#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 -0.36 -1.09 4.04 1.04 -1.26 -2.73 113.70 113.34 1pmr s SER 2 Ca 0.00 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 1pmr s SER 2 Cb 0.00 0.63 -0.08 0.00 0.10 0.00 0.00 66.02 66.67 1pmr s SER 2 CO 0.00 -1.11 1.95 -0.69 0.98 0.00 0.00 173.24 174.37 1pmr s VAL 3 N -3.85 3.50 -1.11 5.02 1.01 -0.66 -4.34 120.40 119.97 1pmr s VAL 3 Ca 0.07 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1pmr s VAL 3 Cb -0.02 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1pmr s VAL 3 CO -0.03 -0.95 1.83 -1.81 0.00 0.00 0.00 175.10 174.14 1pmr s ASP 4 N 7.06 5.64 -0.00 3.32 1.11 -1.26 -2.95 116.67 129.59 1pmr s ASP 4 Ca 0.69 -1.53 0.03 0.00 0.18 0.00 0.00 52.55 51.92 1pmr s ASP 4 Cb -0.03 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 1pmr s ASP 4 CO 0.09 -2.37 -0.06 -0.51 1.18 0.00 0.00 175.17 173.50 1pmr s ILE 5 N 8.51 3.71 0.00 0.77 1.10 -1.17 -5.03 121.20 129.09 1pmr s ILE 5 Ca 0.63 -0.73 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 1pmr s ILE 5 Cb -0.01 -2.60 0.00 0.00 0.15 0.00 0.00 42.46 39.99 1pmr s ILE 5 CO 0.05 0.41 0.00 0.00 -2.11 0.00 0.00 174.94 173.29 1pmr n LEU 6 N 1.61 0.00 -2.74 8.50 -0.00 -1.26 0.21 117.00 123.33 1pmr n LEU 6 Ca -0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.78 1pmr n LEU 6 Cb 0.53 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.01 1pmr n LEU 6 CO 0.31 0.00 0.28 0.52 -0.00 0.00 0.00 177.39 178.50 1pmr n VAL 7 N 0.00 0.00 -1.43 1.47 0.31 0.11 -4.50 118.33 114.29 1pmr n VAL 7 Ca 0.00 -1.41 -0.40 0.00 -0.01 0.00 0.00 64.34 62.52 1pmr n VAL 7 Cb 0.00 1.45 -0.02 0.00 -0.91 0.00 0.00 33.84 34.36 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 1.31 2.68 -0.11 5.55 -0.04 -1.16 -3.25 135.00 139.98 1pmr n PRO 8 Ca 0.07 -2.26 0.01 0.00 -0.04 0.00 0.00 63.50 61.29 1pmr n PRO 8 Cb 0.66 -3.04 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 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 5.69 0.83 -2.94 3.54 8.00 -1.26 -5.02 116.55 125.39 1pmr n ASP 9 Ca 0.56 -1.73 -0.20 0.00 0.71 0.00 0.00 54.79 54.13 1pmr n ASP 9 Cb 0.34 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1pmr n ASP 9 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pmr n LEU 10 N -0.32 -0.40 0.00 0.64 4.77 -1.26 -4.85 117.00 115.59 1pmr n LEU 10 Ca 0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1pmr n LEU 10 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1pmr n LEU 10 CO 0.00 -0.71 0.00 -0.81 -1.33 0.00 0.00 177.39 174.54 1pmr n PRO 11 N 4.55 1.62 -1.65 3.23 -0.04 -1.26 -4.86 135.00 136.58 1pmr n PRO 11 Ca 0.44 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 63.28 1pmr n PRO 11 Cb 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.43 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 0.28 -1.34 0.54 4.07 -1.26 -4.59 120.64 118.34 1pmr n GLU 12 Ca 0.00 0.10 -0.54 0.00 -0.06 0.00 0.00 57.16 56.66 1pmr n GLU 12 Cb 0.00 -1.64 -0.11 0.00 -0.06 0.00 0.00 31.44 29.63 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1pmr n SER 13 N 3.30 1.06 0.00 4.31 2.88 -1.26 -4.78 113.62 119.12 1pmr n SER 13 Ca 0.26 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1pmr n SER 13 Cb 