#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 -0.29 -1.26 -3.46 1.04 -1.15 -4.26 113.70 104.33 1pmr s SER 2 Ca 0.00 0.05 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 1pmr s SER 2 Cb 0.00 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1pmr s SER 2 CO 0.00 -0.46 1.82 0.52 0.98 0.00 0.00 173.24 176.11 1pmr n VAL 3 N -0.07 3.14 -2.83 5.02 0.31 -1.26 -4.64 118.33 117.99 1pmr n VAL 3 Ca -0.06 -3.25 -0.44 0.00 -0.01 0.00 0.00 64.34 60.58 1pmr n VAL 3 Cb 0.60 -2.28 -0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 5.09 6.99 0.52 4.52 1.11 -1.25 -2.35 116.67 131.29 1pmr s ASP 4 Ca 0.59 -2.80 -0.05 0.00 0.18 0.00 0.00 52.55 50.47 1pmr s ASP 4 Cb 0.02 -2.46 -0.02 0.00 1.07 0.00 0.00 42.92 41.54 1pmr s ASP 4 CO 0.10 -0.89 0.83 -0.51 1.18 0.00 0.00 175.17 175.88 1pmr s ILE 5 N 2.42 4.47 0.00 0.77 1.10 -0.75 -4.93 121.20 124.28 1pmr s ILE 5 Ca 0.46 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.73 1pmr s ILE 5 Cb -0.01 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 38.88 1pmr s ILE 5 CO 0.02 -0.72 0.00 0.00 -2.11 0.00 0.00 174.94 172.13 1pmr n LEU 6 N -2.37 0.00 -2.96 8.50 -0.00 -1.26 0.11 117.00 119.02 1pmr n LEU 6 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.84 1pmr n LEU 6 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.96 1pmr n LEU 6 CO 0.53 0.00 -0.08 0.52 -0.00 0.00 0.00 177.39 178.36 1pmr n VAL 7 N 0.00 1.07 -0.25 1.47 0.31 -0.51 -4.67 118.33 115.76 1pmr n VAL 7 Ca 0.00 -4.57 0.00 0.00 -0.01 0.00 0.00 64.34 59.76 1pmr n VAL 7 Cb 0.00 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.01 1.00 -1.28 5.55 -0.04 -1.26 -2.73 135.00 136.25 1pmr n PRO 8 Ca 0.25 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 1pmr n PRO 8 Cb 0.63 -1.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.21 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 1.33 4.32 -3.30 3.54 9.92 -1.26 -4.78 116.55 126.33 1pmr n ASP 9 Ca 0.00 -3.77 -0.25 0.00 -0.53 0.00 0.00 54.79 50.24 1pmr n ASP 9 Cb 0.50 -0.65 -0.09 0.00 -0.64 0.00 0.00 41.12 40.25 1pmr n ASP 9 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pmr n LEU 10 N -0.98 -0.59 0.10 0.64 4.32 -1.26 -4.95 117.00 114.29 1pmr n LEU 10 Ca 0.45 -4.33 -0.19 0.00 -0.02 0.00 0.00 56.01 51.92 1pmr n LEU 10 Cb 0.99 0.58 -0.12 0.00 -1.62 0.00 0.00 43.42 43.25 1pmr n LEU 10 CO 0.41 1.91 -0.03 1.55 -1.22 0.00 0.00 177.39 180.00 1pmr h PRO 11 N 5.25 0.47 0.00 3.23 0.13 -1.87 -3.35 132.00 135.86 1pmr h PRO 11 Ca 0.21 -0.66 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1pmr h PRO 11 Cb 0.92 0.23 0.03 0.00 0.13 0.00 0.00 31.00 32.31 1pmr h PRO 11 CO 0.37 1.29 -0.03 0.39 -0.23 0.00 0.00 178.00 179.79 1pmr n GLU 12 N -3.70 -1.14 0.00 0.86 1.02 -1.26 -4.74 120.64 111.68 1pmr n GLU 12 Ca -0.11 -0.22 0.10 0.00 -0.02 0.00 0.00 57.16 56.92 1pmr n GLU 12 Cb 0.98 -0.35 0.59 0.00 -0.02 0.00 0.00 31.44 32.64 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 -2.24 0.00 -3.41 1.62 2.88 -1.26 -3.63 113.62 107.58 1pmr n SER 13 Ca 0.02 -0.40 -0.40 0.00 -1.33 0.00 0.00 58.87 56.75 1pmr n SER 13 Cb 0.09 -0.11 0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1pmr n SER 13 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pmr n VAL 14 N -1.11 5.31 -0.89 2.46 3.14 -1.26 -4.80 118.33 121.18 1pmr n VAL 14 Ca 0.13 -5.51 -0.11 0.00 -2.96 0.00 0.00 64.34 55.89 1pmr n VAL 14 Cb 0.11 -1.46 -0.06 0.00 -1.06 0.00 0.00 33.84 31.37 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n ALA 15 N -0.20 5.35 -2.80 1.55 0.00 -1.24 -4.81 120.51 118.36 1pmr n ALA 15 Ca 0.48 -1.