#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 -1.64 -3.80 -3.46 3.41 -1.26 -2.95 113.62 103.92 1pmr n SER 2 Ca 0.00 -1.89 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 1pmr n SER 2 Cb 0.00 2.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.63 1pmr n SER 2 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pmr n VAL 3 N -0.65 3.62 -2.28 -3.33 0.31 -1.19 -4.64 118.33 110.18 1pmr n VAL 3 Ca -0.03 -3.29 -0.34 0.00 -0.01 0.00 0.00 64.34 60.68 1pmr n VAL 3 Cb 0.54 -2.56 -0.04 0.00 -0.91 0.00 0.00 33.84 30.87 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 2.87 5.76 0.30 4.52 1.01 -1.24 -2.94 116.67 126.95 1pmr s ASP 4 Ca 0.46 -1.60 0.06 0.00 0.71 0.00 0.00 52.55 52.17 1pmr s ASP 4 Cb 0.13 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1pmr s ASP 4 CO -0.07 -2.26 0.43 -0.51 0.21 0.00 0.00 175.17 172.98 1pmr s ILE 5 N 8.08 4.54 0.00 0.77 1.10 -0.41 -4.95 121.20 130.33 1pmr s ILE 5 Ca 0.61 -0.97 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 1pmr s ILE 5 Cb -0.01 -3.59 0.00 0.00 0.15 0.00 0.00 42.46 39.01 1pmr s ILE 5 CO 0.05 -0.23 0.00 0.00 -2.11 0.00 0.00 174.94 172.64 1pmr n LEU 6 N -1.57 0.00 -2.91 8.50 -0.00 -1.26 0.84 117.00 120.61 1pmr n LEU 6 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.79 1pmr n LEU 6 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1pmr n LEU 6 CO 0.43 0.00 -0.07 0.52 -0.00 0.00 0.00 177.39 178.28 1pmr n VAL 7 N 0.00 1.15 0.07 1.47 0.31 -1.24 -4.67 118.33 115.41 1pmr n VAL 7 Ca 0.00 -4.45 -0.01 0.00 -0.01 0.00 0.00 64.34 59.87 1pmr n VAL 7 Cb 0.00 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.02 1.04 0.00 5.55 -0.04 -1.25 -1.92 135.00 138.37 1pmr n PRO 8 Ca 0.24 -0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1pmr n PRO 8 Cb 0.64 -1.04 0.03 0.00 -0.04 0.00 0.00 33.50 33.10 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 1.03 2.21 -3.23 3.54 9.92 -1.26 -4.58 116.55 124.18 1pmr n ASP 9 Ca 0.02 -1.60 -0.25 0.00 -0.53 0.00 0.00 54.79 52.42 1pmr n ASP 9 Cb 0.52 0.27 -0.06 0.00 -0.64 0.00 0.00 41.12 41.20 1pmr n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr n LEU 10 N 0.46 2.54 0.01 0.64 -0.00 -1.25 -4.91 117.00 114.49 1pmr n LEU 10 Ca 0.10 -5.23 -0.05 0.00 -0.00 0.00 0.00 56.01 50.83 1pmr n LEU 10 Cb 0.45 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.74 1pmr n LEU 10 CO 0.19 2.16 0.14 1.55 -0.00 0.00 0.00 177.39 181.43 1pmr h PRO 11 N 3.72 -0.13 -6.23 1.47 0.13 -1.87 -3.36 132.00 125.73 1pmr h PRO 11 Ca 0.14 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.70 1pmr h PRO 11 Cb 0.73 0.03 0.20 0.00 0.13 0.00 0.00 31.00 32.09 1pmr h PRO 11 CO 0.69 0.09 -1.09 0.39 -0.23 0.00 0.00 178.00 177.85 1pmr n GLU 12 N -4.85 0.09 0.00 0.86 -0.58 -1.26 -4.50 120.64 110.41 1pmr n GLU 12 Ca -0.04 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1pmr n GLU 12 Cb 0.14 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1pmr n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pmr n SER 13 N 1.77 -0.38 -2.78 1.62 3.41 -1.26 -4.59 113.62 111.40 1pmr n SER 13 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.57 1pmr n SER 13 Cb 0.51 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pmr