#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr n SER 2 N 0.00 -0.60 -4.37 6.43 7.64 -1.26 -4.39 113.62 117.08 1pmr n SER 2 Ca 0.00 -0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.18 1pmr n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1pmr n SER 2 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pmr n VAL 3 N -1.68 3.63 -2.36 0.44 0.31 -0.93 -4.79 118.33 112.96 1pmr n VAL 3 Ca 0.00 -3.64 -0.36 0.00 -0.01 0.00 0.00 64.34 60.33 1pmr n VAL 3 Cb 0.00 -2.39 -0.03 0.00 -0.91 0.00 0.00 33.84 30.51 1pmr n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1pmr s ASP 4 N 4.19 6.03 0.05 4.52 1.11 -1.26 -2.89 116.67 128.43 1pmr s ASP 4 Ca 0.54 -1.75 0.00 0.00 0.18 0.00 0.00 52.55 51.52 1pmr s ASP 4 Cb 0.06 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1pmr s ASP 4 CO 0.05 -1.98 0.17 -0.51 1.18 0.00 0.00 175.17 174.08 1pmr s ILE 5 N 7.06 5.20 0.00 0.77 1.10 -0.99 -5.02 121.20 129.32 1pmr s ILE 5 Ca 0.58 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 1pmr s ILE 5 Cb 0.00 -3.51 0.00 0.00 0.15 0.00 0.00 42.46 39.10 1pmr s ILE 5 CO 0.04 0.18 0.00 0.18 -2.11 0.00 0.00 174.94 173.23 1pmr n LEU 6 N 0.46 0.00 -3.04 8.50 4.32 -1.26 -0.87 117.00 125.11 1pmr n LEU 6 Ca -0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.74 1pmr n LEU 6 Cb 0.51 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.29 1pmr n LEU 6 CO 0.49 0.00 -0.14 0.52 -1.22 0.00 0.00 177.39 177.04 1pmr n VAL 7 N 0.00 0.63 0.95 4.08 0.31 0.10 -4.58 118.33 119.82 1pmr n VAL 7 Ca 0.00 -4.53 0.00 0.00 -0.01 0.00 0.00 64.34 59.81 1pmr n VAL 7 Cb 0.00 -0.34 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 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 0.11 1.14 -2.88 5.55 -0.04 -1.26 -1.81 135.00 135.81 1pmr n PRO 8 Ca 0.24 -0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 1pmr n PRO 8 Cb 0.64 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1pmr n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pmr n ASP 9 N 0.01 5.81 -3.97 3.54 8.00 -1.26 -4.85 116.55 123.83 1pmr n ASP 9 Ca 0.01 -3.63 -0.16 0.00 0.71 0.00 0.00 54.79 51.72 1pmr n ASP 9 Cb 0.28 -0.91 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 1pmr n ASP 9 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pmr s LEU 10 N -3.62 2.01 0.16 0.64 1.43 -1.26 -4.85 118.68 113.19 1pmr s LEU 10 Ca 0.42 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 1pmr s LEU 10 Cb 0.20 -0.30 -0.07 0.00 0.03 0.00 0.00 46.19 46.05 1pmr s LEU 10 CO -0.09 0.07 1.02 -2.16 0.23 0.00 0.00 176.35 175.42 1pmr s PRO 11 N -0.16 4.68 -0.52 1.29 0.04 -1.26 -4.90 135.00 134.17 1pmr s PRO 11 Ca 0.02 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 1pmr s PRO 11 Cb -0.02 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1pmr s PRO 11 CO -0.00 0.20 1.96 -1.21 0.04 0.00 0.00 177.00 177.99 1pmr s GLU 12 N -0.35 2.69 0.00 4.56 2.02 -1.26 -3.58 118.70 122.78 1pmr s GLU 12 Ca 0.47 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.42 1pmr s GLU 12 Cb -0.26 -4.38 0.00 0.00 0.10 0.00 0.00 34.13 29.58 1pmr s GLU 12 CO 0.32 -2.64 0.00 0.45 0.02 0.00 0.00 175.26 173.41 1pmr n SER 13 N 12.81 0.00 0.00 -0.19 2.88 -1.26 -5.08 113.62 122.78 1pmr n SER 13 