0.03 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 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 6.86 0.00 0.00 2.46 0.31 -1.26 -5.07 118.33 121.63 1pmr n VAL 14 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1pmr n VAL 14 Cb 0.05 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.83 0.00 0.00 3.52 0.00 -1.26 -5.16 120.51 115.78 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 -3.47 0.00 0.00 0.00 177.50 174.03 1pmr n ASP 16 N -0.44 0.00 -0.95 0.00 -0.08 -1.26 -5.00 116.55 108.82 1pmr n ASP 16 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pmr n ALA 17 N 0.00 0.00 -3.56 -1.67 0.00 0.33 -4.57 120.51 111.04 1pmr n ALA 17 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 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 -2.59 -0.00 -0.98 0.00 2.01 -0.93 -2.19 115.64 110.96 1pmr s THR 18 Ca 0.00 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1pmr s THR 18 Cb 0.00 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 1pmr s THR 18 CO 0.00 0.00 2.04 -0.69 -0.69 0.00 0.00 174.62 175.28 1pmr s VAL 19 N 0.64 3.36 0.10 3.82 1.01 -0.73 0.20 120.40 128.79 1pmr s VAL 19 Ca -0.02 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1pmr s VAL 19 Cb -0.05 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1pmr s VAL 19 CO -0.04 -0.71 1.38 0.00 0.00 0.00 0.00 175.10 175.74 1pmr h ALA 20 N 11.13 -0.51 -1.65 5.51 0.00 0.10 0.51 119.26 134.35 1pmr h ALA 20 Ca 0.10 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1pmr h ALA 20 Cb 0.99 1.14 -0.25 0.00 0.00 0.00 0.00 17.79 19.66 1pmr h ALA 20 CO 1.16 -0.75 0.29 0.99 0.00 0.00 0.00 179.25 180.94 1pmr s THR 21 N -4.80 0.00 0.00 0.00 2.01 -1.01 -4.19 115.64 107.65 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 0.43 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.15 1pmr n TRP 22 N 3.86 -2.39 -2.11 4.92 7.02 -1.26 -2.54 117.44 124.94 1pmr n TRP 22 Ca -0.19 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1pmr n TRP 22 Cb 0.58 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.46 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 -2.14 0.00 -4.78 -5.99 8.25 -1.26 -4.83 115.22 104.47 1pmr n HIS 23 Ca 0.00 -0.21 -0.32 0.00 -0.26 0.00 0.00 57.72 56.93 1pmr n HIS 23 Cb 0.00 0.12 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 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 3.04 0.18 -0.41 2.47 -1.26 -4.84 119.74 118.93 1pmr s LYS 24 Ca 0.07 -0.85 -0.03 0.00 -1.56 0.00 0.00 55.97 53.60 1pmr s LYS 24 Cb 0.09 -2.42 0.04 0.00 -1.46 0.00 0.00 37.83 34.08 1pmr s LYS 24 CO -0.04 0.03 0.25 1.63 0.16 0.00 0.00 175.35 177.38 1pmr n LYS 25 N 3.95 -0.25 -2.00 4.03 4.76 -1.26 -4.89 118.16 122.50 1pmr n LYS 25 Ca -0.20 -0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 54.45 1pmr n LYS 25 Cb 0.52 -0.26 -0.03 0.00 -1.84 0.00 0.00 35.03 33.42 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 -3.55 2.95 -1.26 1.97 0.04 -1.26 -3.29 135.00 130.60 1pmr s PRO 26 Ca 0.14 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1pmr s PRO 26 Cb -0.00 -4.30 0.01 0.00 0.04 0.00 0.00 34.50 30.24 1pmr s PRO 26 CO 0.10 -2.32 0.93 0.41 0.04 0.00 0.00 177.00 176.16 1pmr n GLY 27 N 5.57 -0.37 0.00 0.56 