#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5p s ASN 2 N 0.00 7.16 0.04 3.17 0.01 -1.26 -0.73 114.94 123.32 2k5p s ASN 2 Ca 0.00 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 2k5p s ASN 2 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 2k5p s ASN 2 CO 0.00 -0.41 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.38 2k5p s LEU 3 N 1.07 2.32 -0.18 0.60 1.43 0.11 -0.35 118.68 123.68 2k5p s LEU 3 Ca 0.57 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2k5p s LEU 3 Cb -0.27 0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2k5p s LEU 3 CO 0.29 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 175.59 2k5p s THR 4 N -2.18 3.85 -0.07 5.49 2.01 -0.76 -0.85 115.64 123.14 2k5p s THR 4 Ca -0.08 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 2k5p s THR 4 Cb -0.05 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.77 2k5p s THR 4 CO -0.03 0.46 -0.03 0.54 -0.69 0.00 0.00 174.62 174.86 2k5p s VAL 5 N 0.77 0.57 -1.71 3.82 0.11 -0.84 -0.77 120.40 122.36 2k5p s VAL 5 Ca -0.01 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2k5p s VAL 5 Cb -0.14 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2k5p s VAL 5 CO 0.02 0.27 0.00 0.59 -3.33 0.00 0.00 175.10 172.65 2k5p n ASN 6 N 4.64 -5.29 -0.26 3.54 5.03 -1.26 -0.66 115.26 121.00 2k5p n ASN 6 Ca -0.15 0.15 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 2k5p n ASN 6 Cb 0.50 -4.37 -0.01 0.00 -1.02 0.00 0.00 39.78 34.88 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5p n GLY 7 N -0.91 0.64 3.49 7.41 0.00 -1.26 -5.03 105.19 109.53 2k5p n GLY 7 Ca -0.21 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 2k5p n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5p s LYS 8 N -1.80 3.60 -0.15 1.61 1.02 0.17 -5.07 119.74 119.12 2k5p s LYS 8 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.16 2k5p s LYS 8 Cb 0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2k5p s LYS 8 CO 0.00 -0.29 1.71 -2.14 -0.92 0.00 0.00 175.35 173.71 2k5p s PRO 9 N 1.66 3.88 0.14 -1.68 0.02 -1.26 -1.98 135.00 135.77 2k5p s PRO 9 Ca 0.06 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.04 2k5p s PRO 9 Cb -0.16 -4.06 -0.01 0.00 0.02 0.00 0.00 34.50 30.29 2k5p s PRO 9 CO 0.07 -1.20 0.13 0.45 -0.33 0.00 0.00 177.00 176.12 2k5p n SER 10 N 8.27 -0.34 -3.65 2.53 2.88 -0.03 -5.02 113.62 118.26 2k5p n SER 10 Ca 0.19 -1.87 -0.05 0.00 -1.33 0.00 0.00 58.87 55.82 2k5p n SER 10 Cb 0.44 0.75 -0.06 0.00 -0.75 0.00 0.00 64.21 64.59 2k5p n SER 10 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k5p s THR 11 N -2.56 -0.33 -0.61 2.46 -1.32 -1.26 -0.71 115.64 111.32 2k5p s THR 11 Ca 0.15 0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.46 2k5p s THR 11 Cb 0.01 -0.98 0.12 0.00 -1.51 0.00 0.00 72.50 70.13 2k5p s THR 11 CO 0.11 0.00 0.68 0.68 -2.21 0.00 0.00 174.62 173.88 2k5p s VAL 12 N 2.04 4.95 0.11 5.08 -7.23 0.09 -4.84 120.40 120.60 2k5p s VAL 12 Ca -0.09 -1.22 -0.25 0.00 -1.81 0.00 0.00 61.98 58.62 2k5p s VAL 12 Cb -0.07 -4.47 -0.07 