19 1pmr s ILE 5 CO -0.06 -0.52 0.00 0.00 -0.00 0.00 0.00 174.94 174.36 1pmr n LEU 6 N -2.99 0.00 -3.20 0.37 -0.00 -1.26 0.91 117.00 110.83 1pmr n LEU 6 Ca 0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.85 1pmr n LEU 6 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.94 1pmr n LEU 6 CO 0.57 0.00 -0.21 0.52 -0.00 0.00 0.00 177.39 178.26 1pmr n VAL 7 N 0.00 0.01 -0.34 1.47 0.31 -1.22 -4.55 118.33 114.00 1pmr n VAL 7 Ca 0.00 -4.39 -0.01 0.00 -0.01 0.00 0.00 64.34 59.93 1pmr n VAL 7 Cb 0.00 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 0.96 1.03 -3.80 5.55 -0.04 -1.26 -2.54 135.00 134.90 1pmr n PRO 8 Ca 0.24 -0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.35 1pmr n PRO 8 Cb 0.54 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.86 1pmr n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pmr s ASP 9 N 1.81 4.12 0.07 3.54 1.01 -1.26 -4.89 116.67 121.07 1pmr s ASP 9 Ca 0.01 -3.56 0.09 0.00 0.71 0.00 0.00 52.55 49.80 1pmr s ASP 9 Cb 0.01 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 1pmr s ASP 9 CO 0.00 -0.12 -0.24 -0.76 0.21 0.00 0.00 175.17 174.26 1pmr s LEU 10 N -0.97 2.23 0.00 1.23 1.43 -1.26 -4.88 118.68 116.45 1pmr s LEU 10 Ca 0.25 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1pmr s LEU 10 Cb -0.06 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1pmr s LEU 10 CO -0.15 0.17 0.00 -0.81 0.23 0.00 0.00 176.35 175.80 1pmr n PRO 11 N 1.48 1.26 0.00 1.29 -0.04 -1.25 -5.01 135.00 132.72 1pmr n PRO 11 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1pmr n PRO 11 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1pmr n PRO 11 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pmr n GLU 12 N 0.00 2.73 -0.19 0.54 2.13 -1.26 -4.46 120.64 120.13 1pmr n GLU 12 Ca 0.00 -0.41 0.07 0.00 0.66 0.00 0.00 57.16 57.48 1pmr n GLU 12 Cb 0.00 -1.01 0.15 0.00 0.27 0.00 0.00 31.44 30.85 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1pmr n SER 13 N -0.53 2.85 -3.04 4.31 7.64 -1.26 -4.84 113.62 118.74 1pmr n SER 13 Ca 0.03 -2.61 0.01 0.00 1.01 0.00 0.00 58.87 57.31 1pmr n SER 13 Cb 0.17 -0.33 -0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1pmr n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pmr s VAL 14 N -2.07 -0.76 -0.13 0.44 1.01 -1.26 -5.02 120.40 112.61 1pmr s VAL 14 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1pmr s VAL 14 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 36.38 36.54 1pmr s VAL 14 CO 0.07 0.00 2.71 0.00 0.00 0.00 0.00 175.10 177.87 1pmr n ALA 15 N 4.08 5.42 -3.58 5.51 0.00 -1.26 -3.97 120.51 126.71 1pmr n ALA 15 Ca 0.10 -1.41 -0.15 0.00 0.00 0.00 0.00 53.44 51.98 1pmr n ALA 15 Cb 0.59 -1.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1pmr n ALA 15 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pmr s ASP 16 N 1.43 -0.64 0.00 0.00 -4.77 -1.26 -4.71 116.67 106.72 1pmr s ASP 16 Ca 0.38 0.98 0.00 0.00 -3.30 0.00 0.00 52.55 50.62 1pmr s ASP 16 Cb 0.22 0.91 0.00 0.00 -1.09 0.00 0.00 42.92 42.95 1pmr s ASP 16 CO -0.04 -0.39 0.00 0.00 0.70 0.00 0.00 175.17 175.44 1pmr n ALA 17 N 1.72 0.00 -3.65 2.11 0.00 -0.72 -4.72 120.51 115.25 1pmr n ALA 17 