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1pmr n SER 13 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.00 0.00 0.00 2.46 0.31 -1.23 -5.05 118.33 114.81 1pmr n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pmr n VAL 14 Cb 0.00 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.00 0.00 3.52 0.00 -1.26 -5.13 120.51 114.64 1pmr n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.38 0.00 5.75 -1.26 -4.81 116.55 115.86 1pmr n ASP 16 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pmr n ALA 17 N -0.38 0.00 -3.64 2.12 0.00 0.10 -4.82 120.51 113.89 1pmr n ALA 17 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1pmr n ALA 17 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 2.48 -0.81 -0.80 0.00 2.01 -0.45 -2.83 115.64 115.25 1pmr s THR 18 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1pmr s THR 18 Cb 0.00 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 1pmr s THR 18 CO 0.00 0.00 2.22 -0.69 -0.69 0.00 0.00 174.62 175.46 1pmr s VAL 19 N 2.66 3.18 0.10 3.82 1.01 -1.12 -0.93 120.40 129.12 1pmr s VAL 19 Ca -0.07 -0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.46 1pmr s VAL 19 Cb -0.11 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1pmr s VAL 19 CO -0.19 -0.38 1.59 0.00 0.00 0.00 0.00 175.10 176.12 1pmr h ALA 20 N 12.76 -0.86 -1.44 5.51 0.00 -0.28 0.88 119.26 135.82 1pmr h ALA 20 Ca 0.01 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1pmr h ALA 20 Cb 1.03 0.64 -0.23 0.00 0.00 0.00 0.00 17.79 19.22 1pmr h ALA 20 CO 1.10 -1.03 0.15 0.99 0.00 0.00 0.00 179.25 180.45 1pmr s THR 21 N -5.93 -0.48 0.00 0.00 2.01 -1.14 -4.39 115.64 105.71 1pmr s THR 21 Ca -0.17 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1pmr s THR 21 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1pmr s THR 21 CO 0.62 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.34 1pmr n TRP 22 N 4.78 -1.72 -2.06 4.92 7.02 -1.26 -2.56 117.44 126.56 1pmr n TRP 22 Ca -0.13 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1pmr n TRP 22 Cb 0.53 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 -1.63 0.00 -4.37 -5.99 8.25 -1.26 -4.82 115.22 105.41 1pmr n HIS 23 Ca 0.00 -0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 57.09 1pmr n HIS 23 Cb 0.00 0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 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 1.75 0.20 -0.41 2.47 -1.26 -4.84 119.74 117.65 1pmr s LYS 24 Ca 0.04 -1.42 0.02 0.00 -1.56 0.00 0.00 55.97 53.05 1pmr s LYS 24 Cb 0.04 -1.98 0.02 0.00 -1.46 0.00 0.00 37.83 34.46 1pmr s LYS 24 CO -0.02 0.41 0.20 1.63 0.16 0.00 0.00 175.35 177.74 1pmr n LYS 25 N 0.16 1.06 -2.01 4.03 4.76 -1.26 -4.96 118.16 119.93 1pmr n LYS 25 Ca -0.12 -1.16 -0.26 0.00 -2.87 0.00 0.00 58.31 53.90 1pmr n LYS 25 Cb 0.56 0.04 -0.06 0.00 -1.84 0.00 0.00 35.03 33.72 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 -2.85 2.40 0.00 1.97 0.04 -1.26 -3.17 135.00 132.13 1pmr s PRO 26 Ca 0.15 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1pmr s PRO 26 Cb -0.01 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1pmr s PRO 26 CO 0.10 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.64 1pmr n GLY 27 N 6.20 0.54 0.00 0.56 0.00 -0.28 -4.81 105.19 107.40 1pmr