#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 6.40 -0.04 3.17 -0.87 -1.26 0.11 114.94 122.45 2k5p s ASN 2 Ca 0.00 0.47 0.04 0.00 -1.57 0.00 0.00 52.86 51.80 2k5p s ASN 2 Cb 0.00 -2.13 -0.00 0.00 -0.02 0.00 0.00 41.25 39.10 2k5p s ASN 2 CO 0.00 0.25 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.86 2k5p s LEU 3 N -0.22 1.89 -1.29 0.60 2.01 0.01 0.45 118.68 122.13 2k5p s LEU 3 Ca 0.14 -0.34 -0.15 0.00 0.01 0.00 0.00 54.13 53.79 2k5p s LEU 3 Cb -0.13 -0.94 0.11 0.00 0.01 0.00 0.00 46.19 45.24 2k5p s LEU 3 CO 0.03 0.14 1.71 0.41 1.01 0.00 0.00 176.35 179.65 2k5p n THR 4 N 3.20 4.03 -2.71 5.49 -1.04 0.62 0.12 114.28 124.00 2k5p n THR 4 Ca -0.18 -4.22 -0.43 0.00 -2.04 0.00 0.00 64.05 57.18 2k5p n THR 4 Cb 0.53 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 2k5p n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k5p s VAL 5 N 2.83 4.74 -1.81 12.58 0.11 0.16 -3.34 120.40 135.68 2k5p s VAL 5 Ca 0.48 1.96 0.00 0.00 -2.93 0.00 0.00 61.98 61.49 2k5p s VAL 5 Cb 0.03 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 2k5p s VAL 5 CO 0.03 -0.10 0.00 0.59 -3.33 0.00 0.00 175.10 172.29 2k5p n ASN 6 N 5.82 -5.46 0.00 3.54 5.03 -1.22 -0.32 115.26 122.64 2k5p n ASN 6 Ca 0.10 0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.97 2k5p n ASN 6 Cb 0.47 -4.46 0.00 0.00 -1.02 0.00 0.00 39.78 34.77 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 -0.33 0.60 3.55 7.41 0.00 -1.23 -5.07 105.19 110.12 2k5p n GLY 7 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.80 3.48 -0.79 1.61 3.01 0.56 -5.04 119.74 121.77 2k5p s LYS 8 Ca 0.00 -0.48 -0.26 0.00 -1.01 0.00 0.00 55.97 54.21 2k5p s LYS 8 Cb 0.00 -2.89 0.03 0.00 -1.01 0.00 0.00 37.83 33.96 2k5p s LYS 8 CO 0.00 0.38 1.39 -1.25 0.51 0.00 0.00 175.35 176.38 2k5p s PRO 9 N 0.01 3.19 0.62 -1.68 0.04 -1.26 0.37 135.00 136.29 2k5p s PRO 9 Ca 0.01 -0.33 0.08 0.00 0.04 0.00 0.00 61.00 60.80 2k5p s PRO 9 Cb -0.13 -4.46 0.10 0.00 0.04 0.00 0.00 34.50 30.06 2k5p s PRO 9 CO 0.02 -2.26 0.86 0.45 0.04 0.00 0.00 177.00 176.11 2k5p s SER 10 N 4.54 4.88 -0.16 6.66 0.15 0.12 -4.93 113.70 124.96 2k5p s SER 10 Ca 0.41 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 2k5p s SER 10 Cb -0.07 0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 2k5p s SER 10 CO 0.10 -1.51 0.35 -0.89 1.20 0.00 0.00 173.24 172.49 2k5p s THR 11 N -2.79 -0.47 -0.42 6.45 2.01 -1.26 -0.81 115.64 118.34 2k5p s THR 11 Ca 0.64 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 2k5p s THR 11 Cb -0.05 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.93 2k5p s THR 11 CO 0.41 0.09 0.31 0.68 -0.69 0.00 0.00 174.62 175.42 2k5p s VAL 12 N 2.36 5.21 0.49 3.82 -7.23 0.12 -4.97 120.40 120.19 2k5p s VAL 12 Ca -0.02 -0.75 -0.19 0.00 -1.81 0.00 0.00 61.98 59.21 2k5p s VAL 12 Cb -0.12 -3.95 -0.09 0.00 0.56 0.00 0.00 36.38 32.79 2k5p s VAL 12 CO -0.11 -0.36 1.00 -0.62 -0.31 0.00 