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1pmr n ALA 17 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.32 -0.02 -1.04 0.00 2.01 -0.97 -2.87 115.64 111.43 1pmr s THR 18 Ca 0.00 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1pmr s THR 18 Cb 0.00 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.84 1pmr s THR 18 CO 0.00 0.03 1.93 -0.69 -0.69 0.00 0.00 174.62 175.20 1pmr s VAL 19 N 1.26 3.51 0.08 3.82 1.01 -1.10 -0.28 120.40 128.70 1pmr s VAL 19 Ca -0.08 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1pmr s VAL 19 Cb -0.08 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 1pmr s VAL 19 CO -0.11 -1.01 1.34 0.00 0.00 0.00 0.00 175.10 175.32 1pmr h ALA 20 N 10.47 -0.67 -1.62 5.51 0.00 0.05 0.40 119.26 133.39 1pmr h ALA 20 Ca 0.16 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1pmr h ALA 20 Cb 0.97 0.90 -0.24 0.00 0.00 0.00 0.00 17.79 19.42 1pmr h ALA 20 CO 1.23 -0.81 0.20 0.99 0.00 0.00 0.00 179.25 180.85 1pmr s THR 21 N -4.66 -0.20 0.00 0.00 2.01 -1.06 -4.20 115.64 107.53 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 0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1pmr s THR 21 CO 0.38 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.10 1pmr n TRP 22 N 4.29 -1.28 -2.14 4.92 7.02 -1.26 -2.61 117.44 126.38 1pmr n TRP 22 Ca -0.17 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.27 1pmr n TRP 22 Cb 0.56 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.25 -0.10 -4.38 -5.99 8.25 -1.26 -4.81 115.22 105.68 1pmr n HIS 23 Ca 0.00 -0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 56.63 1pmr n HIS 23 Cb 0.00 0.44 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.04 1.94 0.40 -0.41 2.47 -1.26 -4.78 119.74 118.06 1pmr s LYS 24 Ca 0.07 -1.57 0.05 0.00 -1.56 0.00 0.00 55.97 52.95 1pmr s LYS 24 Cb 0.10 -1.96 0.05 0.00 -1.46 0.00 0.00 37.83 34.56 1pmr s LYS 24 CO -0.04 0.36 0.40 1.17 0.16 0.00 0.00 175.35 177.40 1pmr n LYS 25 N -0.61 0.83 -2.04 4.03 3.00 -1.26 -5.01 118.16 117.11 1pmr n LYS 25 Ca -0.07 -2.39 -0.43 0.00 -0.00 0.00 0.00 58.31 55.43 1pmr n LYS 25 Cb 0.59 0.10 -0.03 0.00 0.00 0.00 0.00 35.03 35.69 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1pmr s PRO 26 N -3.72 3.46 -1.36 1.64 0.04 -1.26 -3.01 135.00 130.79 1pmr s PRO 26 Ca 0.30 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 1pmr s PRO 26 Cb -0.02 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.39 1pmr s PRO 26 CO 0.19 -1.71 1.04 0.41 0.04 0.00 0.00 177.00 176.97 1pmr n GLY 27 N 5.24 -0.46 0.00 0.56 0.00 -0.99 -4.79 105.19 104.75 1pmr n GLY 27 Ca 0.22 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.01 -0.76 -3.01 1.61 9.92 -1.16 -4.52 116.55 115.63 1pmr n ASP 28 Ca -0.09 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1pmr n ASP 28 Cb 0.59 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr s ALA 29 N -2.06 -2.88 1.02 2.24 0.00 -1.26 -2.99 121.76 115.83 1pmr s ALA 29 Ca 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 1pmr s ALA 29 Cb 0.00 -2.81 0.17 0.00 0.00 0.00 0.00 23.12 20.49 1pmr s ALA 29 CO 0.00 -2.30 0.97 1.55 0.00 0.00 0.00 175.76 175.98 1pmr n VAL 30 N 3.89 0.00 0.00 0.00 3.14 0.55 -4.87 118.33 