n GLY 27 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.49 0.00 0.00 1.61 8.00 -1.19 -4.59 116.55 119.88 1pmr n ASP 28 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 28 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 -3.00 0.00 -1.84 2.24 0.00 -1.26 -4.62 120.51 112.03 1pmr n ALA 29 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1pmr n ALA 29 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1pmr n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pmr s VAL 30 N 0.00 4.57 0.00 0.00 1.01 0.33 -4.92 120.40 121.39 1pmr s VAL 30 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1pmr s VAL 30 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1pmr s VAL 30 CO 0.00 -0.89 0.00 1.33 0.00 0.00 0.00 175.10 175.54 1pmr n VAL 31 N -2.16 0.00 -3.28 2.92 0.24 -1.26 -2.98 118.33 111.81 1pmr n VAL 31 Ca 0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.96 1pmr n VAL 31 Cb 0.54 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 1pmr n VAL 31 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1pmr n ARG 32 N 0.00 3.59 0.00 7.34 0.63 -1.26 -3.16 116.66 123.80 1pmr n ARG 32 Ca 0.00 -4.53 0.00 0.00 -0.92 0.00 0.00 57.85 52.40 1pmr n ARG 32 Cb 0.00 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.44 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pmr n ASP 33 N 1.82 0.00 -2.95 6.15 9.92 -1.25 -4.85 116.55 125.38 1pmr n ASP 33 Ca 0.25 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.42 1pmr n ASP 33 Cb 0.36 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.84 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pmr n GLU 34 N 0.00 1.30 -0.45 -1.24 1.02 -1.16 -4.82 120.64 115.30 1pmr n GLU 34 Ca 0.00 -1.19 -0.15 0.00 -0.02 0.00 0.00 57.16 55.80 1pmr n GLU 34 Cb 0.00 0.18 0.01 0.00 -0.02 0.00 0.00 31.44 31.60 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 35 N -0.82 0.00 -3.09 2.62 3.14 -1.26 -3.29 118.33 115.62 1pmr n VAL 35 Ca -0.02 -0.19 -0.18 0.00 -2.96 0.00 0.00 64.34 60.98 1pmr n VAL 35 Cb 0.21 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.97 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 1.10 1.43 -3.55 6.55 4.32 -1.20 -2.18 117.00 123.47 1pmr n LEU 36 Ca 0.02 -4.97 -0.34 0.00 -0.02 0.00 0.00 56.01 50.69 1pmr n LEU 36 Cb 0.19 0.51 0.03 0.00 -1.62 0.00 0.00 43.42 42.53 1pmr n LEU 36 CO 0.21 2.22 -1.83 0.55 -1.22 0.00 0.00 177.39 177.33 1pmr n VAL 37 N 0.16 0.00 -4.70 4.08 3.14 -1.24 -3.92 118.33 115.85 1pmr n VAL 37 Ca 0.24 -0.06 -0.24 0.00 -2.96 0.00 0.00 64.34 61.33 1pmr n VAL 37 Cb 0.64 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.27 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 -1.77 1.33 0.44 1.45 2.02 -1.06 -2.62 118.70 118.48 1pmr s GLU 38 Ca 0.32 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.62 1pmr s GLU 38 Cb 0.07 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 32.95 1pmr s GLU 38 CO 0.60 0.35 0.11 1.51 0.02 0.00 0.00 175.26 177.86 1pmr n ILE 39 N 2.32 0.00 -3.88 -1.63 0.13 -1.09 0.44 119.36 115.66 1pmr n ILE 39 Ca -0.16 -2.41 -0.18 0.00 -1.10 0.00 0.00 62.75 58.91 1pmr n ILE 39 Cb 0.54 0.78 -0.17 0.00 -0.84 0.00 0.00 39.64 39.95 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 -3.64 0.29 -0.07 