0.00 0.56 0.00 0.00 36.38 32.33 2k5p s VAL 12 CO -0.19 -1.08 0.77 -0.62 -0.31 0.00 0.00 175.10 173.67 2k5p s ASP 13 N 3.54 7.31 0.00 4.85 -1.08 -1.26 0.30 116.67 130.34 2k5p s ASP 13 Ca 0.11 1.56 0.00 0.00 -0.52 0.00 0.00 52.55 53.69 2k5p s ASP 13 Cb -0.24 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2k5p s ASP 13 CO 0.04 0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.47 2k5p n GLY 14 N 1.93 0.87 3.31 2.66 0.00 -1.26 -4.92 105.19 107.79 2k5p n GLY 14 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 2k5p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5p s ALA 15 N -2.05 3.76 -1.27 4.61 0.00 -1.25 -5.00 121.76 120.56 2k5p s ALA 15 Ca 0.00 -2.73 -0.18 0.00 0.00 0.00 0.00 51.96 49.05 2k5p s ALA 15 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2k5p s ALA 15 CO 0.00 -2.08 1.91 -0.85 0.00 0.00 0.00 175.76 174.73 2k5p n GLU 16 N 4.94 2.70 -3.28 0.00 0.00 -1.26 -4.42 120.64 119.32 2k5p n GLU 16 Ca -0.07 -2.86 -0.09 0.00 0.00 0.00 0.00 57.16 54.14 2k5p n GLU 16 Cb 0.42 -3.44 0.00 0.00 0.00 0.00 0.00 31.44 28.42 2k5p n GLU 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k5p n SER 17 N 8.78 -6.86 -4.87 -1.84 7.64 -1.26 -4.97 113.62 110.23 2k5p n SER 17 Ca 0.49 -0.29 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 2k5p n SER 17 Cb 0.44 -4.11 -0.05 0.00 -1.01 0.00 0.00 64.21 59.47 2k5p n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k5p s LEU 18 N -4.11 4.33 0.86 -3.43 1.43 -1.26 -4.82 118.68 111.67 2k5p s LEU 18 Ca 0.04 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 2k5p s LEU 18 Cb -0.01 -3.11 0.11 0.00 0.03 0.00 0.00 46.19 43.21 2k5p s LEU 18 CO 0.80 0.13 1.09 0.20 0.23 0.00 0.00 176.35 178.81 2k5p s ASN 19 N -1.84 3.83 0.25 2.29 0.01 -1.26 -0.90 114.94 117.32 2k5p s ASN 19 Ca 0.35 1.53 -0.03 0.00 -0.71 0.00 0.00 52.86 54.00 2k5p s ASN 19 Cb -0.14 -2.22 0.43 0.00 0.41 0.00 0.00 41.25 39.73 2k5p s ASN 19 CO 0.19 -2.42 1.83 0.58 -1.51 0.00 0.00 177.10 175.77 2k5p h VAL 20 N -1.40 0.95 -0.70 1.60 2.07 -0.01 0.11 116.25 118.87 2k5p h VAL 20 Ca -0.48 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2k5p h VAL 20 Cb 1.27 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2k5p h VAL 20 CO 0.55 0.16 0.38 0.74 0.02 0.00 0.00 177.57 179.42 2k5p h THR 21 N 0.90 1.22 -0.30 2.57 2.02 -1.63 0.15 112.91 117.85 2k5p h THR 21 Ca 0.42 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2k5p h THR 21 Cb 0.35 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2k5p h THR 21 CO -0.23 0.24 -0.15 -0.33 0.37 0.00 0.00 175.52 175.42 2k5p h GLU 22 N 0.97 0.63 -0.66 6.66 5.08 -1.52 -1.64 114.58 124.10 2k5p h GLU 22 Ca 0.25 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2k5p h GLU 22 Cb 0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k5p h GLU 22 CO -0.04 0.86 0.30 1.25 -1.00 0.00 0.00 179.01 180.38 2k5p h LEU 23 N 0.38 0.86 -1.51 1.33 6.46 -0.73 -0.22 115.31 121.88 2k5p h LEU 23 Ca 0.07 -0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2k5p h LEU 23 Cb 0.67 