121.04 1pmr n VAL 30 Ca 0.11 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1pmr n VAL 30 Cb 0.59 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 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 -3.46 0.00 -2.18 1.55 0.24 -1.26 -2.85 118.33 110.36 1pmr n VAL 31 Ca 0.12 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.23 1pmr n VAL 31 Cb 0.43 -0.38 0.03 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.91 3.26 0.00 7.34 1.74 -1.25 -3.29 116.66 123.54 1pmr n ARG 32 Ca 0.00 -4.05 0.00 0.00 -0.77 0.00 0.00 57.85 53.03 1pmr n ARG 32 Cb 0.00 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 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 -0.68 0.00 -2.12 0.55 8.00 -1.25 -4.78 116.55 116.27 1pmr n ASP 33 Ca 0.37 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.85 1pmr n ASP 33 Cb 0.93 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.00 -0.84 -1.24 2.13 -1.13 -4.85 120.64 114.72 1pmr n GLU 34 Ca 0.00 -0.13 -0.34 0.00 0.66 0.00 0.00 57.16 57.36 1pmr n GLU 34 Cb 0.00 -0.08 0.10 0.00 0.27 0.00 0.00 31.44 31.74 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 -2.03 0.00 -3.16 6.31 3.14 -1.26 -3.95 118.33 117.37 1pmr n VAL 35 Ca 0.01 -0.27 -0.19 0.00 -2.96 0.00 0.00 64.34 60.94 1pmr n VAL 35 Cb 0.03 -0.45 -0.03 0.00 -1.06 0.00 0.00 33.84 32.33 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 -0.05 0.49 -3.63 6.55 4.32 -1.21 -2.19 117.00 121.29 1pmr n LEU 36 Ca 0.04 -4.86 -0.34 0.00 -0.02 0.00 0.00 56.01 50.82 1pmr n LEU 36 Cb 0.56 0.72 0.03 0.00 -1.62 0.00 0.00 43.42 43.11 1pmr n LEU 36 CO 0.51 2.23 -1.62 0.55 -1.22 0.00 0.00 177.39 177.84 1pmr n VAL 37 N 0.54 0.00 -4.70 4.08 3.14 -1.25 -4.01 118.33 116.13 1pmr n VAL 37 Ca 0.23 -0.21 -0.25 0.00 -2.96 0.00 0.00 64.34 61.15 1pmr n VAL 37 Cb 0.63 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.25 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 -1.82 1.81 0.12 1.45 2.02 -1.07 -2.79 118.70 118.42 1pmr s GLU 38 Ca 0.34 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1pmr s GLU 38 Cb -0.02 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1pmr s GLU 38 CO 0.67 0.10 0.03 1.51 0.02 0.00 0.00 175.26 177.59 1pmr n ILE 39 N 3.58 0.00 -3.99 -1.63 0.13 -1.02 0.72 119.36 117.15 1pmr n ILE 39 Ca -0.21 -0.55 -0.23 0.00 -1.10 0.00 0.00 62.75 60.66 1pmr n ILE 39 Cb 0.52 -0.02 -0.17 0.00 -0.84 0.00 0.00 39.64 39.13 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 -2.46 0.95 0.00 9.51 2.02 0.61 -4.28 118.70 125.05 1pmr s GLU 40 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1pmr s GLU 40 Cb -0.00 -1.09 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1pmr s GLU 40 CO 0.01 -0.20 0.00 0.25 0.02 0.00 0.00 175.26 175.35 1pmr n THR 41 N 4.64 0.00 -3.47 3.63 -2.24 -1.11 -2.28 114.28 113.44 1pmr n THR 41 Ca -0.15 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 1pmr n THR 41 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pmr n ASP 42 N 0.00 1.56 0.00 3.42 -0.08 -1.26 -4.82 116.55 115.37 1pmr n ASP 42 Ca 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 1pmr n ASP 42 Cb 0.00 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pmr n LYS 43 N 