#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1or5 h ALA 2 N 0.00 -0.35 -3.32 7.33 0.00 -1.99 -3.45 119.26 117.48 1or5 h ALA 2 Ca 0.00 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 54.16 1or5 h ALA 2 Cb 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 1or5 h ALA 2 CO 0.00 -0.33 -0.62 -1.17 0.00 0.00 0.00 179.25 177.13 1or5 s LEU 3 N -8.36 3.58 0.34 0.00 0.20 -1.26 -5.06 118.68 108.11 1or5 s LEU 3 Ca -0.05 0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.96 1or5 s LEU 3 Cb 0.00 -1.82 -0.06 0.00 -0.43 0.00 0.00 46.19 43.89 1or5 s LEU 3 CO 0.14 0.38 0.06 0.28 -0.29 0.00 0.00 176.35 176.92 1or5 s THR 4 N -0.88 1.16 -0.65 3.68 -1.32 -1.26 -4.89 115.64 111.47 1or5 s THR 4 Ca 0.13 -2.00 0.14 0.00 -1.21 0.00 0.00 61.69 58.75 1or5 s THR 4 Cb -0.11 -2.76 0.13 0.00 -1.51 0.00 0.00 72.50 68.26 1or5 s THR 4 CO 0.02 0.00 1.42 0.55 -2.21 0.00 0.00 174.62 174.40 1or5 n VAL 5 N -0.72 1.31 -0.03 5.08 3.14 -1.26 -0.32 118.33 125.53 1or5 n VAL 5 Ca -0.03 0.49 -0.08 0.00 -2.96 0.00 0.00 64.34 61.76 1or5 n VAL 5 Cb 0.66 -1.43 -0.07 0.00 -1.06 0.00 0.00 33.84 31.94 1or5 n VAL 5 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1or5 h ASP 6 N 0.00 -0.05 0.60 6.55 1.82 -1.97 0.35 116.42 123.72 1or5 h ASP 6 Ca 0.00 -0.48 -0.08 0.00 -0.39 0.00 0.00 57.03 56.08 1or5 h ASP 6 Cb 0.11 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1or5 h ASP 6 CO 0.00 0.66 -0.39 0.44 -1.61 0.00 0.00 179.24 178.35 1or5 h ASP 7 N -0.97 0.00 0.08 2.28 5.19 -1.82 -2.27 116.42 118.92 1or5 h ASP 7 Ca -0.01 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 1or5 h ASP 7 Cb 0.52 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.05 1or5 h ASP 7 CO 0.01 0.39 -0.65 0.25 -3.12 0.00 0.00 179.24 176.11 1or5 h LEU 8 N 0.00 0.43 -0.08 1.55 7.12 -0.76 -3.02 115.31 120.55 1or5 h LEU 8 Ca -0.00 -0.89 0.04 0.00 0.13 0.00 0.00 57.88 57.15 1or5 h LEU 8 Cb 0.79 -0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.73 1or5 h LEU 8 CO 0.05 1.29 -0.30 0.50 -0.13 0.00 0.00 178.44 179.84 1or5 h LYS 9 N -0.36 -0.39 -0.87 1.25 3.64 -0.16 0.70 116.57 120.37 1or5 h LYS 9 Ca -0.11 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1or5 h LYS 9 Cb 1.46 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.30 1or5 h LYS 9 CO 0.12 -0.26 0.57 1.57 -2.27 0.00 0.00 179.45 179.18 1or5 h LYS 10 N -0.41 0.47 -0.01 1.90 2.10 -1.52 0.80 116.57 119.90 1or5 h LYS 10 Ca 0.08 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.56 1or5 h LYS 10 Cb 0.53 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1or5 h LYS 10 CO -0.31 0.31 -0.66 1.25 -2.00 0.00 0.00 179.45 178.04 1or5 h LEU 11 N 0.48 0.05 -0.09 7.07 6.46 -0.53 -1.11 115.31 127.64 1or5 h LEU 11 Ca 0.45 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.15 1or5 h LEU 11 Cb 0.99 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1or5 h LEU 11 CO -0.18 0.70 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.24 1or5 h LEU 12 N 0.03 0.18 0.44 2.25 3.38 0.63 -2.33 115.31 119.89 1or5 h LEU 12 Ca -0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1or5 h LEU 12 Cb 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1or5 h LEU 12 CO 0.09 0.51 -0.21 0.00 0.09 