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 2k5p h LEU 23 CO 0.04 0.75 0.39 0.25 -0.62 0.00 0.00 178.44 179.26 2k5p h LEU 24 N 0.94 0.53 -0.37 2.25 5.85 -0.41 -0.74 115.31 123.37 2k5p h LEU 24 Ca 0.23 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 2k5p h LEU 24 Cb 0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2k5p h LEU 24 CO -0.03 0.36 -0.80 -1.28 -0.34 0.00 0.00 178.44 176.35 2k5p h SER 25 N 0.61 0.34 0.13 1.25 0.87 -0.26 0.45 113.55 116.94 2k5p h SER 25 Ca 0.25 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2k5p h SER 25 Cb 0.21 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2k5p h SER 25 CO -0.07 1.00 -0.17 0.00 -0.53 0.00 0.00 176.83 177.06 2k5p h ALA 26 N 0.98 1.61 0.00 6.23 0.00 0.29 -2.19 119.26 126.18 2k5p h ALA 26 Ca -0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 2k5p h ALA 26 Cb 1.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2k5p h ALA 26 CO 0.13 0.29 -1.71 1.28 0.00 0.00 0.00 179.25 179.24 2k5p n LEU 27 N -4.29 0.85 -2.83 0.00 4.77 -0.50 -5.06 117.00 109.94 2k5p n LEU 27 Ca -0.02 0.40 -0.04 0.00 -0.03 0.00 0.00 56.01 56.33 2k5p n LEU 27 Cb 0.26 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2k5p n LEU 27 CO 0.37 0.38 -0.34 1.17 -1.33 0.00 0.00 177.39 177.64 2k5p n LYS 28 N -3.03 -2.88 -3.48 3.23 4.81 0.16 -5.04 118.16 111.94 2k5p n LYS 28 Ca -0.17 2.40 -0.24 0.00 -0.87 0.00 0.00 58.31 59.43 2k5p n LYS 28 Cb 1.04 -4.98 -0.01 0.00 0.02 0.00 0.00 35.03 31.10 2k5p n LYS 28 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k5p s VAL 29 N -1.85 5.13 0.05 3.15 1.01 -1.23 -5.01 120.40 121.65 2k5p s VAL 29 Ca 0.09 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2k5p s VAL 29 Cb -0.02 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2k5p s VAL 29 CO 0.72 -0.49 1.35 0.00 0.00 0.00 0.00 175.10 176.68 2k5p h ALA 30 N 0.93 -1.04 -2.99 5.51 0.00 -1.94 -3.41 119.26 116.31 2k5p h ALA 30 Ca -0.50 -0.13 -0.65 0.00 0.00 0.00 0.00 54.91 53.63 2k5p h ALA 30 Cb 1.22 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 2k5p h ALA 30 CO 0.62 -1.05 -0.53 -0.65 0.00 0.00 0.00 179.25 177.64 2k5p s GLN 31 N -4.80 3.52 -0.17 0.00 -0.21 -1.26 -5.03 119.66 111.72 2k5p s GLN 31 Ca -0.11 -0.24 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 2k5p s GLN 31 Cb 0.02 -3.13 -0.07 0.00 1.00 0.00 0.00 33.01 30.84 2k5p s GLN 31 CO 0.38 0.61 -0.28 0.00 -2.12 0.00 0.00 175.29 173.88 2k5p n ALA 32 N 2.49 1.44 0.18 6.09 0.00 -1.26 -4.35 120.51 125.10 2k5p n ALA 32 Ca -0.19 -0.75 0.05 0.00 0.00 0.00 0.00 53.44 52.56 2k5p n ALA 32 Cb 0.54 0.14 0.26 0.00 0.00 0.00 0.00 19.45 20.39 2k5p n ALA 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k5p n GLU 33 N -4.13 0.06 -0.10 0.00 0.00 -1.26 -1.34 120.64 113.87 2k5p n GLU 33 Ca -0.25 0.48 0.10 0.00 0.00 0.00 0.00 57.16 57.49 2k5p n GLU 33 Cb 0.59 -1.66 0.15 0.00 0.00 0.00 0.00 31.44 30.52 2k5p n GLU 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2k5p n TYR 34 N -1.77 0.26 -2.47 -1.84 4.01 -1.26 -4.91 117.16 