1.78 0.00 -4.09 -0.67 3.00 -1.26 -4.99 118.16 111.93 1pmr n LYS 43 Ca 0.25 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.23 1pmr n LYS 43 Cb 0.44 -0.45 -0.07 0.00 0.00 0.00 0.00 35.03 34.95 1pmr n LYS 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pmr s VAL 44 N -1.57 4.83 -0.29 3.15 0.11 -1.26 -5.08 120.40 120.27 1pmr s VAL 44 Ca 0.00 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1pmr s VAL 44 Cb 0.00 -3.19 0.08 0.00 -1.53 0.00 0.00 36.38 31.74 1pmr s VAL 44 CO 0.00 0.39 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.43 1pmr s VAL 45 N -1.17 2.20 0.94 2.04 1.01 -1.26 -2.76 120.40 121.40 1pmr s VAL 45 Ca 0.22 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1pmr s VAL 45 Cb -0.12 -2.45 0.22 0.00 0.00 0.00 0.00 36.38 34.03 1pmr s VAL 45 CO 0.13 -0.28 1.28 0.18 0.00 0.00 0.00 175.10 176.40 1pmr n LEU 46 N 4.36 0.00 0.00 3.92 7.99 -1.26 -4.82 117.00 127.19 1pmr n LEU 46 Ca -0.06 -1.40 0.00 0.00 -0.01 0.00 0.00 56.01 54.54 1pmr n LEU 46 Cb 0.42 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.75 1pmr n LEU 46 CO 0.21 -1.41 0.00 -1.84 -1.51 0.00 0.00 177.39 172.84 1pmr n GLU 47 N -3.70 0.00 -2.95 3.23 0.28 -1.26 -2.43 120.64 113.80 1pmr n GLU 47 Ca 0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.06 1pmr n GLU 47 Cb 0.55 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.40 1pmr n GLU 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pmr s VAL 48 N -2.21 -0.67 -0.39 3.84 0.11 -1.12 -4.83 120.40 115.12 1pmr s VAL 48 Ca 0.00 -1.32 -0.28 0.00 -2.93 0.00 0.00 61.98 57.45 1pmr s VAL 48 Cb 0.00 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1pmr s VAL 48 CO 0.00 -0.31 1.07 -2.16 -3.33 0.00 0.00 175.10 170.38 1pmr s PRO 49 N 0.77 3.88 0.00 1.54 0.04 -1.20 -3.32 135.00 136.72 1pmr s PRO 49 Ca 0.29 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1pmr s PRO 49 Cb 0.00 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1pmr s PRO 49 CO -0.08 -1.10 0.00 0.00 0.04 0.00 0.00 177.00 175.85 1pmr n ALA 50 N 7.23 0.00 -1.32 8.56 0.00 -0.93 -4.85 120.51 129.21 1pmr n ALA 50 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1pmr n ALA 50 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1pmr n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pmr n SER 51 N -2.40 0.74 0.00 0.00 3.41 -1.26 -2.85 113.62 111.26 1pmr n SER 51 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1pmr n SER 51 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pmr n ALA 52 N -0.36 0.00 -0.75 7.33 0.00 -1.21 -3.82 120.51 121.70 1pmr n ALA 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pmr n ALA 52 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1pmr n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pmr n ASP 53 N 0.00 0.00 0.00 0.00 -0.08 -1.13 -4.78 116.55 110.55 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pmr n GLY 54 N 0.00 1.41 2.59 0.27 0.00 -1.02 -0.33 105.19 108.10 1pmr n GLY 54 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.78 0.00 -1.44 -0.61 5.41 -1.16 -4.34 119.36 116.44 1pmr n ILE 55 Ca 0.00 -0.11 -0.46 0.00 1.00 0.00 0.00 62.75 63.18 1pmr n ILE 55 Cb 0.00 -0.26 -0.11 0.00 -0.71 0.00 0.00 