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 1pmr n ALA 15 Cb 0.26 -1.67 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pmr s ASP 16 N 1.41 0.51 0.00 0.00 1.11 -1.26 -1.38 116.67 117.06 1pmr s ASP 16 Ca 0.36 -0.14 0.00 0.00 0.18 0.00 0.00 52.55 52.95 1pmr s ASP 16 Cb 0.21 -0.04 0.00 0.00 1.07 0.00 0.00 42.92 44.16 1pmr s ASP 16 CO -0.03 0.01 0.00 0.00 1.18 0.00 0.00 175.17 176.32 1pmr n ALA 17 N 2.76 0.00 -3.34 5.23 0.00 -0.64 -4.46 120.51 120.05 1pmr n ALA 17 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1pmr n ALA 17 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.85 -0.94 0.22 0.00 2.01 0.35 -2.75 115.64 112.67 1pmr s THR 18 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1pmr s THR 18 Cb 0.00 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.36 1pmr s THR 18 CO 0.00 0.00 0.95 0.52 -0.69 0.00 0.00 174.62 175.40 1pmr n VAL 19 N 5.42 1.56 -0.02 3.82 0.31 -0.95 -0.76 118.33 127.71 1pmr n VAL 19 Ca -0.06 -0.39 -0.05 0.00 -0.01 0.00 0.00 64.34 63.84 1pmr n VAL 19 Cb 0.51 -0.68 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1pmr n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 20 N 0.63 2.70 -3.18 3.52 0.00 0.81 -1.71 120.51 123.28 1pmr n ALA 20 Ca 0.14 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1pmr n ALA 20 Cb 0.27 0.42 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 1pmr n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 21 N -2.09 -0.93 0.00 0.00 2.01 -1.07 -4.62 115.64 108.93 1pmr s THR 21 Ca -0.06 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1pmr s THR 21 Cb 0.02 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1pmr s THR 21 CO 0.08 -0.02 0.00 0.79 -0.69 0.00 0.00 174.62 174.78 1pmr n TRP 22 N 5.42 -1.58 -2.15 4.92 7.02 -1.26 -2.37 117.44 127.44 1pmr n TRP 22 Ca -0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1pmr n TRP 22 Cb 0.51 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.36 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 -1.49 -0.06 -4.99 -5.99 8.25 -1.26 -4.82 115.22 104.87 1pmr n HIS 23 Ca 0.00 -0.56 -0.27 0.00 -0.26 0.00 0.00 57.72 56.63 1pmr n HIS 23 Cb 0.00 0.38 -0.16 0.00 1.12 0.00 0.00 29.99 31.33 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 1.70 0.52 -0.41 2.47 -1.26 -4.83 119.74 117.89 1pmr s LYS 24 Ca 0.08 -0.72 -0.03 0.00 -1.56 0.00 0.00 55.97 53.75 1pmr s LYS 24 Cb 0.11 -1.61 0.11 0.00 -1.46 0.00 0.00 37.83 34.98 1pmr s LYS 24 CO -0.04 0.41 0.71 1.17 0.16 0.00 0.00 175.35 177.76 1pmr n LYS 25 N 2.66 -0.12 -1.87 4.03 3.00 -1.26 -4.90 118.16 119.71 1pmr n LYS 25 Ca -0.16 -1.68 -0.22 0.00 -0.00 0.00 0.00 58.31 56.26 1pmr n LYS 25 Cb 0.53 -0.56 -0.06 0.00 0.00 0.00 0.00 35.03 34.95 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 -4.36 2.19 -0.44 1.64 0.04 -1.26 -2.99 135.00 129.82 1pmr s PRO 26 Ca 0.45 0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.50 1pmr s PRO 26 Cb -0.02 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1pmr s PRO 26 CO 0.30 -3.78 0.37 0.41 0.04 0.00 