0.00 0.00 178.44 178.92 1or5 h ALA 13 N 0.67 -0.98 -0.81 1.53 0.00 -0.84 1.58 119.26 120.41 1or5 h ALA 13 Ca 0.02 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1or5 h ALA 13 Cb 0.43 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 1or5 h ALA 13 CO 0.01 -0.94 0.16 -1.91 0.00 0.00 0.00 179.25 176.57 1or5 n GLU 14 N -3.83 -0.06 -0.02 0.00 2.13 -0.43 0.20 120.64 118.64 1or5 n GLU 14 Ca -0.07 1.19 -0.01 0.00 0.66 0.00 0.00 57.16 58.92 1or5 n GLU 14 Cb 0.23 -1.96 -0.00 0.00 0.27 0.00 0.00 31.44 29.97 1or5 n GLU 14 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1or5 h THR 15 N 0.00 0.00 0.00 6.31 2.02 -1.27 -3.41 112.91 116.56 1or5 h THR 15 Ca 0.56 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1or5 h THR 15 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1or5 h THR 15 CO -0.72 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.17 1or5 n ALA 16 N -2.62 -0.25 0.00 6.16 0.00 0.54 -5.00 120.51 119.34 1or5 n ALA 16 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1or5 n ALA 16 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1or5 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1or5 n GLY 17 N -0.78 0.41 2.51 0.00 0.00 0.53 -5.00 105.19 102.86 1or5 n GLY 17 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1or5 n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1or5 n GLU 18 N 0.00 2.13 -2.72 1.61 1.02 -1.26 -4.94 120.64 116.48 1or5 n GLU 18 Ca 0.00 -4.45 -0.40 0.00 -0.02 0.00 0.00 57.16 52.29 1or5 n GLU 18 Cb 0.00 -2.15 0.01 0.00 -0.02 0.00 0.00 31.44 29.28 1or5 n GLU 18 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1or5 n ASP 19 N 1.22 6.93 0.00 1.62 5.68 -1.26 -3.70 116.55 127.03 1or5 n ASP 19 Ca 0.27 -3.66 0.00 0.00 -0.50 0.00 0.00 54.79 50.90 1or5 n ASP 19 Cb 0.41 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1or5 n ASP 19 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1or5 n ASP 20 N 0.09 0.00 -2.71 -1.12 9.92 -1.26 -5.00 116.55 116.47 1or5 n ASP 20 Ca 0.43 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.61 1or5 n ASP 20 Cb 0.28 0.10 0.10 0.00 -0.64 0.00 0.00 41.12 40.96 1or5 n ASP 20 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1or5 n SER 21 N -2.19 -2.07 -3.19 -2.24 2.88 -1.26 -5.01 113.62 100.54 1or5 n SER 21 Ca 0.00 -3.02 -0.38 0.00 -1.33 0.00 0.00 58.87 54.14 1or5 n SER 21 Cb 0.00 1.47 0.01 0.00 -0.75 0.00 0.00 64.21 64.94 1or5 n SER 21 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1or5 n VAL 22 N -0.09 4.71 -2.72 2.46 3.14 -1.24 -4.90 118.33 119.68 1or5 n VAL 22 Ca 0.00 -4.59 -0.42 0.00 -2.96 0.00 0.00 64.34 56.37 1or5 n VAL 22 Cb 0.77 -1.59 -0.03 0.00 -1.06 0.00 0.00 33.84 31.93 1or5 n VAL 22 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1or5 s ASP 23 N -0.57 6.50 0.13 6.55 -0.00 -1.26 -4.81 116.67 123.21 1or5 s ASP 23 Ca 0.50 -1.57 -0.12 0.00 -0.00 0.00 0.00 52.55 51.36 1or5 s ASP 23 Cb 0.29 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.92 40.69 1or5 s ASP 23 CO -0.22 -1.36 1.50 -0.07 -0.00 0.00 0.00 175.17 175.02 1or5 h LEU 24 N 11.79 0.91 -1.65 1.23 4.07 -1.91 -2.53 115.31 127.22 1or5 h LEU 24 Ca 0.11 -0.42 0.26 0.00 0.08 0.00 0.00 57.88 57.91 1or5 h LEU 24 Cb 1.02 