n VAL 14 N 0.00 -0.00 0.90 -3.33 0.31 -1.26 -4.94 118.33 110.01 1pmr n VAL 14 Ca 0.00 -1.93 0.13 0.00 -0.01 0.00 0.00 64.34 62.54 1pmr n VAL 14 Cb 0.00 1.20 0.47 0.00 -0.91 0.00 0.00 33.84 34.60 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 0.22 2.62 -0.96 3.52 0.00 -1.26 -5.01 120.51 119.65 1pmr n ALA 15 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1pmr n ALA 15 Cb 0.72 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pmr n ASP 16 N -1.68 -0.91 0.00 0.00 8.00 -1.26 -4.96 116.55 115.75 1pmr n ASP 16 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1pmr n ASP 16 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 17 N 4.05 0.00 -3.66 2.24 0.00 -0.08 -4.56 120.51 118.50 1pmr n ALA 17 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1pmr n ALA 17 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.46 -0.47 -0.36 0.00 2.01 0.93 -2.91 115.64 112.37 1pmr s THR 18 Ca 0.00 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1pmr s THR 18 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1pmr s THR 18 CO 0.00 0.03 1.98 -0.69 -0.69 0.00 0.00 174.62 175.25 1pmr s VAL 19 N 2.23 3.30 -0.05 3.82 1.01 -0.57 -0.85 120.40 129.29 1pmr s VAL 19 Ca -0.06 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1pmr s VAL 19 Cb -0.10 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1pmr s VAL 19 CO -0.16 -0.34 0.51 0.00 0.00 0.00 0.00 175.10 175.11 1pmr h ALA 20 N 14.46 -0.41 -1.50 5.51 0.00 -1.01 0.12 119.26 136.43 1pmr h ALA 20 Ca -0.33 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.59 1pmr h ALA 20 Cb 1.20 0.16 -0.26 0.00 0.00 0.00 0.00 17.79 18.88 1pmr h ALA 20 CO 1.06 -0.38 0.33 0.99 0.00 0.00 0.00 179.25 181.24 1pmr s THR 21 N -2.95 -0.08 0.00 0.00 2.01 -1.16 -4.21 115.64 109.25 1pmr s THR 21 Ca -0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1pmr s THR 21 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1pmr s THR 21 CO 0.20 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.92 1pmr n TRP 22 N 3.94 -2.14 -2.12 4.92 7.02 -1.26 -2.47 117.44 125.32 1pmr n TRP 22 Ca -0.17 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.29 1pmr n TRP 22 Cb 0.57 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.43 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 -1.89 0.00 -5.25 -5.99 8.25 -1.26 -4.82 115.22 104.27 1pmr n HIS 23 Ca 0.00 -0.32 -0.31 0.00 -0.26 0.00 0.00 57.72 56.82 1pmr n HIS 23 Cb 0.00 0.22 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 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 2.35 0.82 -0.41 2.47 -1.26 -4.78 119.74 118.93 1pmr s LYS 24 Ca 0.08 -0.89 -0.06 0.00 -1.56 0.00 0.00 55.97 53.54 1pmr s LYS 24 Cb 0.09 -2.13 0.17 0.00 -1.46 0.00 0.00 37.83 34.50 1pmr s LYS 24 CO -0.04 0.49 1.13 0.15 0.16 0.00 0.00 175.35 177.23 1pmr s LYS 25 N -0.42 1.19 -0.48 4.03 1.02 -1.26 -4.96 119.74 118.86 1pmr s LYS 25 Ca 0.04 -0.98 -0.27 0.00 0.02 0.00 0.00 55.97 54.77 1pmr s LYS 25 Cb -0.12 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1pmr s LYS 25 CO 0.01 -1.87 1.79 -1.25 -0.92 0.00 0.00 175.35 173.11 1pmr s PRO 26 N -5.43 3.00 -0.34 -1.68 0.04 -1.26 -3.02 135.00 126.32 1pmr s PRO 26 Ca 0.70 