9.51 2.02 -0.10 -4.20 118.70 122.51 1pmr s GLU 40 Ca 0.16 0.12 0.15 0.00 0.02 0.00 0.00 54.97 55.41 1pmr s GLU 40 Cb 0.01 -0.53 0.30 0.00 0.10 0.00 0.00 34.13 34.00 1pmr s GLU 40 CO 0.11 -0.18 1.14 -2.37 0.02 0.00 0.00 175.26 173.98 1pmr n THR 41 N 4.38 0.82 -1.40 3.63 5.66 -0.33 -1.34 114.28 125.70 1pmr n THR 41 Ca -0.22 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.30 1pmr n THR 41 Cb 0.50 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.31 -1.87 0.00 1.09 -0.08 -1.26 -4.45 116.55 109.67 1pmr n ASP 42 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1pmr n ASP 42 Cb 0.85 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 43.37 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 -0.11 0.00 -4.79 -0.67 4.81 -1.26 -4.98 118.16 111.17 1pmr n LYS 43 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1pmr n LYS 43 Cb 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 35.03 34.75 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 -1.03 2.97 -0.29 3.15 1.01 -1.26 -5.09 120.40 119.87 1pmr s VAL 44 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1pmr s VAL 44 Cb 0.00 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.28 1pmr s VAL 44 CO 0.00 0.48 0.13 -0.69 0.00 0.00 0.00 175.10 175.02 1pmr s VAL 45 N -0.82 0.01 0.00 2.92 1.01 -1.26 -1.19 120.40 121.07 1pmr s VAL 45 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1pmr s VAL 45 Cb -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1pmr s VAL 45 CO 0.03 -0.71 0.00 0.18 0.00 0.00 0.00 175.10 174.60 1pmr n LEU 46 N 5.22 0.00 0.00 3.92 7.99 -1.26 -4.75 117.00 128.12 1pmr n LEU 46 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1pmr n LEU 46 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1pmr n LEU 46 CO 0.05 -0.32 0.00 -1.84 -1.51 0.00 0.00 177.39 173.77 1pmr n GLU 47 N -0.65 0.00 -2.87 3.23 0.28 -1.26 -2.69 120.64 116.69 1pmr n GLU 47 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1pmr n GLU 47 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1pmr n VAL 48 N 0.00 -0.22 -2.58 3.84 3.14 -1.08 -4.81 118.33 116.63 1pmr n VAL 48 Ca 0.00 -1.63 -0.43 0.00 -2.96 0.00 0.00 64.34 59.33 1pmr n VAL 48 Cb 0.00 0.57 -0.02 0.00 -1.06 0.00 0.00 33.84 33.33 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 0.60 3.59 0.00 1.45 0.04 -1.18 -3.23 135.00 136.28 1pmr s PRO 49 Ca 0.31 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1pmr s PRO 49 Cb 0.07 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1pmr s PRO 49 CO -0.12 -1.58 0.00 0.00 0.04 0.00 0.00 177.00 175.35 1pmr n ALA 50 N 8.25 0.00 -2.17 8.56 0.00 -0.93 -4.83 120.51 129.39 1pmr n ALA 50 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.55 1pmr n ALA 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.17 0.28 0.00 0.00 3.41 -1.26 -2.98 113.62 110.90 1pmr n SER 51 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 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 0.17 0.00 0.00 7.33 0.00 -1.25 -3.89 120.51 122.87 1pmr n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 52 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.16 -4.51 116.55 118.88 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 3.13 3.51 0.44 0.00 -1.26 0.12 105.19 