39.64 38.55 1pmr n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pmr n LEU 56 N 6.72 1.04 -0.04 1.39 7.99 -1.26 -3.19 117.00 129.66 1pmr n LEU 56 Ca 0.49 0.23 -0.08 0.00 -0.01 0.00 0.00 56.01 56.64 1pmr n LEU 56 Cb 0.05 -1.08 -0.03 0.00 -0.11 0.00 0.00 43.42 42.24 1pmr n LEU 56 CO 0.73 -0.86 -0.78 -0.67 -1.51 0.00 0.00 177.39 174.30 1pmr n ASP 57 N 10.54 1.38 -3.27 -1.43 -0.08 -1.25 -2.34 116.55 120.09 1pmr n ASP 57 Ca 0.55 0.06 -0.24 0.00 -1.51 0.00 0.00 54.79 53.65 1pmr n ASP 57 Cb 0.13 -0.21 -0.08 0.00 2.34 0.00 0.00 41.12 43.30 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pmr n ALA 58 N -3.20 2.22 -2.64 -1.67 0.00 0.07 -5.02 120.51 110.27 1pmr n ALA 58 Ca -0.16 -2.93 -0.42 0.00 0.00 0.00 0.00 53.44 49.93 1pmr n ALA 58 Cb 0.63 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1pmr n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pmr s VAL 59 N -0.11 4.16 -1.91 0.00 1.01 -1.25 -0.91 120.40 121.38 1pmr s VAL 59 Ca 0.33 -1.36 0.15 0.00 0.00 0.00 0.00 61.98 61.11 1pmr s VAL 59 Cb 0.07 -5.06 0.41 0.00 0.00 0.00 0.00 36.38 31.80 1pmr s VAL 59 CO -0.17 -1.90 1.34 0.18 0.00 0.00 0.00 175.10 174.56 1pmr n LEU 60 N 8.23 0.00 -2.89 3.92 4.77 -1.12 -3.11 117.00 126.80 1pmr n LEU 60 Ca 0.37 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1pmr n LEU 60 Cb 0.49 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1pmr n LEU 60 CO 0.67 -0.02 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.00 1pmr n GLU 61 N -1.05 1.67 -1.60 3.23 1.02 0.42 -4.92 120.64 119.41 1pmr n GLU 61 Ca 0.11 -3.70 -0.58 0.00 -0.02 0.00 0.00 57.16 52.97 1pmr n GLU 61 Cb 0.06 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.01 1.08 -3.59 1.62 8.00 -1.18 -4.65 116.55 117.83 1pmr n ASP 62 Ca 0.22 1.14 -0.48 0.00 0.71 0.00 0.00 54.79 56.38 1pmr n ASP 62 Cb 0.67 -1.04 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1pmr n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1pmr n GLU 63 N 2.79 0.00 0.00 -1.24 0.28 -1.26 -2.51 120.64 118.69 1pmr n GLU 63 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1pmr n GLU 63 Cb 0.10 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pmr n GLY 64 N 1.74 1.38 3.97 -1.84 0.00 0.14 -4.91 105.19 105.67 1pmr n GLY 64 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1pmr n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmr s THR 65 N -2.00 3.24 0.57 2.61 2.01 -1.05 -4.87 115.64 116.15 1pmr s THR 65 Ca 0.00 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1pmr s THR 65 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1pmr s THR 65 CO 0.00 -0.12 0.97 -0.89 -0.69 0.00 0.00 174.62 173.89 1pmr s THR 66 N -2.61 4.72 0.26 -0.82 2.01 -1.26 -2.70 115.64 115.25 1pmr s THR 66 Ca 0.53 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 1pmr s THR 66 Cb -0.10 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1pmr s THR 66 CO 0.37 -1.00 0.45 0.54 -0.69 0.00 0.00 174.62 174.30 1pmr s VAL 67 N -2.98 0.00 0.00 3.82 0.11 -1.14 -4.85 120.40 115.37 1pmr s VAL 67 Ca 0.54 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1pmr s VAL 67 Cb -0.11 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1pmr s VAL 67 CO 0.48 