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 1or5 h LEU 24 CO 1.28 1.13 0.88 0.00 -1.08 0.00 0.00 178.44 180.65 1or5 h ALA 25 N 0.80 2.76 -0.75 1.53 0.00 -1.93 1.49 119.26 123.15 1or5 h ALA 25 Ca 0.08 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.44 1or5 h ALA 25 Cb 0.81 0.07 -0.33 0.00 0.00 0.00 0.00 17.79 18.34 1or5 h ALA 25 CO 0.07 -1.35 -0.17 0.41 0.00 0.00 0.00 179.25 178.21 1or5 n GLY 26 N -1.66 5.97 0.00 0.00 0.00 -0.95 -4.79 105.19 103.76 1or5 n GLY 26 Ca 0.19 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1or5 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1or5 n GLU 27 N -0.85 0.00 0.02 1.61 1.02 0.51 -5.00 120.64 117.95 1or5 n GLU 27 Ca 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.60 1or5 n GLU 27 Cb 0.89 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.31 1or5 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1or5 n LEU 28 N 0.00 1.04 -0.27 -4.62 4.77 -1.21 -4.61 117.00 112.10 1or5 n LEU 28 Ca 0.00 0.14 0.20 0.00 -0.03 0.00 0.00 56.01 56.33 1or5 n LEU 28 Cb 0.00 -0.34 0.51 0.00 -2.33 0.00 0.00 43.42 41.26 1or5 n LEU 28 CO 0.00 -0.51 1.23 -0.78 -1.33 0.00 0.00 177.39 176.00 1or5 h ASP 29 N -0.16 0.42 -2.82 -1.43 3.58 -1.98 -3.38 116.42 110.65 1or5 h ASP 29 Ca -0.03 0.05 -0.53 0.00 0.42 0.00 0.00 57.03 56.95 1or5 h ASP 29 Cb 0.37 -0.02 0.04 0.00 1.72 0.00 0.00 39.33 41.44 1or5 h ASP 29 CO -0.02 0.14 0.88 -0.89 -2.88 0.00 0.00 179.24 176.48 1or5 s THR 30 N -5.44 2.68 0.31 2.25 2.01 -1.26 -4.94 115.64 111.25 1or5 s THR 30 Ca -0.08 0.47 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 1or5 s THR 30 Cb 0.23 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1or5 s THR 30 CO 0.79 0.03 1.07 -2.16 -0.69 0.00 0.00 174.62 173.66 1or5 s PRO 31 N 1.26 4.52 0.25 4.92 0.04 -1.26 -4.59 135.00 140.14 1or5 s PRO 31 Ca 0.70 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 1or5 s PRO 31 Cb -0.43 -3.00 0.39 0.00 0.04 0.00 0.00 34.50 31.49 1or5 s PRO 31 CO 0.31 0.13 1.59 0.74 0.04 0.00 0.00 177.00 179.82 1or5 h PHE 32 N 3.45 -0.38 -1.04 0.56 0.04 -0.11 1.54 116.94 120.99 1or5 h PHE 32 Ca -0.47 0.07 0.28 0.00 2.80 0.00 0.00 57.97 60.65 1or5 h PHE 32 Cb 1.21 0.30 -0.07 0.00 2.20 0.00 0.00 35.95 39.58 1or5 h PHE 32 CO 0.59 -0.35 0.70 -0.24 -0.60 0.00 0.00 178.31 178.41 1or5 h VAL 33 N 0.01 0.51 0.16 -0.55 3.04 -1.76 0.17 116.25 117.83 1or5 h VAL 33 Ca 0.41 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 66.00 1or5 h VAL 33 Cb 0.66 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1or5 h VAL 33 CO -0.84 0.05 -0.08 -0.78 -1.01 0.00 0.00 177.57 174.91 1or5 h ASP 34 N 0.26 -0.18 0.00 3.17 3.58 0.18 -3.39 116.42 120.05 1or5 h ASP 34 Ca 0.56 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1or5 h ASP 34 Cb 1.67 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1or5 h ASP 34 CO -0.19 0.30 0.00 0.18 -2.88 0.00 0.00 179.24 176.65 1or5 n LEU 35 N -4.96 0.00 0.00 2.28 4.32 0.42 -4.99 117.00 114.06 1or5 n LEU 35 Ca -0.08 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1or5 n LEU 35 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1or5 n LEU 35 CO 0.29 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 1or5 n GLY 36 