111.13 1pmr n GLY 54 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.63 -0.01 -1.52 -0.61 5.41 -1.26 -4.44 119.36 116.29 1pmr n ILE 55 Ca 0.00 -0.20 -0.39 0.00 1.00 0.00 0.00 62.75 63.16 1pmr n ILE 55 Cb 0.00 -0.87 -0.08 0.00 -0.71 0.00 0.00 39.64 37.98 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 11.09 1.53 -0.13 1.39 7.94 -1.23 -2.47 117.00 135.11 1pmr n LEU 56 Ca 0.61 -0.17 -0.25 0.00 -1.11 0.00 0.00 56.01 55.10 1pmr n LEU 56 Cb 0.14 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 42.68 1pmr n LEU 56 CO 0.91 -1.18 -1.37 -0.67 -1.11 0.00 0.00 177.39 173.97 1pmr n ASP 57 N 13.35 1.93 -3.42 1.96 2.03 -1.26 -1.13 116.55 130.01 1pmr n ASP 57 Ca 0.48 0.17 -0.20 0.00 0.52 0.00 0.00 54.79 55.77 1pmr n ASP 57 Cb 0.32 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.48 -0.16 -0.85 -1.67 0.00 0.12 -5.01 121.76 111.70 1pmr s ALA 58 Ca -0.35 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.71 1pmr s ALA 58 Cb 0.12 -1.78 0.17 0.00 0.00 0.00 0.00 23.12 21.63 1pmr s ALA 58 CO 0.49 -1.84 0.93 0.08 0.00 0.00 0.00 175.76 175.42 1pmr s VAL 59 N 1.98 5.14 -1.80 0.00 1.01 -1.26 -0.79 120.40 124.68 1pmr s VAL 59 Ca 0.12 -1.93 0.18 0.00 0.00 0.00 0.00 61.98 60.34 1pmr s VAL 59 Cb -0.15 -4.61 0.43 0.00 0.00 0.00 0.00 36.38 32.05 1pmr s VAL 59 CO -0.23 -1.26 1.48 0.18 0.00 0.00 0.00 175.10 175.27 1pmr n LEU 60 N 5.36 0.00 -2.84 3.92 4.77 -0.49 -3.14 117.00 124.58 1pmr n LEU 60 Ca 0.16 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 1pmr n LEU 60 Cb 0.48 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1pmr n LEU 60 CO 0.43 -0.04 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.74 1pmr n GLU 61 N -1.10 1.57 -1.54 3.23 1.02 0.17 -4.90 120.64 119.09 1pmr n GLU 61 Ca 0.12 -3.60 -0.55 0.00 -0.02 0.00 0.00 57.16 53.10 1pmr n GLU 61 Cb 0.09 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 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 -0.02 0.74 -3.34 1.62 8.00 -1.19 -4.57 116.55 117.80 1pmr n ASP 62 Ca 0.20 1.14 -0.48 0.00 0.71 0.00 0.00 54.79 56.37 1pmr n ASP 62 Cb 0.71 -1.05 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 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 1.95 0.00 0.00 -1.24 0.28 -1.26 -2.31 120.64 118.06 1pmr n GLU 63 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1pmr n GLU 63 Cb 0.14 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 3.86 0.84 3.96 -1.84 0.00 0.31 -4.87 105.19 107.44 1pmr n GLY 64 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.29 4.44 0.58 2.61 2.01 -0.98 -4.87 115.64 118.14 1pmr s THR 65 Ca 0.00 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 1pmr s THR 65 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1pmr s THR 65 CO 0.00 -0.37 1.02 -0.89 -0.69 0.00 0.00 174.62 173.69 1pmr s THR 66 N -2.38 4.41 0.30 -0.82 2.01 -1.26 -2.78 115.64 115.12 1pmr s THR 66 Ca 0.44 0.98 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 1pmr s THR 66 Cb -0.10 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1pmr s THR 66 CO 0.36 -0.83 0.50 0.54 -0.69 0.00 0.00 174.62 174.50 1pmr s VAL 67 N -2.83 0.00 0.00 3.82 0.11 -1.13 -4.86 120.40 115.51 1pmr s VAL 67 Ca 0.58 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1pmr s