0.00 177.00 174.34 1pmr n GLY 27 N 6.83 0.22 0.00 0.56 0.00 -0.51 -4.81 105.19 107.47 1pmr n GLY 27 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.36 0.00 0.00 1.61 9.92 -1.16 -4.60 116.55 120.95 1pmr n ASP 28 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1pmr n ASP 28 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 -3.00 0.00 -3.13 2.24 0.00 -1.18 -4.61 120.51 110.83 1pmr n ALA 29 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1pmr n ALA 29 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.00 0.00 0.00 3.14 0.05 -4.89 118.33 116.63 1pmr n VAL 30 Ca 0.00 -0.67 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1pmr n VAL 30 Cb 0.00 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 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 -1.33 0.00 -1.99 1.55 0.24 -1.26 -2.84 118.33 112.70 1pmr n VAL 31 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 1pmr n VAL 31 Cb 0.20 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 3.94 0.00 7.34 1.74 -1.26 -2.48 116.66 125.94 1pmr n ARG 32 Ca 0.00 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 1pmr n ARG 32 Cb 0.00 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 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 3.20 0.00 -3.68 0.55 8.00 -1.25 -4.99 116.55 118.38 1pmr n ASP 33 Ca 0.56 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.92 1pmr n ASP 33 Cb 0.30 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.37 -0.99 -1.24 0.00 -1.06 -4.79 120.64 112.92 1pmr n GLU 34 Ca 0.00 -1.79 -0.37 0.00 0.00 0.00 0.00 57.16 55.00 1pmr n GLU 34 Cb 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 31.44 31.15 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1pmr n VAL 35 N -2.13 0.00 -3.02 6.31 3.14 -1.26 -3.94 118.33 117.43 1pmr n VAL 35 Ca 0.10 -0.18 -0.15 0.00 -2.96 0.00 0.00 64.34 61.15 1pmr n VAL 35 Cb 0.37 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.16 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 3.45 -0.46 -3.86 6.55 -0.00 -1.12 -2.79 117.00 118.77 1pmr n LEU 36 Ca -0.02 -4.47 -0.37 0.00 -0.00 0.00 0.00 56.01 51.16 1pmr n LEU 36 Cb 0.68 0.78 0.03 0.00 -0.00 0.00 0.00 43.42 44.91 1pmr n LEU 36 CO 0.46 2.18 -1.81 0.55 -0.00 0.00 0.00 177.39 178.77 1pmr n VAL 37 N 0.54 0.00 -3.77 1.47 3.14 -1.25 -4.09 118.33 114.37 1pmr n VAL 37 Ca 0.18 -0.17 -0.30 0.00 -2.96 0.00 0.00 64.34 61.09 1pmr n VAL 37 Cb 0.65 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.29 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 -1.93 1.12 0.00 1.45 2.02 -1.00 -3.16 118.70 117.20 1pmr s GLU 38 Ca 0.36 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.70 1pmr s GLU 38 Cb 0.01 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1pmr s GLU 38 CO 0.69 -1.06 0.00 1.51 0.02 0.00 0.00 175.26 176.42 1pmr n ILE 39 N 4.13 0.00 -3.66 -1.63 0.13 -1.14 -0.13 119.36 117.06 1pmr n ILE 39 Ca 0.04 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.61 1pmr n ILE 39 Cb 0.38 -1.96 -0.09 0.00 -0.84 0.00 0.00 39.64 37.14 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 -2.39 0.39 0.00 9.51 2.02 0.06 -4.53 118.70 123.76 1pmr s GLU 40 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1pmr s GLU 40 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1pmr s GLU 40 CO 0.00 -0.23 0.00 -2.37 0.02 0.00 0.00 175.26 172.68 1pmr n THR 41 N 5.26 0.00 -3.32 3.63 5.66 -1.17 0.13 114.28 124.47 1pmr n THR 41 Ca -0.11 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.69 1pmr n THR 41 Cb 0.50 -0.04 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 1pmr n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pmr s ASP 42 N 0.63 1.23 0.00 1.09 2.15 -1.26 -4.86 116.67 115.64 1pmr s ASP 42 Ca 0.00 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.93 1pmr s ASP 42 Cb 0.00 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1pmr s ASP 42 CO 0.00 -0.22 0.00 1.17 -0.17 0.00 0.00 175.17 175.95 1pmr n LYS 43 N 3.74 0.00 -4.06 4.34 4.81 -1.26 -4.99 118.16 120.75 1pmr n LYS 43 Ca 0.16 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.39 1pmr n LYS 43 Cb 0.46 -0.34 -0.05 0.00 0.02 0.00 0.00 35.03 35.12 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 -1.34 4.01 -0.30 3.15 1.01 -1.26 -5.10 120.40 120.56 1pmr s VAL 44 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.53 1pmr s VAL 44 Cb 0.00 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.28 1pmr s VAL 44 CO 0.00 -0.30 0.39 -0.69 0.00 0.00 0.00 175.10 174.50 1pmr s VAL 45 N -2.22 -0.56 0.80 2.92 1.01 -1.26 -3.04 120.40 118.04 1pmr s VAL 45 Ca 0.35 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1pmr s VAL 45 Cb -0.07 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1pmr s VAL 45 CO 0.25 -0.35 1.16 -0.76 0.00 0.00 0.00 175.10 175.40 1pmr s LEU 46 N 2.38 2.54 0.00 3.92 2.01 -1.26 -4.86 118.68 123.41 1pmr s LEU 46 Ca 0.10 0.86 0.00 0.00 0.01 0.00 0.00 54.13 55.11 1pmr s LEU 46 Cb -0.13 -3.40 0.00 0.00 0.01 0.00 0.00 46.19 42.67 1pmr s LEU 46 CO -0.28 -1.85 0.00 -1.84 1.01 0.00 0.00 176.35 173.39 1pmr n GLU 47 N -3.29 2.58 -3.17 1.70 0.28 -1.26 -2.90 120.64 114.57 1pmr n GLU 47 Ca 0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.86 1pmr n GLU 47 Cb 0.60 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.41 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 -0.74 -2.64 3.84 0.31 -1.19 -4.77 118.33 113.13 1pmr n VAL 48 Ca 0.00 -3.22 -0.42 0.00 -0.01 0.00 0.00 64.34 60.69 1pmr n VAL 48 Cb 0.00 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.32 3.25 0.00 5.55 0.04 -1.13 -2.81 135.00 139.58 1pmr s PRO 49 Ca 0.33 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1pmr s PRO 49 Cb 0.11 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1pmr s PRO 49 CO -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 177.00 174.96 1pmr n ALA 50 N 8.68 0.00 -0.77 8.56 0.00 -1.12 -4.80 120.51 131.06 1pmr n ALA 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pmr n ALA 50 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.41 0.49 0.00 0.00 3.41 -1.26 -2.57 113.62 113.28 1pmr n SER 51 Ca 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1pmr n SER 51 Cb 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.13 0.00 -0.02 7.33 0.00 -1.04 -3.86 120.51 122.80 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.87 0.00 -0.08 -1.13 -4.39 116.55 110.07 1pmr n ASP 53 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1pmr n ASP 53 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 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 0.28 3.56 0.27 0.00 -1.26 -0.77 105.19 