N -0.03 -0.40 2.65 -0.72 0.00 -0.22 -5.08 105.19 101.39 1or5 n GLY 36 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1or5 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1or5 n TYR 37 N -2.17 -0.49 -4.19 1.61 4.02 -1.23 -4.80 117.16 109.90 1or5 n TYR 37 Ca 0.00 0.73 -0.26 0.00 -0.01 0.00 0.00 57.90 58.36 1or5 n TYR 37 Cb 0.00 -1.52 -0.07 0.00 -0.02 0.00 0.00 39.34 37.73 1or5 n TYR 37 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1or5 s ASP 38 N -0.78 4.88 0.31 7.72 1.01 -1.26 -3.76 116.67 124.79 1or5 s ASP 38 Ca 0.50 -0.37 0.08 0.00 0.71 0.00 0.00 52.55 53.46 1or5 s ASP 38 Cb -0.71 -1.08 0.87 0.00 1.01 0.00 0.00 42.92 43.02 1or5 s ASP 38 CO 0.44 0.07 1.69 0.77 0.21 0.00 0.00 175.17 178.35 1or5 h SER 39 N 2.55 0.43 -0.01 0.27 4.64 -1.98 -0.44 113.55 119.01 1or5 h SER 39 Ca -0.47 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1or5 h SER 39 Cb 1.21 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1or5 h SER 39 CO 0.59 -0.03 -0.38 0.25 -0.87 0.00 0.00 176.83 176.38 1or5 h LEU 40 N 0.40 -1.19 -0.94 5.97 5.85 -1.99 0.21 115.31 123.63 1or5 h LEU 40 Ca 0.63 0.13 0.25 0.00 0.84 0.00 0.00 57.88 59.74 1or5 h LEU 40 Cb 1.29 0.45 -0.17 0.00 0.37 0.00 0.00 40.66 42.60 1or5 h LEU 40 CO -0.56 -0.37 0.05 0.00 -0.34 0.00 0.00 178.44 177.22 1or5 h ALA 41 N -0.73 1.13 0.31 1.25 0.00 -1.49 0.64 119.26 120.37 1or5 h ALA 41 Ca 0.01 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1or5 h ALA 41 Cb 0.51 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1or5 h ALA 41 CO -0.26 -0.54 -0.26 -0.07 0.00 0.00 0.00 179.25 178.12 1or5 h LEU 42 N 0.04 -0.70 -1.60 0.00 -0.00 -0.67 -0.46 115.31 111.93 1or5 h LEU 42 Ca 0.57 0.06 0.28 0.00 -0.00 0.00 0.00 57.88 58.78 1or5 h LEU 42 Cb 1.15 0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 41.96 1or5 h LEU 42 CO -0.86 -0.39 0.70 -0.07 -0.00 0.00 0.00 178.44 177.82 1or5 h LEU 43 N -0.59 0.29 0.23 1.67 -0.00 0.32 1.28 115.31 118.51 1or5 h LEU 43 Ca -0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1or5 h LEU 43 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1or5 h LEU 43 CO -0.03 0.06 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.04 1or5 h GLU 44 N 0.26 -0.30 -0.00 1.13 5.08 0.67 -2.84 114.58 118.58 1or5 h GLU 44 Ca 0.55 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1or5 h GLU 44 Cb 1.66 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 1or5 h GLU 44 CO -0.18 -0.20 0.01 0.00 -1.00 0.00 0.00 179.01 177.64 1or5 h THR 45 N -0.40 0.10 0.37 1.13 1.03 -0.36 -2.03 112.91 112.75 1or5 h THR 45 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.35 1or5 h THR 45 Cb 0.24 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1or5 h THR 45 CO 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 175.52 175.37 1or5 h ALA 46 N 1.98 -0.51 0.20 0.00 0.00 0.17 0.57 119.26 121.68 1or5 h ALA 46 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1or5 h ALA 46 Cb 0.02 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1or5 h ALA 46 CO -0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 179.25 178.36 1or5 h ALA 47 N 0.12 -0.27 -0.59 0.00 0.00 -1.13 -0.59 119.26 116.79 1or5 h ALA 47 Ca -0.05 