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1pmr s PRO 26 Cb -0.04 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1pmr s PRO 26 CO 0.48 -2.27 0.28 0.41 0.04 0.00 0.00 177.00 175.94 1pmr n GLY 27 N 5.52 0.56 0.00 0.56 0.00 -1.01 -4.78 105.19 106.05 1pmr n GLY 27 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.41 -1.20 -2.74 1.61 9.92 -1.17 -4.54 116.55 118.85 1pmr n ASP 28 Ca -0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1pmr n ASP 28 Cb 0.52 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr n ALA 29 N -2.95 -2.20 -1.87 2.24 0.00 -1.19 -2.51 120.51 112.03 1pmr n ALA 29 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 1pmr n ALA 29 Cb 0.00 -1.83 0.09 0.00 0.00 0.00 0.00 19.45 17.71 1pmr n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pmr s VAL 30 N 0.85 2.20 0.00 0.00 0.11 0.69 -4.84 120.40 119.40 1pmr s VAL 30 Ca 0.29 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1pmr s VAL 30 Cb 0.05 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1pmr s VAL 30 CO -0.08 -0.08 0.00 1.33 -3.33 0.00 0.00 175.10 172.93 1pmr n VAL 31 N -3.32 0.00 -2.21 2.04 0.24 -1.26 -1.98 118.33 111.84 1pmr n VAL 31 Ca 0.08 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.02 1pmr n VAL 31 Cb 0.60 -0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.00 3.23 0.00 7.34 1.74 -1.26 -2.75 116.66 124.96 1pmr n ARG 32 Ca 0.00 -4.00 0.00 0.00 -0.77 0.00 0.00 57.85 53.08 1pmr n ARG 32 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 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 -0.46 0.00 -4.93 0.55 8.00 -1.25 -4.92 116.55 113.53 1pmr n ASP 33 Ca 0.48 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.77 1pmr n ASP 33 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pmr s GLU 34 N 0.00 3.05 0.52 -1.24 2.56 -1.04 -4.81 118.70 117.74 1pmr s GLU 34 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 54.97 53.84 1pmr s GLU 34 Cb 0.00 -2.71 -0.08 0.00 2.00 0.00 0.00 34.13 33.34 1pmr s GLU 34 CO 0.00 0.18 -0.44 1.55 -0.56 0.00 0.00 175.26 175.99 1pmr n VAL 35 N -1.47 0.00 -3.19 3.70 3.14 -1.26 -3.17 118.33 116.07 1pmr n VAL 35 Ca -0.03 -0.25 -0.22 0.00 -2.96 0.00 0.00 64.34 60.88 1pmr n VAL 35 Cb 0.58 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.30 1pmr n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n LEU 36 N 1.81 0.31 -3.72 6.55 -0.00 -1.17 -2.49 117.00 118.28 1pmr n LEU 36 Ca -0.01 -4.76 -0.35 0.00 -0.00 0.00 0.00 56.01 50.89 1pmr n LEU 36 Cb 0.29 0.66 0.03 0.00 -0.00 0.00 0.00 43.42 44.41 1pmr n LEU 36 CO 0.27 2.12 -1.66 0.55 -0.00 0.00 0.00 177.39 178.67 1pmr n VAL 37 N 1.14 0.00 -4.77 1.47 3.14 -1.24 -4.03 118.33 114.05 1pmr n VAL 37 Ca 0.22 -0.21 -0.30 0.00 -2.96 0.00 0.00 64.34 61.09 1pmr n VAL 37 Cb 0.56 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.86 1.68 0.03 1.45 2.02 -1.03 -2.91 118.70 118.08 1pmr s GLU 38 Ca 0.35 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1pmr s GLU 38 Cb -0.02 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 1pmr s GLU 38 CO 0.69 0.49 0.02 1.51 0.02 0.00 0.00 175.26 177.98 1pmr n ILE 39 N 1.58 0.00 -3.75 -1.63 0.13 -1.02 -0.43 119.36 114.24 1pmr n ILE 39 Ca -0.17 -0.20 -0.13 0.00 -1.10 0.00 0.00 62.75 61.15 1pmr n ILE 39 Cb 0.52 0.08 -0.11 0.00 -0.84 0.00 0.00 39.64 39.30 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 -2.12 0.38 -0.07 9.51 2.02 -0.03 -4.43 118.70 123.96 1pmr s GLU 40 Ca 0.02 0.50 0.15 0.00 0.02 0.00 0.00 54.97 55.67 1pmr s GLU 40 Cb 0.00 0.15 0.31 0.00 0.10 0.00 0.00 34.13 34.69 1pmr s GLU 40 CO 0.02 -0.06 1.14 -2.37 0.02 0.00 0.00 175.26 174.00 1pmr n THR 41 N 3.10 0.76 -0.63 3.63 5.66 0.46 -0.05 114.28 127.21 1pmr n THR 41 Ca -0.15 -1.44 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 1pmr n THR 41 Cb 0.57 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 -0.25 -1.90 0.00 1.09 -0.08 -1.26 -4.38 116.55 109.77 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 0.87 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1pmr n ASP 42 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pmr n LYS 43 N -2.63 0.00 -4.04 -0.67 4.76 -1.26 -5.13 118.16 109.19 1pmr n LYS 43 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1pmr n LYS 43 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pmr s VAL 44 N 0.00 4.77 -0.32 -0.18 1.01 -1.26 -5.08 120.40 119.34 1pmr s VAL 44 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1pmr s VAL 44 Cb 0.00 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.22 1pmr s VAL 44 CO 0.00 0.20 0.15 -0.69 0.00 0.00 0.00 175.10 174.76 1pmr s VAL 45 N -1.35 0.36 0.60 2.92 1.01 -1.26 -0.40 120.40 122.28 1pmr s VAL 45 Ca 0.28 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1pmr s VAL 45 Cb -0.12 -1.28 0.14 0.00 0.00 0.00 0.00 36.38 35.11 1pmr s VAL 45 CO 0.21 -0.79 0.81 0.18 0.00 0.00 0.00 175.10 175.51 1pmr n LEU 46 N 4.71 0.00 0.00 3.92 7.99 -1.26 -4.69 117.00 127.67 1pmr n LEU 46 Ca 0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 55.11 1pmr n LEU 46 Cb 0.40 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 43.09 1pmr n LEU 46 CO 0.10 -1.09 0.00 -1.84 -1.51 0.00 0.00 177.39 173.05 1pmr n GLU 47 N -2.74 0.00 -3.21 3.23 0.28 -1.25 -2.42 120.64 114.53 1pmr n GLU 47 Ca 0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.88 1pmr n GLU 47 Cb 0.35 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.16 1pmr n GLU 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1pmr n VAL 48 N 0.00 -0.82 -2.64 3.84 0.31 -1.15 -4.75 118.33 113.13 1pmr n VAL 48 Ca 0.00 -3.26 -0.43 0.00 -0.01 0.00 0.00 64.34 60.64 1pmr n VAL 48 Cb 0.00 -1.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pmr s PRO 49 N -0.27 3.74 0.00 5.55 0.04 -1.15 -3.06 135.00 139.84 1pmr s PRO 49 Ca 0.33 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1pmr s PRO 49 Cb 0.10 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1pmr s PRO 49 CO -0.16 -1.31 0.00 0.00 0.04 0.00 0.00 177.00 175.58 1pmr n ALA 50 N 7.64 0.00 -1.10 8.56 0.00 -1.04 -4.89 120.51 129.68 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 0.49 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 -2.81 0.83 0.00 0.00 3.41 -1.26 -2.51 113.62 111.27 1pmr n SER 51 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1pmr n SER 51 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.97 7.33 0.00 -1.11 -3.88 120.51 121.52 