0.00 175.10 174.70 2k5p s ASP 13 N 1.86 6.51 0.00 4.85 2.15 -1.26 0.61 116.67 131.39 2k5p s ASP 13 Ca 0.05 1.77 0.00 0.00 0.43 0.00 0.00 52.55 54.80 2k5p s ASP 13 Cb -0.20 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2k5p s ASP 13 CO 0.09 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 2k5p n GLY 14 N -0.72 1.88 3.87 2.66 0.00 -1.26 -4.85 105.19 106.78 2k5p n GLY 14 Ca 0.08 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.27 3.38 0.00 4.61 0.00 -1.25 -4.93 121.76 123.30 2k5p s ALA 15 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2k5p s ALA 15 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2k5p s ALA 15 CO 0.00 0.08 0.00 -1.91 0.00 0.00 0.00 175.76 173.93 2k5p n GLU 16 N -1.09 0.00 -3.66 0.00 2.13 -1.26 0.64 120.64 117.40 2k5p n GLU 16 Ca 0.02 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.46 2k5p n GLU 16 Cb 0.54 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.15 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k5p s SER 17 N -3.03 5.48 0.11 4.31 0.01 -1.26 -4.57 113.70 114.76 2k5p s SER 17 Ca 0.00 -2.33 0.07 0.00 1.31 0.00 0.00 55.95 55.00 2k5p s SER 17 Cb 0.00 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2k5p s SER 17 CO 0.00 -0.53 -0.17 -0.76 0.41 0.00 0.00 173.24 172.19 2k5p s LEU 18 N 0.71 2.34 0.81 2.44 1.43 -1.23 -4.97 118.68 120.23 2k5p s LEU 18 Ca 0.11 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2k5p s LEU 18 Cb -0.22 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 45.37 2k5p s LEU 18 CO -0.03 -0.04 1.12 0.20 0.23 0.00 0.00 176.35 177.83 2k5p s ASN 19 N -2.13 4.41 0.30 2.29 0.01 -1.26 0.14 114.94 118.69 2k5p s ASN 19 Ca 0.07 1.12 -0.02 0.00 -0.71 0.00 0.00 52.86 53.33 2k5p s ASN 19 Cb -0.08 -1.80 0.46 0.00 0.41 0.00 0.00 41.25 40.24 2k5p s ASN 19 CO 0.04 -2.00 1.96 0.58 -1.51 0.00 0.00 177.10 176.16 2k5p h VAL 20 N -1.11 1.18 -0.94 1.60 2.07 0.04 0.16 116.25 119.26 2k5p h VAL 20 Ca -0.47 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2k5p h VAL 20 Cb 1.29 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2k5p h VAL 20 CO 0.62 0.20 0.62 0.74 0.02 0.00 0.00 177.57 179.77 2k5p h THR 21 N 1.11 1.22 0.00 2.57 2.02 -1.75 -1.89 112.91 116.19 2k5p h THR 21 Ca 0.32 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 2k5p h THR 21 Cb -0.06 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.21 2k5p h THR 21 CO -0.08 0.23 -0.29 -0.33 0.37 0.00 0.00 175.52 175.42 2k5p h GLU 22 N 1.25 0.00 -0.66 6.66 4.39 -1.40 -1.68 114.58 123.14 2k5p h GLU 22 Ca 0.35 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 2k5p h GLU 22 Cb -0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2k5p h GLU 22 CO -0.09 0.29 0.23 -0.07 -1.16 0.00 0.00 179.01 178.21 2k5p h LEU 23 N 0.00 0.94 -0.90 1.33 3.38 0.01 -0.03 115.31 120.04 2k5p h LEU 23 Ca -0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2k5p h LEU 23 Cb 0.70 