0.00 -0.81 -4.81 105.19 105.34 1pmr n GLY 27 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.08 0.00 0.00 1.61 9.92 -1.21 -4.62 116.55 119.17 1pmr n ASP 28 Ca -0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1pmr n ASP 28 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 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 -2.09 2.24 0.00 -1.26 -4.71 120.51 111.69 1pmr n ALA 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 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 0.54 0.00 0.00 0.00 177.50 178.04 1pmr s VAL 30 N 0.00 2.50 0.00 0.00 0.11 -0.17 -4.95 120.40 117.89 1pmr s VAL 30 Ca 0.00 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1pmr s VAL 30 Cb 0.00 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1pmr s VAL 30 CO 0.00 0.00 0.00 1.33 -3.33 0.00 0.00 175.10 173.10 1pmr n VAL 31 N -1.94 0.00 -3.09 2.04 0.24 -1.26 -2.75 118.33 111.57 1pmr n VAL 31 Ca 0.09 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.06 1pmr n VAL 31 Cb 0.61 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 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 3.61 0.00 7.34 1.74 -1.26 -1.89 116.66 126.20 1pmr n ARG 32 Ca 0.00 -4.69 0.00 0.00 -0.77 0.00 0.00 57.85 52.39 1pmr n ARG 32 Cb 0.00 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 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 0.57 0.00 -4.65 0.55 9.92 -1.26 -4.93 116.55 116.75 1pmr n ASP 33 Ca 0.32 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.33 1pmr n ASP 33 Cb 0.36 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.95 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1pmr s GLU 34 N 0.00 1.67 0.49 -1.24 -6.30 -0.39 -4.84 118.70 108.09 1pmr s GLU 34 Ca 0.00 -0.71 -0.11 0.00 -2.50 0.00 0.00 54.97 51.65 1pmr s GLU 34 Cb 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 34.13 31.84 1pmr s GLU 34 CO 0.00 -1.53 -0.33 1.55 0.02 0.00 0.00 175.26 174.97 1pmr n VAL 35 N -3.01 0.00 -3.15 3.70 3.14 -1.26 -3.69 118.33 114.06 1pmr n VAL 35 Ca 0.13 -0.30 -0.17 0.00 -2.96 0.00 0.00 64.34 61.03 1pmr n VAL 35 Cb 0.60 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.36 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 1.89 0.53 -3.71 6.55 4.32 -1.19 -2.66 117.00 122.72 1pmr n LEU 36 Ca 0.01 -4.88 -0.36 0.00 -0.02 0.00 0.00 56.01 50.76 1pmr n LEU 36 Cb 0.32 0.74 0.03 0.00 -1.62 0.00 0.00 43.42 42.89 1pmr n LEU 36 CO 0.32 2.27 -1.94 0.55 -1.22 0.00 0.00 177.39 177.38 1pmr n VAL 37 N 0.29 0.00 -3.72 4.08 3.14 -1.25 -4.05 118.33 116.83 1pmr n VAL 37 Ca 0.23 -0.04 -0.29 0.00 -2.96 0.00 0.00 64.34 61.28 1pmr n VAL 37 Cb 0.66 0.00 -0.15 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 -1.86 0.66 0.00 1.45 2.02 -1.05 -3.14 118.70 116.78 1pmr s GLU 38 Ca 0.34 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1pmr s GLU 38 Cb 0.08 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.38 1pmr s GLU 38 CO 0.63 -0.90 0.00 1.51 0.02 0.00 0.00 175.26 176.52 1pmr n ILE 39 N 4.94 0.00 -3.44 -1.63 3.06 -1.12 0.14 119.36 121.31 1pmr n ILE 39 Ca -0.05 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.94 1pmr n ILE 39 Cb 0.43 -1.95 -0.11 0.00 0.54 0.00 0.00 39.64 38.55 