VAL 67 Cb -0.12 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1pmr s VAL 67 CO 0.42 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.60 1pmr n THR 68 N -0.47 0.00 -1.83 5.04 -1.04 -1.26 0.01 114.28 114.73 1pmr n THR 68 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1pmr n THR 68 Cb 0.62 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pmr n SER 69 N -1.29 7.13 0.00 8.00 3.41 -1.24 -3.50 113.62 126.14 1pmr n SER 69 Ca 0.00 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1pmr n SER 69 Cb 0.00 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.47 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pmr n ARG 70 N 3.25 0.00 -1.62 4.33 5.12 -0.75 -4.51 116.66 122.48 1pmr n ARG 70 Ca 0.61 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 56.12 1pmr n ARG 70 Cb 0.28 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.60 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1pmr n GLN 71 N 0.00 1.40 -3.29 5.56 1.13 -1.23 -4.33 117.38 116.62 1pmr n GLN 71 Ca 0.00 0.50 -0.42 0.00 -1.94 0.00 0.00 57.00 55.14 1pmr n GLN 71 Cb 0.00 -2.08 -0.08 0.00 0.11 0.00 0.00 30.24 28.18 1pmr n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1pmr s ILE 72 N -1.27 5.06 0.50 5.09 2.07 -1.26 0.01 121.20 131.39 1pmr s ILE 72 Ca 0.63 -0.07 0.24 0.00 -1.41 0.00 0.00 60.65 60.04 1pmr s ILE 72 Cb -0.55 -4.00 0.41 0.00 0.13 0.00 0.00 42.46 38.45 1pmr s ILE 72 CO 0.57 -0.34 1.93 -0.07 -1.91 0.00 0.00 174.94 175.12 1pmr h LEU 73 N 9.08 0.13 0.00 8.50 3.38 -1.25 -3.41 115.31 131.74 1pmr h LEU 73 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pmr h LEU 73 Cb 1.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1pmr h LEU 73 CO 0.78 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1pmr n GLY 74 N -1.63 0.98 3.12 0.83 0.00 -1.18 0.45 105.19 107.76 1pmr n GLY 74 Ca 0.15 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.96 1.17 0.00 1.61 1.70 0.03 -2.35 118.95 119.15 1pmr s ARG 75 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1pmr s ARG 75 Cb 0.00 -1.14 0.00 0.00 -0.57 0.00 0.00 34.95 33.24 1pmr s ARG 75 CO 0.00 0.31 0.00 1.28 -1.08 0.00 0.00 175.30 175.81 1pmr n LEU 76 N 2.69 0.00 -4.65 -1.89 4.77 -1.14 -0.70 117.00 116.08 1pmr n LEU 76 Ca -0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 1pmr n LEU 76 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1pmr n LEU 76 CO 0.24 0.00 -0.29 -0.60 -1.33 0.00 0.00 177.39 175.41 1pmr s ARG 77 N 3.17 2.16 0.05 3.23 3.52 -1.03 -4.18 118.95 125.86 1pmr s ARG 77 Ca 0.00 -1.65 0.04 0.00 -0.13 0.00 0.00 55.73 53.99 1pmr s ARG 77 Cb 0.00 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.34 1pmr s ARG 77 CO 0.00 0.18 -0.06 -2.00 -0.81 0.00 0.00 175.30 172.62 1pmr s GLU 78 N -3.72 2.46 0.00 5.12 -6.30 -1.26 -2.18 118.70 112.81 1pmr s GLU 78 Ca 0.35 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 52.00 1pmr s GLU 78 Cb -0.02 -2.47 0.00 0.00 0.00 0.00 0.00 34.13 31.64 1pmr s GLU 78 CO 0.20 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1pmr n GLY 79 N 1.10 -1.05 0.51 -1.50 0.00 -1.26 -4.91 105.19 98.08 1pmr n GLY 79 Ca -0.14 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.65 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31