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2k5p h LEU 23 CO 0.04 0.88 0.60 -0.07 0.09 0.00 0.00 178.44 179.98 2k5p h LEU 24 N 0.95 1.03 0.38 1.67 3.38 -0.77 0.14 115.31 122.09 2k5p h LEU 24 Ca 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2k5p h LEU 24 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k5p h LEU 24 CO -0.01 0.74 -0.21 0.28 0.09 0.00 0.00 178.44 179.33 2k5p h SER 25 N 1.21 -0.51 0.00 -0.43 0.02 -0.94 0.22 113.55 113.13 2k5p h SER 25 Ca 0.33 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2k5p h SER 25 Cb -0.13 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2k5p h SER 25 CO -0.08 -0.34 -0.00 0.00 -1.14 0.00 0.00 176.83 175.27 2k5p h ALA 26 N 0.06 -0.00 0.00 3.77 0.00 -0.82 -2.73 119.26 119.53 2k5p h ALA 26 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k5p h ALA 26 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k5p h ALA 26 CO 0.06 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.21 2k5p n LEU 27 N -4.98 0.00 -3.63 0.00 4.77 0.47 -4.92 117.00 108.72 2k5p n LEU 27 Ca -0.08 0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 2k5p n LEU 27 Cb 0.14 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2k5p n LEU 27 CO 0.33 -0.07 -0.04 1.17 -1.33 0.00 0.00 177.39 177.45 2k5p n LYS 28 N -1.31 -4.47 -2.99 3.23 4.81 0.63 -4.94 118.16 113.12 2k5p n LYS 28 Ca 0.10 0.65 -0.41 0.00 -0.87 0.00 0.00 58.31 57.78 2k5p n LYS 28 Cb 0.20 -5.20 -0.05 0.00 0.02 0.00 0.00 35.03 29.99 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 -3.59 4.89 0.28 3.15 1.01 -0.31 -4.94 120.40 120.89 2k5p s VAL 29 Ca 0.09 1.33 0.14 0.00 0.00 0.00 0.00 61.98 63.53 2k5p s VAL 29 Cb -0.02 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2k5p s VAL 29 CO 0.80 -0.06 1.72 0.00 0.00 0.00 0.00 175.10 177.56 2k5p h ALA 30 N 7.84 1.11 -1.27 5.51 0.00 -1.92 -3.39 119.26 127.14 2k5p h ALA 30 Ca -0.25 -0.43 -0.64 0.00 0.00 0.00 0.00 54.91 53.60 2k5p h ALA 30 Cb 1.11 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 2k5p h ALA 30 CO 0.83 0.59 1.47 -0.65 0.00 0.00 0.00 179.25 181.49 2k5p s GLN 31 N -3.80 3.68 0.01 0.00 1.11 -1.26 -4.67 119.66 114.72 2k5p s GLN 31 Ca -0.01 -1.46 0.22 0.00 0.01 0.00 0.00 55.36 54.11 2k5p s GLN 31 Cb 0.13 -5.28 -0.14 0.00 -1.01 0.00 0.00 33.01 26.70 2k5p s GLN 31 CO 0.73 -2.10 0.86 0.00 0.01 0.00 0.00 175.29 174.78 2k5p n ALA 32 N 8.16 3.81 -0.10 6.09 0.00 -1.26 -4.28 120.51 132.93 2k5p n ALA 32 Ca 0.34 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 2k5p n ALA 32 Cb 0.49 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 2k5p n ALA 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k5p n GLU 33 N -1.84 0.41 -1.03 0.00 4.07 -1.26 -4.69 120.64 116.31 2k5p n GLU 33 Ca 0.01 0.17 -0.16 0.00 -0.06 0.00 0.00 57.16 57.12 2k5p n GLU 33 Cb 0.42 -1.20 -0.03 0.00 -0.06 0.00 0.00 31.44 30.57 2k5p n GLU 33 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2k5p