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pmr s GLU 40 N -1.41 0.57 -0.23 9.51 0.41 0.54 -4.11 118.70 123.97 1pmr s GLU 40 Ca 0.00 -1.24 0.03 0.00 -0.41 0.00 0.00 54.97 53.35 1pmr s GLU 40 Cb 0.00 -1.18 0.38 0.00 -1.78 0.00 0.00 34.13 31.55 1pmr s GLU 40 CO 0.00 -1.21 1.47 2.41 -0.49 0.00 0.00 175.26 177.44 1pmr n THR 41 N 4.07 2.14 -1.68 3.63 -1.04 -0.64 -2.20 114.28 118.56 1pmr n THR 41 Ca 0.12 -1.02 -0.00 0.00 -2.04 0.00 0.00 64.05 61.11 1pmr n THR 41 Cb 0.39 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pmr n ASP 42 N -0.33 -2.70 0.00 8.00 -0.08 -1.26 -4.08 116.55 116.10 1pmr n ASP 42 Ca 0.31 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1pmr n ASP 42 Cb 1.11 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 43.05 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 -0.88 0.00 -3.50 -0.67 4.81 -1.26 -4.93 118.16 111.72 1pmr n LYS 43 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1pmr n LYS 43 Cb 0.35 -0.22 -0.06 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 -1.30 4.64 -0.51 3.15 1.01 -1.26 -5.02 120.40 121.10 1pmr s VAL 44 Ca 0.00 -2.31 -0.19 0.00 0.00 0.00 0.00 61.98 59.48 1pmr s VAL 44 Cb 0.00 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1pmr s VAL 44 CO 0.00 -0.90 0.62 -0.69 0.00 0.00 0.00 175.10 174.13 1pmr s VAL 45 N 0.60 4.90 0.91 2.92 1.01 -1.26 -1.63 120.40 127.84 1pmr s VAL 45 Ca 0.13 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1pmr s VAL 45 Cb -0.20 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.03 1pmr s VAL 45 CO -0.04 -0.83 1.25 -0.76 0.00 0.00 0.00 175.10 174.72 1pmr s LEU 46 N 2.55 2.54 0.00 3.92 1.43 -1.26 -4.76 118.68 123.11 1pmr s LEU 46 Ca 0.14 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1pmr s LEU 46 Cb -0.20 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1pmr s LEU 46 CO 0.11 -2.44 0.08 -1.84 0.23 0.00 0.00 176.35 172.49 1pmr n GLU 47 N -3.62 0.76 -3.24 1.70 0.00 -1.26 -2.81 120.64 112.17 1pmr n GLU 47 Ca 0.12 -3.64 -0.22 0.00 0.00 0.00 0.00 57.16 53.42 1pmr n GLU 47 Cb 0.60 0.87 -0.07 0.00 0.00 0.00 0.00 31.44 32.83 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1pmr n VAL 48 N -1.36 -0.93 -2.69 3.84 3.14 -1.19 -4.83 118.33 114.31 1pmr n VAL 48 Ca -0.17 -2.97 -0.43 0.00 -2.96 0.00 0.00 64.34 57.81 1pmr n VAL 48 Cb 0.64 -1.11 -0.02 0.00 -1.06 0.00 0.00 33.84 32.29 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 0.14 4.26 0.49 1.45 0.04 -1.17 -3.19 135.00 137.01 1pmr s PRO 49 Ca 0.33 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1pmr s PRO 49 Cb 0.05 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.97 1pmr s PRO 49 CO -0.17 -0.61 0.68 0.00 0.04 0.00 0.00 177.00 176.94 1pmr s ALA 50 N 3.12 4.19 -0.73 8.56 0.00 -1.09 -4.90 121.76 130.92 1pmr s ALA 50 Ca 0.43 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1pmr s ALA 50 Cb -0.15 -1.87 0.20 0.00 0.00 0.00 0.00 23.12 21.30 1pmr s ALA 50 CO 0.07 -0.52 0.61 -1.13 0.00 0.00 0.00 175.76 174.78 1pmr n SER 51 N -2.10 3.41 0.00 0.00 3.41 -1.26 -1.26 113.62 115.82 1pmr n SER 51 Ca 0.08 -3.26 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1pmr n SER 51 Cb 0.59 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.77 0.00 -0.90 7.33 