109.17 2k5p n TYR 34 Ca 0.01 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 2k5p n TYR 34 Cb 0.07 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 2k5p n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2k5p s VAL 35 N -1.50 3.59 -0.30 -0.72 1.01 -0.45 -5.04 120.40 117.00 2k5p s VAL 35 Ca 0.30 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 2k5p s VAL 35 Cb 0.19 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.67 2k5p s VAL 35 CO 0.27 0.32 0.00 -0.89 0.00 0.00 0.00 175.10 174.79 2k5p s THR 36 N -0.76 2.83 0.15 3.92 2.01 -1.26 -4.86 115.64 117.67 2k5p s THR 36 Ca 0.47 -1.54 0.03 0.00 0.31 0.00 0.00 61.69 60.95 2k5p s THR 36 Cb -0.31 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 2k5p s THR 36 CO 0.39 -0.17 -0.04 0.68 -0.69 0.00 0.00 174.62 174.79 2k5p s VAL 37 N 1.20 0.83 0.19 3.82 -7.23 -1.26 -4.17 120.40 113.77 2k5p s VAL 37 Ca -0.04 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2k5p s VAL 37 Cb -0.20 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2k5p s VAL 37 CO -0.02 -0.64 0.13 -1.83 -0.31 0.00 0.00 175.10 172.42 2k5p s GLU 38 N -3.85 1.18 -0.07 4.82 -1.05 -1.13 -3.74 118.70 114.85 2k5p s GLU 38 Ca 0.19 -1.61 -0.03 0.00 -0.15 0.00 0.00 54.97 53.37 2k5p s GLU 38 Cb 0.05 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 2k5p s GLU 38 CO 0.01 -0.38 0.16 -0.48 0.95 0.00 0.00 175.26 175.52 2k5p s LEU 39 N -3.15 0.60 -2.10 1.83 2.34 -0.69 -0.31 118.68 117.21 2k5p s LEU 39 Ca 0.38 0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.90 2k5p s LEU 39 Cb 0.07 0.41 0.00 0.00 -0.56 0.00 0.00 46.19 46.11 2k5p s LEU 39 CO 0.11 -0.16 0.00 0.59 -1.06 0.00 0.00 176.35 175.83 2k5p n ASN 40 N 4.32 -5.47 -1.14 1.48 3.02 -1.26 -2.61 115.26 113.59 2k5p n ASN 40 Ca -0.24 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2k5p n ASN 40 Cb 0.52 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 2k5p n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5p n GLY 41 N -0.55 0.72 3.60 7.41 0.00 -1.26 -5.11 105.19 110.01 2k5p n GLY 41 Ca -0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2k5p n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5p s GLU 42 N -3.10 0.52 -0.09 1.61 -6.30 -1.07 -5.17 118.70 105.09 2k5p s GLU 42 Ca 0.00 1.03 -0.13 0.00 -2.50 0.00 0.00 54.97 53.37 2k5p s GLU 42 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 34.13 34.41 2k5p s GLU 42 CO 0.00 -0.13 0.31 0.54 0.02 0.00 0.00 175.26 176.00 2k5p s VAL 43 N 1.96 5.24 0.37 3.70 0.11 -1.26 -1.70 120.40 128.82 2k5p s VAL 43 Ca -0.08 0.60 0.08 0.00 -2.93 0.00 0.00 61.98 59.65 2k5p s VAL 43 Cb -0.06 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2k5p s VAL 43 CO -0.18 0.51 0.18 -0.76 -3.33 0.00 0.00 175.10 171.52 2k5p s LEU 44 N -0.44 3.24 0.44 2.54 2.01 -1.25 -5.05 118.68 120.17 2k5p s LEU 44 Ca 0.19 -0.84 -0.21 0.00 0.01 0.00 0.00 54.13 53.28 2k5p s LEU 44 Cb -0.14 -1.71 -0.10 0.00 0.01 0.00 0.00 46.19 44.25 2k5p s LEU 44 CO 0.08 -0.40 0.98 -0.70 1.01 0.00 0.00 176.35 177.33 2k5p s GLU 