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.94 1or5 h ALA 47 Cb 0.40 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1or5 h ALA 47 CO 0.07 -0.63 0.42 0.28 0.00 0.00 0.00 179.25 179.39 1or5 h VAL 48 N -0.31 0.74 0.26 0.00 2.07 -1.35 1.48 116.25 119.14 1or5 h VAL 48 Ca -0.03 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1or5 h VAL 48 Cb 0.24 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1or5 h VAL 48 CO 0.05 0.02 -0.13 0.25 0.02 0.00 0.00 177.57 177.78 1or5 h LEU 49 N 0.10 -0.30 -0.86 2.57 5.85 0.12 -2.92 115.31 119.87 1or5 h LEU 49 Ca 0.28 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1or5 h LEU 49 Cb 0.99 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1or5 h LEU 49 CO -0.03 0.09 0.00 0.06 -0.34 0.00 0.00 178.44 178.22 1or5 h GLN 50 N -0.73 0.00 0.00 1.25 3.07 0.34 -2.52 115.11 116.51 1or5 h GLN 50 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1or5 h GLN 50 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1or5 h GLN 50 CO 0.06 0.00 -0.03 1.96 0.09 0.00 0.00 178.83 180.91 1or5 h GLN 51 N 0.00 0.00 0.00 0.06 4.20 0.22 -1.76 115.11 117.83 1or5 h GLN 51 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1or5 h GLN 51 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1or5 h GLN 51 CO 0.00 0.03 -0.76 0.54 -0.67 0.00 0.00 178.83 177.97 1or5 n ARG 52 N -3.17 0.49 0.00 1.46 1.74 -0.95 -4.88 116.66 111.35 1or5 n ARG 52 Ca -0.01 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1or5 n ARG 52 Cb 0.24 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1or5 n ARG 52 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1or5 n TYR 53 N -4.56 0.00 0.00 -1.55 4.02 -1.20 -5.08 117.16 108.80 1or5 n TYR 53 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1or5 n TYR 53 Cb 0.39 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1or5 n TYR 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1or5 n GLY 54 N 2.33 -0.90 3.87 2.72 0.00 -0.66 -5.02 105.19 107.54 1or5 n GLY 54 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1or5 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1or5 s ILE 55 N 0.00 2.35 -0.48 -0.61 1.01 -1.26 -5.02 121.20 117.19 1or5 s ILE 55 Ca 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.32 1or5 s ILE 55 Cb 0.00 -2.76 0.36 0.00 0.01 0.00 0.00 42.46 40.07 1or5 s ILE 55 CO 0.00 0.00 0.89 0.00 0.00 0.00 0.00 174.94 175.83 1or5 n ALA 56 N -1.59 3.76 -2.18 9.38 0.00 -1.26 -4.54 120.51 124.08 1or5 n ALA 56 Ca 0.02 -4.14 -0.41 0.00 0.00 0.00 0.00 53.44 48.91 1or5 n ALA 56 Cb 0.63 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1or5 n ALA 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1or5 n LEU 57 N -0.08 7.35 0.00 0.00 0.00 -1.26 -4.71 117.00 118.29 1or5 n LEU 57 Ca 0.28 -4.78 -0.10 0.00 0.00 0.00 0.00 56.01 51.41 1or5 n LEU 57 Cb 0.53 -1.41 0.04 0.00 0.00 0.00 0.00 43.42 42.58 1or5 n LEU 57 CO 0.29 1.73 0.20 0.35 0.00 0.00 0.00 177.39 179.97 1or5 n THR 58 N 2.47 0.00 -0.43 1.96 -2.24 -1.26 -4.69 114.28 110.10 1or5 n THR 58 Ca 0.51 -1.01 0.37 0.00 -2.27 0.00 0.00 64.05 61.65 1or5 n THR 58 Cb 0.30 -0.78 0.64 0.00 -2.10 0.00 0.00 70.33 68.40 1or5 n THR 58 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1or5 h ASP 