107.26 1pmr n GLY 54 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1pmr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pmr s ILE 55 N -1.07 3.39 -0.95 -0.61 1.01 -1.26 -4.06 121.20 117.66 1pmr s ILE 55 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1pmr s ILE 55 Cb 0.00 -3.90 -0.28 0.00 0.01 0.00 0.00 42.46 38.28 1pmr s ILE 55 CO 0.00 -0.85 2.26 -0.11 0.00 0.00 0.00 174.94 176.24 1pmr n LEU 56 N 14.21 -0.59 -0.08 2.97 0.00 -1.25 -2.37 117.00 129.88 1pmr n LEU 56 Ca 0.38 -0.64 -0.13 0.00 0.00 0.00 0.00 56.01 55.61 1pmr n LEU 56 Cb 0.47 -0.81 -0.08 0.00 0.00 0.00 0.00 43.42 43.01 1pmr n LEU 56 CO 0.61 -1.59 -0.27 -0.78 0.00 0.00 0.00 177.39 175.37 1pmr h ASP 57 N 11.66 0.00 -2.21 1.96 3.58 -1.77 -1.36 116.42 128.28 1pmr h ASP 57 Ca 0.02 -0.39 -0.29 0.00 0.42 0.00 0.00 57.03 56.78 1pmr h ASP 57 Cb 1.13 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.85 1pmr h ASP 57 CO 1.48 1.10 -0.61 0.00 -2.88 0.00 0.00 179.24 178.33 1pmr s ALA 58 N -2.46 -0.52 -0.86 -0.78 0.00 -0.22 -4.96 121.76 111.95 1pmr s ALA 58 Ca -0.20 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1pmr s ALA 58 Cb 0.03 -1.64 0.13 0.00 0.00 0.00 0.00 23.12 21.63 1pmr s ALA 58 CO 0.44 -1.49 1.03 0.08 0.00 0.00 0.00 175.76 175.82 1pmr s VAL 59 N 2.39 4.78 -1.44 0.00 1.01 -1.26 -1.21 120.40 124.66 1pmr s VAL 59 Ca 0.09 -1.47 0.15 0.00 0.00 0.00 0.00 61.98 60.74 1pmr s VAL 59 Cb -0.15 -4.71 0.26 0.00 0.00 0.00 0.00 36.38 31.78 1pmr s VAL 59 CO -0.24 -1.42 1.39 0.18 0.00 0.00 0.00 175.10 175.02 1pmr n LEU 60 N 6.40 0.00 -2.42 3.92 4.77 -0.99 -2.52 117.00 126.16 1pmr n LEU 60 Ca 0.17 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 1pmr n LEU 60 Cb 0.48 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1pmr n LEU 60 CO 0.51 -0.14 0.09 -0.62 -1.33 0.00 0.00 177.39 175.89 1pmr n GLU 61 N -1.28 2.71 -1.52 3.23 1.02 0.72 -4.89 120.64 120.62 1pmr n GLU 61 Ca 0.07 -3.89 -0.56 0.00 -0.02 0.00 0.00 57.16 52.76 1pmr n GLU 61 Cb 0.11 -1.95 -0.07 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.59 0.42 -0.20 1.62 9.92 -1.05 -4.42 116.55 122.25 1pmr n ASP 62 Ca 0.27 1.15 -0.02 0.00 -0.53 0.00 0.00 54.79 55.66 1pmr n ASP 62 Cb 0.86 -1.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1pmr n ASP 62 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pmr n GLU 63 N 1.74 0.00 0.00 -1.24 -0.58 -1.26 -2.52 120.64 116.78 1pmr n GLU 63 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1pmr n GLU 63 Cb 0.13 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pmr n GLY 64 N 0.09 2.05 3.88 0.62 0.00 -0.69 -4.96 105.19 106.18 1pmr n GLY 64 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.50 3.95 0.47 2.61 2.01 -1.05 -4.84 115.64 116.29 1pmr s THR 65 Ca 0.00 0.63 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 1pmr s THR 65 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1pmr s THR 65 CO 0.00 -0.82 0.73 -0.89 -0.69 0.00 0.00 174.62 172.94 1pmr s THR 66 N -3.29 4.30 0.27 -0.82 2.01 -1.26 -2.25 115.64 114.60 1pmr s THR 66 Ca 0.57 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 1pmr s THR 66 Cb -0.11 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 1pmr s THR 66 CO 0.53 -0.51 0.46 0.54 -0.69 0.00 0.00 174.62 174.95 1pmr s VAL 67 N -2.65 0.00 0.00 3.82 0.11 -1.11 -4.81 120.40 