0.00 -0.79 -4.87 120.51 123.04 1pmr n ALA 52 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1pmr n ALA 52 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.67 0.00 0.00 0.00 8.00 -1.11 -4.81 116.55 117.96 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 1.99 3.51 0.44 0.00 -0.98 -1.00 105.19 109.15 1pmr n GLY 54 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 -0.01 -1.51 -0.61 5.41 -1.26 -4.36 119.36 115.01 1pmr n ILE 55 Ca 0.00 -0.18 -0.26 0.00 1.00 0.00 0.00 62.75 63.31 1pmr n ILE 55 Cb 0.00 -0.75 -0.18 0.00 -0.71 0.00 0.00 39.64 38.00 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 10.66 -0.50 -0.08 1.39 7.94 -1.26 -3.36 117.00 131.80 1pmr n LEU 56 Ca 0.62 -0.51 -0.10 0.00 -1.11 0.00 0.00 56.01 54.91 1pmr n LEU 56 Cb 0.12 -0.81 -0.09 0.00 0.53 0.00 0.00 43.42 43.17 1pmr n LEU 56 CO 0.92 -1.44 -1.03 -0.67 -1.11 0.00 0.00 177.39 174.06 1pmr n ASP 57 N 8.76 2.25 -3.40 1.96 2.03 -1.26 -1.93 116.55 124.97 1pmr n ASP 57 Ca 0.63 -0.06 -0.17 0.00 0.52 0.00 0.00 54.79 55.72 1pmr n ASP 57 Cb 0.17 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.35 -0.49 -0.71 -1.67 0.00 0.21 -4.97 121.76 111.79 1pmr s ALA 58 Ca -0.18 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1pmr s ALA 58 Cb 0.05 -1.81 0.18 0.00 0.00 0.00 0.00 23.12 21.55 1pmr s ALA 58 CO 0.47 -1.71 0.57 0.08 0.00 0.00 0.00 175.76 175.17 1pmr s VAL 59 N 2.37 4.46 -1.52 0.00 1.01 -1.26 0.16 120.40 125.63 1pmr s VAL 59 Ca 0.09 -2.77 0.15 0.00 0.00 0.00 0.00 61.98 59.45 1pmr s VAL 59 Cb -0.14 -3.84 0.28 0.00 0.00 0.00 0.00 36.38 32.69 1pmr s VAL 59 CO -0.33 -0.94 1.39 0.18 0.00 0.00 0.00 175.10 175.40 1pmr n LEU 60 N 3.67 0.00 -2.66 3.92 4.77 -0.90 -2.80 117.00 123.00 1pmr n LEU 60 Ca 0.10 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 1pmr n LEU 60 Cb 0.41 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1pmr n LEU 60 CO 0.34 -0.12 0.06 -0.62 -1.33 0.00 0.00 177.39 175.71 1pmr n GLU 61 N -1.24 2.51 -1.65 3.23 1.02 0.52 -4.91 120.64 120.12 1pmr n GLU 61 Ca 0.08 -4.09 -0.53 0.00 -0.02 0.00 0.00 57.16 52.59 1pmr n GLU 61 Cb 0.11 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 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 -0.26 2.24 0.00 1.62 8.00 -1.12 -4.31 116.55 122.72 1pmr n ASP 62 Ca 0.28 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.86 1pmr n ASP 62 Cb 0.67 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 4.09 0.00 0.00 -1.24 1.02 -1.26 -1.97 120.64 121.28 1pmr n GLU 63 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1pmr n GLU 63 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pmr n GLY 64 N 0.00 3.26 3.39 0.62 0.00 0.18 -4.92 105.19 107.72 1pmr n GLY 64 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 1.34 -3.14 2.61 -1.04 -0.83 -4.26 114.28 108.96 1pmr n THR 65 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 1pmr n THR 65 Cb 0.00 -0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 68.18 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 -1.49 4.57 0.22 12.58 2.01 -1.26 -1.78 115.64 130.49 1pmr s THR 66 Ca 0.62 1.39 -0.12 0.00 0.31 0.00 0.00 61.69 63.89 1pmr s THR 66 Cb -0.66 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 67.88 