59 N 0.02 0.25 0.00 3.42 3.58 -1.92 0.49 116.42 122.27 1or5 h ASP 59 Ca -0.15 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1or5 h ASP 59 Cb 0.66 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1or5 h ASP 59 CO 0.20 -0.27 0.00 1.21 -2.88 0.00 0.00 179.24 177.50 1or5 n GLU 60 N -4.85 0.00 0.11 0.28 2.13 -1.26 0.20 120.64 117.24 1or5 n GLU 60 Ca 0.39 0.87 -0.20 0.00 0.66 0.00 0.00 57.16 58.87 1or5 n GLU 60 Cb 1.44 -1.34 -0.15 0.00 0.27 0.00 0.00 31.44 31.66 1or5 n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1or5 h THR 61 N 0.00 1.31 0.00 6.31 1.03 -1.46 -3.18 112.91 116.92 1or5 h THR 61 Ca 0.00 -2.84 0.00 0.00 -0.01 0.00 0.00 66.41 63.56 1or5 h THR 61 Cb 0.00 2.93 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 1or5 h THR 61 CO 0.00 0.85 0.14 0.58 -0.01 0.00 0.00 175.52 177.08 1or5 h VAL 62 N 0.10 0.00 0.01 0.00 2.07 0.22 0.43 116.25 119.08 1or5 h VAL 62 Ca -0.22 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1or5 h VAL 62 Cb 2.07 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1or5 h VAL 62 CO 0.22 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.67 1or5 h GLY 63 N 0.00 0.27 1.75 2.17 0.00 0.22 -3.29 103.07 104.20 1or5 h GLY 63 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1or5 h GLY 63 CO 0.00 0.42 -0.48 0.07 0.00 0.00 0.00 176.54 176.56 1or5 h ARG 64 N -0.41 0.27 -6.33 4.80 0.11 -1.09 -3.44 114.38 108.29 1or5 h ARG 64 Ca -0.05 -0.15 -0.44 0.00 0.10 0.00 0.00 59.98 59.45 1or5 h ARG 64 Cb 1.13 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1or5 h ARG 64 CO 0.07 0.69 -0.34 -0.51 0.10 0.00 0.00 179.97 179.99 1or5 s LEU 65 N -8.16 3.92 0.00 0.08 2.01 -0.41 -5.02 118.68 111.09 1or5 s LEU 65 Ca -0.05 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 53.86 1or5 s LEU 65 Cb 0.13 -2.71 0.00 0.00 0.01 0.00 0.00 46.19 43.61 1or5 s LEU 65 CO 0.79 -0.47 0.67 0.61 1.01 0.00 0.00 176.35 178.96 1or5 n GLY 66 N -1.65 0.63 3.37 -3.19 0.00 -1.26 -4.71 105.19 98.37 1or5 n GLY 66 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1or5 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1or5 s THR 67 N 0.00 1.92 -0.08 2.61 -4.23 -1.26 0.63 115.64 115.23 1or5 s THR 67 Ca 0.00 -2.19 -0.27 0.00 -1.18 0.00 0.00 61.69 58.05 1or5 s THR 67 Cb 0.00 -2.06 -0.23 0.00 1.34 0.00 0.00 72.50 71.55 1or5 s THR 67 CO 0.00 -0.49 1.00 1.55 -0.54 0.00 0.00 174.62 176.15 1or5 h PRO 68 N 2.65 -0.00 -0.96 3.99 0.13 -1.81 -3.06 132.00 132.94 1or5 h PRO 68 Ca -0.39 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.97 1or5 h PRO 68 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1or5 h PRO 68 CO 0.59 0.74 0.63 0.07 -0.23 0.00 0.00 178.00 179.80 1or5 h ARG 69 N -0.75 0.35 0.00 0.86 0.11 -1.95 1.41 114.38 114.41 1or5 h ARG 69 Ca -0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1or5 h ARG 69 Cb 0.74 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.75 1or5 h ARG 69 CO 0.00 0.23 -0.02 0.93 0.10 0.00 0.00 179.97 181.21 1or5 h GLU 70 N 0.36 0.00 0.08 0.08 4.39 -1.93 0.36 114.58 117.92 1or5 h GLU 70 Ca 0.51 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.96 1or5 h GLU 70 Cb 1.