45 N -3.89 4.10 0.18 1.70 2.12 -1.26 -4.86 118.70 116.79 2k5p s GLU 45 Ca 0.40 1.23 -0.10 0.00 0.36 0.00 0.00 54.97 56.86 2k5p s GLU 45 Cb -0.01 -2.21 0.09 0.00 0.26 0.00 0.00 34.13 32.26 2k5p s GLU 45 CO 0.23 -0.15 1.70 0.00 -0.54 0.00 0.00 175.26 176.50 2k5p h ARG 46 N 1.90 1.01 0.00 4.30 -0.00 -1.91 -1.33 114.38 118.35 2k5p h ARG 46 Ca -0.49 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.98 58.68 2k5p h ARG 46 Cb 1.20 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.02 2k5p h ARG 46 CO 0.61 0.90 -0.35 0.93 0.00 0.00 0.00 179.97 182.05 2k5p h GLU 47 N 0.93 0.00 0.00 0.04 5.08 -1.94 -2.52 114.58 116.18 2k5p h GLU 47 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2k5p h GLU 47 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k5p h GLU 47 CO -0.00 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 2k5p h ALA 48 N 1.65 1.00 -0.06 3.43 0.00 -1.64 -2.66 119.26 120.98 2k5p h ALA 48 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k5p h ALA 48 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k5p h ALA 48 CO 0.05 0.00 -0.07 0.74 0.00 0.00 0.00 179.25 179.96 2k5p h PHE 49 N 0.00 0.08 -0.19 0.00 0.04 -0.97 0.16 116.94 116.06 2k5p h PHE 49 Ca 0.00 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2k5p h PHE 49 Cb 0.34 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2k5p h PHE 49 CO 0.00 0.16 -0.51 -0.44 -0.60 0.00 0.00 178.31 176.92 2k5p h ASP 50 N 0.08 0.58 0.77 2.17 5.19 -1.64 -1.43 116.42 122.14 2k5p h ASP 50 Ca 0.02 -0.29 -0.24 0.00 -0.62 0.00 0.00 57.03 55.89 2k5p h ASP 50 Cb 0.18 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 2k5p h ASP 50 CO 0.01 0.99 -1.32 0.00 -3.12 0.00 0.00 179.24 175.79 2k5p h ALA 51 N 1.03 0.56 -1.93 3.45 0.00 -1.49 -3.46 119.26 117.42 2k5p h ALA 51 Ca 0.02 -1.16 -0.58 0.00 0.00 0.00 0.00 54.91 53.19 2k5p h ALA 51 Cb 1.03 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 2k5p h ALA 51 CO 0.09 1.39 0.75 0.99 0.00 0.00 0.00 179.25 182.47 2k5p s THR 52 N -2.67 4.47 -0.05 0.00 2.01 0.50 -5.00 115.64 114.90 2k5p s THR 52 Ca -0.02 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.21 2k5p s THR 52 Cb 0.09 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 2k5p s THR 52 CO 0.82 -0.65 0.27 -0.89 -0.69 0.00 0.00 174.62 173.48 2k5p s THR 53 N 3.77 5.28 0.43 -0.82 2.01 -1.26 -0.90 115.64 124.15 2k5p s THR 53 Ca 0.42 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 2k5p s THR 53 Cb -0.11 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2k5p s THR 53 CO 0.21 0.57 0.69 -0.69 -0.69 0.00 0.00 174.62 174.71 2k5p s VAL 54 N -1.09 4.84 0.20 3.82 1.01 -0.08 -4.93 120.40 124.18 2k5p s VAL 54 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2k5p s VAL 54 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2k5p s VAL 54 CO 0.09 -0.68 0.17 -1.59 0.00 0.00 0.00 175.10 173.10 2k5p s LYS 55 N -4.58 1.24 -0.32 2.72 -2.85 -1.26 -4.39 119.74 110.29 2k5p s LYS 55 Ca 0.45 -1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 53.55 2k5p s LYS 