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 2.76 0.00 0.00 0.00 9.92 -0.84 -4.70 116.55 123.69 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pmr n GLY 54 N 0.00 0.74 3.51 0.44 0.00 -1.23 -0.22 105.19 108.43 1pmr n GLY 54 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.73 -0.01 -1.53 -0.61 5.41 -1.04 -4.02 119.36 115.83 1pmr n ILE 55 Ca 0.00 -0.29 -0.28 0.00 1.00 0.00 0.00 62.75 63.18 1pmr n ILE 55 Cb 0.00 -0.87 -0.12 0.00 -0.71 0.00 0.00 39.64 37.93 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 10.83 0.70 -0.11 1.39 7.94 -1.25 -3.50 117.00 132.99 1pmr n LEU 56 Ca 0.60 -0.60 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 1pmr n LEU 56 Cb 0.17 -1.17 -0.12 0.00 0.53 0.00 0.00 43.42 42.83 1pmr n LEU 56 CO 0.91 -1.61 -1.28 -0.67 -1.11 0.00 0.00 177.39 173.63 1pmr n ASP 57 N 12.63 1.99 -3.14 1.96 -0.08 -1.24 -2.40 116.55 126.27 1pmr n ASP 57 Ca 0.55 -0.02 -0.18 0.00 -1.51 0.00 0.00 54.79 53.62 1pmr n ASP 57 Cb 0.28 -0.53 -0.06 0.00 2.34 0.00 0.00 41.12 43.16 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 -3.37 1.09 -2.61 -1.67 0.00 0.18 -5.01 120.51 109.13 1pmr n ALA 58 Ca -0.45 -2.38 -0.43 0.00 0.00 0.00 0.00 53.44 50.18 1pmr n ALA 58 Cb 0.98 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 0.25 4.15 -0.90 0.00 1.01 -1.26 -1.54 120.40 122.10 1pmr s VAL 59 Ca 0.32 -1.72 0.14 0.00 0.00 0.00 0.00 61.98 60.72 1pmr s VAL 59 Cb 0.05 -5.14 0.12 0.00 0.00 0.00 0.00 36.38 31.41 1pmr s VAL 59 CO -0.15 -1.97 1.44 0.18 0.00 0.00 0.00 175.10 174.60 1pmr n LEU 60 N 8.27 0.11 -2.56 3.92 4.77 -1.08 -2.63 117.00 127.81 1pmr n LEU 60 Ca 0.44 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.72 1pmr n LEU 60 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1pmr n LEU 60 CO 0.73 -0.35 0.13 -0.62 -1.33 0.00 0.00 177.39 175.95 1pmr n GLU 61 N -1.63 2.99 -1.47 3.23 -0.58 0.27 -4.96 120.64 118.49 1pmr n GLU 61 Ca 0.03 -4.30 -0.54 0.00 -0.42 0.00 0.00 57.16 51.92 1pmr n GLU 61 Cb 0.15 -2.07 -0.06 0.00 -0.57 0.00 0.00 31.44 28.90 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pmr n ASP 62 N -0.38 -0.34 -3.13 1.62 8.00 -1.08 -4.54 116.55 116.71 1pmr n ASP 62 Ca 0.33 1.15 -0.38 0.00 0.71 0.00 0.00 54.79 56.60 1pmr n ASP 62 Cb 0.67 -0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.34 0.00 0.00 -1.24 0.28 -1.26 -2.56 120.64 117.20 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 0.16 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.13 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 1.21 1.64 3.88 -1.84 0.00 0.42 -4.94 105.19 105.56 1pmr n GLY 64 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.14 4.77 0.92 2.61 2.01 -1.06 -4.78 115.64 117.96 1pmr s THR 65 Ca 0.00 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 62.53 1pmr s THR 65 Cb 0.00 -3.77 0.14 0.00 0.01 0.00 0.00 72.50 68.88 1pmr s THR 65 CO 0.00 -0.66 1.09 -0.89 -0.69 0.00 0.00 174.62 173.47 1pmr s THR 66 N -2.55 2.50 0.24 -0.82 2.01 -1.26 -1.51 115.64 114.25 1pmr s THR 66 Ca 0.52 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.57 1pmr s THR 66 Cb -0.10 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1pmr s THR 66 CO 0.36 -0.21 0.42 0.54 -0.69 0.00 