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.32 1pmr n THR 68 N -0.40 0.00 -0.79 5.04 5.66 -1.26 -1.76 114.28 120.77 1pmr n THR 68 Ca -0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.88 1pmr n THR 68 Cb 0.62 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1pmr n THR 68 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1pmr n SER 69 N -0.36 6.04 0.00 1.09 2.88 -1.22 -3.81 113.62 118.24 1pmr n SER 69 Ca 0.00 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1pmr n SER 69 Cb 0.00 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1pmr n SER 69 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pmr n ARG 70 N 0.86 0.00 -3.51 -1.46 0.63 -1.05 -4.04 116.66 108.08 1pmr n ARG 70 Ca 0.21 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.72 1pmr n ARG 70 Cb 0.56 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.40 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1pmr s GLN 71 N 0.00 2.71 -0.46 -0.14 -1.52 -1.25 -4.79 119.66 114.21 1pmr s GLN 71 Ca 0.00 -1.94 -0.43 0.00 -1.95 0.00 0.00 55.36 51.04 1pmr s GLN 71 Cb 0.00 -4.02 -0.18 0.00 -0.22 0.00 0.00 33.01 28.59 1pmr s GLN 71 CO 0.00 -1.23 2.04 1.51 -0.25 0.00 0.00 175.29 177.37 1pmr n ILE 72 N 4.67 0.05 -0.28 1.08 3.06 -1.26 -3.41 119.36 123.27 1pmr n ILE 72 Ca -0.04 -0.05 -0.01 0.00 -2.50 0.00 0.00 62.75 60.15 1pmr n ILE 72 Cb 0.41 -0.73 0.11 0.00 0.54 0.00 0.00 39.64 39.97 1pmr n ILE 72 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1pmr h LEU 73 N 8.83 0.75 0.00 9.51 5.85 0.29 -3.41 115.31 137.13 1pmr h LEU 73 Ca -0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1pmr h LEU 73 Cb 1.39 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1pmr h LEU 73 CO 1.05 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 180.26 1pmr n GLY 74 N -1.31 2.55 3.81 3.75 0.00 -1.17 0.16 105.19 112.97 1pmr n GLY 74 Ca 0.10 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 3.35 0.00 1.61 1.70 -0.09 -2.46 118.95 121.06 1pmr s ARG 75 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1pmr s ARG 75 Cb 0.00 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.30 1pmr s ARG 75 CO 0.00 0.72 0.00 1.28 -1.08 0.00 0.00 175.30 176.22 1pmr n LEU 76 N 2.13 0.00 -3.68 -1.89 4.32 -1.03 -0.75 117.00 116.09 1pmr n LEU 76 Ca -0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.67 1pmr n LEU 76 Cb 0.54 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.28 1pmr n LEU 76 CO 0.31 0.00 0.14 -0.60 -1.22 0.00 0.00 177.39 176.01 1pmr s ARG 77 N 1.55 0.87 -0.33 3.23 6.06 -1.19 -3.92 118.95 125.22 1pmr s ARG 77 Ca 0.00 -0.31 0.16 0.00 -2.50 0.00 0.00 55.73 53.08 1pmr s ARG 77 Cb 0.00 0.39 0.44 0.00 0.06 0.00 0.00 34.95 35.84 1pmr s ARG 77 CO 0.00 -0.29 1.24 -1.91 -2.50 0.00 0.00 175.30 171.84 1pmr n GLU 78 N 0.67 1.35 0.00 5.12 0.00 0.16 -2.44 120.64 125.49 1pmr n GLU 78 Ca -0.19 -2.46 0.00 0.00 0.00 0.00 0.00 57.16 54.51 1pmr n GLU 78 Cb 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 31.41 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pmr n GLY 79 N -0.68 -1.22 0.00 8.31 0.00 -1.26 -3.62 105.19 106.72 1pmr n GLY 79 Ca -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31