55 Cb -0.10 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 2k5p s LYS 55 CO 0.41 -0.42 1.61 0.34 0.10 0.00 0.00 175.35 177.39 2k5p s ASP 56 N -3.14 6.19 0.00 0.03 2.15 -1.26 -2.83 116.67 117.80 2k5p s ASP 56 Ca 0.37 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.59 2k5p s ASP 56 Cb 0.06 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2k5p s ASP 56 CO 0.12 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.24 2k5p n GLY 57 N 5.08 1.01 3.65 2.66 0.00 0.53 -4.88 105.19 113.23 2k5p n GLY 57 Ca 0.20 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2k5p n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5p s ASP 58 N -2.11 3.62 0.00 1.61 -1.08 -1.13 -5.03 116.67 112.55 2k5p s ASP 58 Ca 0.00 -1.56 0.04 0.00 -0.52 0.00 0.00 52.55 50.51 2k5p s ASP 58 Cb 0.00 0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.66 2k5p s ASP 58 CO 0.00 -0.74 -0.11 0.00 0.52 0.00 0.00 175.17 174.84 2k5p s ALA 59 N -2.95 2.86 -0.51 3.66 0.00 -1.26 -1.82 121.76 121.74 2k5p s ALA 59 Ca 0.20 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.17 2k5p s ALA 59 Cb 0.05 -1.01 0.24 0.00 0.00 0.00 0.00 23.12 22.40 2k5p s ALA 59 CO 0.10 0.59 0.61 1.33 0.00 0.00 0.00 175.76 178.39 2k5p n VAL 60 N 1.67 0.70 -2.13 0.00 0.24 0.05 -4.56 118.33 114.29 2k5p n VAL 60 Ca -0.16 -4.54 -0.30 0.00 -2.04 0.00 0.00 64.34 57.30 2k5p n VAL 60 Cb 0.52 -2.01 -0.05 0.00 -1.47 0.00 0.00 33.84 30.83 2k5p n VAL 60 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k5p s GLU 61 N -1.68 2.70 -0.93 7.34 2.02 0.58 -4.45 118.70 124.28 2k5p s GLU 61 Ca 0.37 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 2k5p s GLU 61 Cb 0.14 -5.23 0.02 0.00 0.10 0.00 0.00 34.13 29.17 2k5p s GLU 61 CO -0.08 -3.59 1.54 -0.06 0.02 0.00 0.00 175.26 173.10 2k5p s PHE 62 N 9.87 2.30 -1.06 1.61 0.08 -1.26 -2.85 117.98 126.66 2k5p s PHE 62 Ca 0.66 -0.32 -0.21 0.00 0.12 0.00 0.00 56.93 57.18 2k5p s PHE 62 Cb -0.02 -4.52 0.08 0.00 -0.57 0.00 0.00 43.02 37.99 2k5p s PHE 62 CO 0.08 -1.95 1.43 -0.48 -0.10 0.00 0.00 175.22 174.21 2k5p s LEU 63 N 6.35 3.97 0.00 -0.37 2.34 -1.26 -4.47 118.68 125.23 2k5p s LEU 63 Ca 0.50 -1.84 0.00 0.00 0.06 0.00 0.00 54.13 52.85 2k5p s LEU 63 Cb -0.03 -2.53 0.00 0.00 -0.56 0.00 0.00 46.19 43.07 2k5p s LEU 63 CO -0.02 -1.31 0.00 -1.22 -1.06 0.00 0.00 176.35 172.73 2k5p n TYR 64 N 8.13 0.00 -1.72 3.48 4.01 -1.26 -4.87 117.16 124.93 2k5p n TYR 64 Ca 0.34 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.70 2k5p n TYR 64 Cb 0.49 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 2k5p n TYR 64 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2k5p n PHE 65 N -1.56 2.73 0.00 -0.72 3.01 -1.26 -4.32 117.46 115.34 2k5p n PHE 65 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 57.45 56.49 2k5p n PHE 65 Cb 0.00 -2.24 0.00 0.00 -0.01 0.00 0.00 39.48 37.23 2k5p n PHE 65 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2k5p n MET 66 N 7.50 2.26 0.00 -1.08 2.81 -1.26 -4.97 117.12 122.38 2k5p n MET 66 Ca 0.48 