0.00 174.62 175.04 1pmr s VAL 67 N -2.97 0.00 0.00 3.82 0.11 -1.15 -4.65 120.40 115.57 1pmr s VAL 67 Ca 0.64 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1pmr s VAL 67 Cb -0.18 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1pmr s VAL 67 CO 0.57 -0.01 0.00 0.41 -3.33 0.00 0.00 175.10 172.73 1pmr n THR 68 N -0.36 0.00 -0.63 5.04 -1.04 -1.26 -0.90 114.28 115.13 1pmr n THR 68 Ca -0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.84 1pmr n THR 68 Cb 0.62 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.20 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 0.00 5.35 0.00 8.00 3.41 -1.21 -4.09 113.62 125.08 1pmr n SER 69 Ca 0.00 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 1pmr n SER 69 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 0.03 0.00 -2.74 4.33 1.74 -0.81 -3.77 116.66 115.44 1pmr n ARG 70 Ca 0.32 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 1pmr n ARG 70 Cb 0.78 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.20 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 3.70 -0.49 5.56 -0.21 -1.26 -4.58 119.66 122.38 1pmr s GLN 71 Ca 0.00 -1.62 -0.39 0.00 0.02 0.00 0.00 55.36 53.37 1pmr s GLN 71 Cb 0.00 -5.19 -0.16 0.00 1.00 0.00 0.00 33.01 28.66 1pmr s GLN 71 CO 0.00 -2.01 2.23 1.51 -2.12 0.00 0.00 175.29 174.90 1pmr n ILE 72 N 6.08 0.07 -0.28 1.08 3.06 -1.26 -3.63 119.36 124.48 1pmr n ILE 72 Ca 0.32 -0.13 0.04 0.00 -2.50 0.00 0.00 62.75 60.48 1pmr n ILE 72 Cb 0.49 -1.03 0.18 0.00 0.54 0.00 0.00 39.64 39.82 1pmr n ILE 72 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1pmr h LEU 73 N 11.00 0.57 0.00 9.51 3.38 0.17 -3.43 115.31 136.51 1pmr h LEU 73 Ca -0.17 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pmr h LEU 73 Cb 1.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1pmr h LEU 73 CO 1.09 0.29 0.00 0.61 0.09 0.00 0.00 178.44 180.53 1pmr n GLY 74 N -1.32 -0.24 2.93 0.83 0.00 -1.19 0.96 105.19 107.17 1pmr n GLY 74 Ca 0.14 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 0.68 0.00 1.61 1.70 -0.59 -1.29 118.95 119.06 1pmr s ARG 75 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1pmr s ARG 75 Cb 0.00 -0.68 0.00 0.00 -0.57 0.00 0.00 34.95 33.70 1pmr s ARG 75 CO 0.00 0.02 0.00 1.28 -1.08 0.00 0.00 175.30 175.52 1pmr n LEU 76 N 3.52 0.00 -3.74 -1.89 4.32 -1.15 -0.64 117.00 117.41 1pmr n LEU 76 Ca -0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.69 1pmr n LEU 76 Cb 0.54 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 1pmr n LEU 76 CO 0.24 0.00 0.19 -0.60 -1.22 0.00 0.00 177.39 176.00 1pmr s ARG 77 N 0.61 1.24 0.00 3.23 6.06 -1.23 -3.71 118.95 125.15 1pmr s ARG 77 Ca 0.00 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 1pmr s ARG 77 Cb 0.00 0.48 0.00 0.00 0.06 0.00 0.00 34.95 35.49 1pmr s ARG 77 CO 0.00 -0.50 0.00 -1.91 -2.50 0.00 0.00 175.30 170.39 1pmr n GLU 78 N -0.28 0.00 -0.21 5.12 2.13 -1.15 -3.17 120.64 123.08 1pmr n GLU 78 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1pmr n GLU 78 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pmr n GLY 79 N 0.00 -1.10 0.00 8.31 0.00 -1.26 -4.79 105.19 106.35 1pmr n GLY 79 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02