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 1or5 h GLU 70 CO -0.19 0.02 -1.14 -0.07 -1.16 0.00 0.00 179.01 176.47 1or5 h LEU 71 N 0.00 0.27 0.12 1.33 -0.00 0.20 -2.24 115.31 114.99 1or5 h LEU 71 Ca -0.00 -0.29 -0.27 0.00 -0.00 0.00 0.00 57.88 57.33 1or5 h LEU 71 Cb 0.69 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1or5 h LEU 71 CO 0.00 1.22 -1.33 0.17 -0.00 0.00 0.00 178.44 178.50 1or5 h LEU 72 N 0.05 0.41 -0.58 1.67 8.10 -0.97 -3.26 115.31 120.73 1or5 h LEU 72 Ca -0.09 -0.87 0.04 0.00 0.11 0.00 0.00 57.88 57.07 1or5 h LEU 72 Cb 1.88 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 41.92 1or5 h LEU 72 CO 0.18 1.59 0.33 -0.78 -4.11 0.00 0.00 178.44 175.64 1or5 h ASP 73 N -0.29 0.51 -0.18 0.17 1.82 -0.40 0.75 116.42 118.79 1or5 h ASP 73 Ca -0.28 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.43 1or5 h ASP 73 Cb 1.76 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 41.62 1or5 h ASP 73 CO 0.08 0.35 -0.30 -0.08 -1.61 0.00 0.00 179.24 177.68 1or5 h GLU 74 N 0.64 -0.33 -0.07 0.28 4.57 -1.53 0.75 114.58 118.89 1or5 h GLU 74 Ca 0.25 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1or5 h GLU 74 Cb 0.09 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1or5 h GLU 74 CO -0.14 -0.22 -0.39 0.28 -1.18 0.00 0.00 179.01 177.36 1or5 h VAL 75 N -0.35 1.30 -0.57 0.32 2.07 -1.48 -1.17 116.25 116.37 1or5 h VAL 75 Ca 0.11 -1.44 -0.25 0.00 0.82 0.00 0.00 66.70 65.95 1or5 h VAL 75 Cb 0.52 1.69 -0.15 0.00 -1.52 0.00 0.00 31.29 31.83 1or5 h VAL 75 CO -0.38 0.42 0.31 0.59 0.02 0.00 0.00 177.57 178.54 1or5 n ASN 76 N -4.05 3.64 0.09 0.57 3.02 0.26 -4.26 115.26 114.53 1or5 n ASN 76 Ca -0.02 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1or5 n ASN 76 Cb 0.45 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1or5 n ASN 76 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1or5 n THR 77 N -0.30 0.39 -1.46 3.41 -1.04 0.24 -4.87 114.28 110.65 1or5 n THR 77 Ca 0.33 0.13 -0.44 0.00 -2.04 0.00 0.00 64.05 62.03 1or5 n THR 77 Cb 1.15 -0.83 -0.12 0.00 -1.82 0.00 0.00 70.33 68.71 1or5 n THR 77 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1or5 n THR 78 N -3.32 0.00 -1.52 12.58 -1.04 -0.52 -4.88 114.28 115.59 1or5 n THR 78 Ca 0.00 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.58 1or5 n THR 78 Cb 0.00 -0.88 0.22 0.00 -1.82 0.00 0.00 70.33 67.85 1or5 n THR 78 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1or5 s PRO 79 N 8.24 -0.48 -0.44 -2.82 0.04 -1.26 -5.00 135.00 133.27 1or5 s PRO 79 Ca 1.27 -0.33 0.07 0.00 0.04 0.00 0.00 61.00 62.05 1or5 s PRO 79 Cb -1.13 -1.71 0.30 0.00 0.04 0.00 0.00 34.50 32.01 1or5 s PRO 79 CO 0.49 -3.18 0.95 0.00 0.04 0.00 0.00 177.00 175.30 1or5 n ALA 80 N -4.32 -0.13 0.16 8.56 0.00 -1.26 -4.97 120.51 118.55 1or5 n ALA 80 Ca 0.15 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1or5 n ALA 80 Cb 0.59 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1or5 n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1or5 n THR 81 N 0.71 0.00 -0.37 0.00 -1.04 -1.26 -5.34 114.28 106.98 1or5 n THR 81 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1or5 n THR 81 Cb 0.66 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1or5 n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43