1pmr s THR 66 CO 0.60 0.46 0.42 0.54 -0.69 0.00 0.00 174.62 175.95 1pmr s VAL 67 N -1.22 0.02 0.00 3.82 0.11 -0.93 -4.92 120.40 117.27 1pmr s VAL 67 Ca 0.35 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1pmr s VAL 67 Cb -0.20 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1pmr s VAL 67 CO 0.22 -0.09 0.00 1.07 -3.33 0.00 0.00 175.10 172.97 1pmr n THR 68 N -0.33 0.00 0.00 5.04 5.66 -1.26 0.12 114.28 123.51 1pmr n THR 68 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1pmr n THR 68 Cb 0.62 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 1pmr n THR 68 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1pmr n SER 69 N -2.87 0.00 -1.38 1.09 7.64 -1.25 -4.61 113.62 112.23 1pmr n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pmr n SER 69 Cb 0.49 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.33 0.95 -3.43 1.43 1.74 -1.20 0.05 116.66 114.87 1pmr n ARG 70 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 1pmr n ARG 70 Cb 0.00 -1.03 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.09 2.89 -0.49 5.56 -0.21 -1.26 -4.83 119.66 121.40 1pmr s GLN 71 Ca 0.00 -1.93 -0.44 0.00 0.02 0.00 0.00 55.36 53.01 1pmr s GLN 71 Cb 0.00 -4.15 -0.19 0.00 1.00 0.00 0.00 33.01 29.67 1pmr s GLN 71 CO 0.00 -1.26 2.07 1.51 -2.12 0.00 0.00 175.29 175.49 1pmr n ILE 72 N 4.77 0.01 -0.33 1.08 3.06 -1.26 -4.34 119.36 122.36 1pmr n ILE 72 Ca -0.05 -0.01 0.04 0.00 -2.50 0.00 0.00 62.75 60.23 1pmr n ILE 72 Cb 0.41 -0.56 0.19 0.00 0.54 0.00 0.00 39.64 40.22 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 8.64 0.83 0.00 9.51 3.38 -0.46 -3.43 115.31 133.78 1pmr h LEU 73 Ca -0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pmr h LEU 73 Cb 1.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pmr h LEU 73 CO 1.07 0.48 0.00 0.61 0.09 0.00 0.00 178.44 180.69 1pmr n GLY 74 N -1.34 2.30 3.58 0.83 0.00 -1.19 0.19 105.19 109.57 1pmr n GLY 74 Ca 0.16 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 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 2.89 0.00 1.61 1.70 0.43 -3.03 118.95 120.55 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 -2.65 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 1pmr s ARG 75 CO 0.00 0.62 0.00 1.28 -1.08 0.00 0.00 175.30 176.12 1pmr n LEU 76 N 2.37 0.00 -4.23 -1.89 4.32 -1.15 0.63 117.00 117.05 1pmr n LEU 76 Ca -0.18 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.63 1pmr n LEU 76 Cb 0.53 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.22 1pmr n LEU 76 CO 0.28 0.00 -0.45 -0.60 -1.22 0.00 0.00 177.39 175.39 1pmr s ARG 77 N 1.19 0.98 0.00 3.23 6.06 -1.21 -3.76 118.95 125.43 1pmr s ARG 77 Ca 0.00 -1.17 0.00 0.00 -2.50 0.00 0.00 55.73 52.06 1pmr s ARG 77 Cb 0.00 -0.90 0.00 0.00 0.06 0.00 0.00 34.95 34.11 1pmr s ARG 77 CO 0.00 0.18 0.00 -1.91 -2.50 0.00 0.00 175.30 171.07 1pmr n GLU 78 N 0.72 0.00 -2.07 5.12 4.07 -1.11 -1.65 120.64 125.72 1pmr n GLU 78 Ca -0.17 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.92 1pmr n GLU 78 Cb 0.56 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pmr n GLY 79 N 0.00 4.17 0.00 8.31 0.00 -1.26 -4.63 105.19 111.78 1pmr n GLY 79 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31