115.76 1pmr s VAL 67 Ca 0.48 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1pmr s VAL 67 Cb -0.10 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1pmr s VAL 67 CO 0.41 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.25 1pmr n THR 68 N -0.41 0.00 -0.83 5.04 5.66 -1.26 -1.63 114.28 120.85 1pmr n THR 68 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 1pmr n THR 68 Cb 0.62 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.44 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1pmr n SER 69 N 0.00 6.26 0.00 1.09 3.41 -0.48 -3.98 113.62 119.92 1pmr n SER 69 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1pmr n SER 69 Cb 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1pmr n SER 69 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1pmr n ARG 70 N 0.34 0.00 -3.46 4.33 1.85 -1.11 -4.14 116.66 114.47 1pmr n ARG 70 Ca 0.29 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.75 1pmr n ARG 70 Cb 0.60 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.92 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1pmr s GLN 71 N 0.00 3.94 -0.32 2.89 -1.52 -1.26 -4.73 119.66 118.66 1pmr s GLN 71 Ca 0.00 -0.14 -0.29 0.00 -1.95 0.00 0.00 55.36 52.98 1pmr s GLN 71 Cb 0.00 -3.67 -0.01 0.00 -0.22 0.00 0.00 33.01 29.10 1pmr s GLN 71 CO 0.00 -0.27 1.65 -1.50 -0.25 0.00 0.00 175.29 174.92 1pmr s ILE 72 N 1.95 3.64 0.30 1.08 2.07 -1.26 -1.42 121.20 127.56 1pmr s ILE 72 Ca 0.12 0.67 0.05 0.00 -1.41 0.00 0.00 60.65 60.08 1pmr s ILE 72 Cb -0.16 -3.80 0.29 0.00 0.13 0.00 0.00 42.46 38.93 1pmr s ILE 72 CO 0.10 -0.46 1.70 -0.07 -1.91 0.00 0.00 174.94 174.30 1pmr h LEU 73 N 12.76 0.38 0.00 8.50 3.38 0.55 -3.42 115.31 137.46 1pmr h LEU 73 Ca -0.32 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pmr h LEU 73 Cb 1.15 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1pmr h LEU 73 CO 1.03 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1pmr n GLY 74 N -1.33 -1.00 3.19 0.83 0.00 -1.19 0.26 105.19 105.95 1pmr n GLY 74 Ca 0.23 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.80 0.92 0.00 1.61 1.70 -0.35 -1.81 118.95 119.22 1pmr s ARG 75 Ca 0.00 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1pmr s ARG 75 Cb 0.00 -0.98 0.00 0.00 -0.57 0.00 0.00 34.95 33.40 1pmr s ARG 75 CO 0.00 0.23 0.00 1.28 -1.08 0.00 0.00 175.30 175.73 1pmr n LEU 76 N 1.34 0.00 -0.09 -1.89 4.77 -0.99 -1.05 117.00 119.09 1pmr n LEU 76 Ca -0.20 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.59 1pmr n LEU 76 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1pmr n LEU 76 CO 0.22 0.00 -1.07 -1.14 -1.33 0.00 0.00 177.39 174.07 1pmr n ARG 77 N 0.00 0.40 0.00 3.23 3.00 -1.00 -4.22 116.66 118.07 1pmr n ARG 77 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1pmr n ARG 77 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1pmr n ARG 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1pmr n GLU 78 N -3.90 0.00 0.00 -0.14 2.13 -1.26 -2.92 120.64 114.55 1pmr n GLU 78 Ca -0.34 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.48 1pmr n GLU 78 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.43 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 0.30 0.00 8.31 0.00 -1.26 -4.62 105.19 107.92 1pmr n GLY 79 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31