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 2k5p n MET 66 Cb 0.43 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 2k5p n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5p n GLY 67 N 3.09 1.02 5.73 3.03 0.00 -1.26 -4.52 105.19 112.27 2k5p n GLY 67 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k5p n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5p n GLY 68 N 0.00 1.79 2.19 -0.02 0.00 -1.26 -4.47 105.19 103.42 2k5p n GLY 68 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2k5p n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5p n GLY 69 N 0.00 3.59 3.79 -0.02 0.00 -1.26 -4.93 105.19 106.35 2k5p n GLY 69 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 2k5p n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5p s LYS 70 N -0.26 4.38 -0.29 1.61 1.02 -1.26 -4.98 119.74 119.96 2k5p s LYS 70 Ca 0.60 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.68 2k5p s LYS 70 Cb 0.33 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 2k5p s LYS 70 CO -0.09 0.08 1.67 -0.51 -0.92 0.00 0.00 175.35 175.57 2k5p s LEU 71 N -2.43 3.70 0.52 3.17 1.43 -1.26 -4.99 118.68 118.81 2k5p s LEU 71 Ca 0.55 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 2k5p s LEU 71 Cb -0.19 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2k5p s LEU 71 CO 0.24 -1.46 0.98 -0.70 0.23 0.00 0.00 176.35 175.64 2k5p s GLU 72 N 5.10 3.93 0.01 1.70 2.12 -1.26 -4.99 118.70 125.32 2k5p s GLU 72 Ca 0.74 0.94 -0.34 0.00 0.36 0.00 0.00 54.97 56.67 2k5p s GLU 72 Cb -0.23 -2.14 -0.13 0.00 0.26 0.00 0.00 34.13 31.90 2k5p s GLU 72 CO 0.32 -0.28 1.76 -2.39 -0.54 0.00 0.00 175.26 174.12 2k5p n HIS 73 N -1.63 2.31 -3.84 5.30 1.44 -1.26 -4.96 115.22 112.58 2k5p n HIS 73 Ca 0.06 0.10 -0.28 0.00 -2.01 0.00 0.00 57.72 55.59 2k5p n HIS 73 Cb 0.54 -2.62 -0.12 0.00 0.12 0.00 0.00 29.99 27.91 2k5p n HIS 73 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5p s HIS 74 N 2.80 3.25 0.16 -1.40 0.09 -1.26 -5.09 115.29 113.84 2k5p s HIS 74 Ca 0.87 -3.21 0.11 0.00 -0.00 0.00 0.00 55.06 52.84 2k5p s HIS 74 Cb -0.68 -2.50 -0.04 0.00 -0.00 0.00 0.00 32.58 29.36 2k5p s HIS 74 CO 0.46 -0.59 -0.25 -1.01 -0.00 0.00 0.00 174.74 173.35 2k5p s HIS 75 N -1.21 2.28 0.29 1.40 3.76 -1.26 -5.12 115.29 115.43 2k5p s HIS 75 Ca 0.25 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.50 2k5p s HIS 75 Cb -0.05 -1.18 -0.10 0.00 1.11 0.00 0.00 32.58 32.36 2k5p s HIS 75 CO -0.16 0.42 1.15 -1.01 -0.85 0.00 0.00 174.74 174.29 2k5p s HIS 76 N -1.38 3.45 0.09 1.40 3.76 -1.26 -4.99 115.29 116.36 2k5p s HIS 76 Ca 0.17 1.62 -0.30 0.00 -0.15 0.00 0.00 55.06 56.40 2k5p s HIS 76 Cb -0.09 -3.38 -0.06 0.00 1.11 0.00 0.00 32.58 30.16 2k5p s HIS 76 CO 0.08 -0.88 1.07 -1.58 -0.85 0.00 0.00 174.74 172.57 2k5p s HIS 77 N -1.09 3.62 -2.00 1.40 2.46 -1.26 -5.33 115.29 113.09 2k5p s HIS 77 Ca 0.46 1.59 0.32 0.00 0.47 0.00 0.00 55.06 57.90 2k5p s HIS 77 Cb -0.34 -3.23 1.91 0.00 -0.13 0.00 0.00 32.58 30.79 2k5p s HIS 77 CO 0.43 -0.46 2.23 0.72 -2.47 0.00 0.00 174.74 175.19