n TYR 34 N -3.76 1.03 -4.37 4.31 4.01 -1.26 -4.92 117.16 112.20 2k5p n TYR 34 Ca -0.37 -1.72 -0.30 0.00 -0.16 0.00 0.00 57.90 55.35 2k5p n TYR 34 Cb 0.78 -1.13 -0.12 0.00 -0.31 0.00 0.00 39.34 38.56 2k5p n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k5p s VAL 35 N -1.32 2.85 -0.18 -0.72 0.11 -1.26 -4.93 120.40 114.95 2k5p s VAL 35 Ca 0.41 -1.43 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 2k5p s VAL 35 Cb 0.26 -2.29 0.09 0.00 -1.53 0.00 0.00 36.38 32.91 2k5p s VAL 35 CO -0.07 0.15 0.23 -0.89 -3.33 0.00 0.00 175.10 171.18 2k5p s THR 36 N -1.10 -0.34 0.08 5.04 2.01 -1.26 -4.99 115.64 115.08 2k5p s THR 36 Ca 0.17 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2k5p s THR 36 Cb -0.11 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 2k5p s THR 36 CO 0.09 -0.12 0.12 0.68 -0.69 0.00 0.00 174.62 174.70 2k5p s VAL 37 N 2.34 0.16 0.04 3.82 -7.23 -1.26 -3.01 120.40 115.26 2k5p s VAL 37 Ca 0.06 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2k5p s VAL 37 Cb -0.15 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 2k5p s VAL 37 CO -0.11 -0.74 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.01 2k5p s GLU 38 N -3.89 0.66 -0.40 4.82 1.03 -0.75 -2.61 118.70 117.57 2k5p s GLU 38 Ca 0.07 -0.73 -0.07 0.00 0.03 0.00 0.00 54.97 54.27 2k5p s GLU 38 Cb 0.06 -0.56 0.08 0.00 -0.80 0.00 0.00 34.13 32.91 2k5p s GLU 38 CO -0.10 0.12 0.21 -1.17 -1.33 0.00 0.00 175.26 173.00 2k5p s LEU 39 N -1.34 4.98 -1.46 1.83 1.98 0.65 -0.34 118.68 124.98 2k5p s LEU 39 Ca -0.04 -1.52 -0.07 0.00 -2.89 0.00 0.00 54.13 49.61 2k5p s LEU 39 Cb -0.09 -1.93 0.03 0.00 0.66 0.00 0.00 46.19 44.86 2k5p s LEU 39 CO 0.01 -0.49 0.60 0.59 -1.89 0.00 0.00 176.35 175.17 2k5p n ASN 40 N 4.84 -5.31 0.00 3.68 3.02 -0.05 -0.77 115.26 120.67 2k5p n ASN 40 Ca -0.09 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2k5p n ASN 40 Cb 0.43 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -1.43 2.78 3.50 7.41 0.00 -1.26 -5.02 105.19 111.17 2k5p n GLY 41 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.62 3.16 0.37 1.61 2.56 0.05 -4.99 118.70 120.83 2k5p s GLU 42 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 54.97 54.14 2k5p s GLU 42 Cb 0.00 -4.20 -0.10 0.00 2.00 0.00 0.00 34.13 31.83 2k5p s GLU 42 CO 0.00 -1.94 1.42 0.54 -0.56 0.00 0.00 175.26 174.73 2k5p s VAL 43 N 4.76 2.26 -0.14 3.70 0.11 -1.26 -0.26 120.40 129.56 2k5p s VAL 43 Ca 0.28 0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 2k5p s VAL 43 Cb -0.13 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2k5p s VAL 43 CO 0.13 0.06 0.15 -0.76 -3.33 0.00 0.00 175.10 171.34 2k5p s LEU 44 N -2.10 4.33 0.39 2.54 2.01 -1.07 -4.88 118.68 119.91 2k5p s LEU 44 Ca 0.53 0.41 -0.24 0.00 0.01 0.00 0.00 54.13 54.84 2k5p s LEU 44 Cb -0.44 -2.10 -0.09 0.00 0.01 0.00 0.00 46.19 43.57 2k5p s LEU 44 CO 0.59 0.33 1.02 -1.61 1.01 0.00 0.00 176.35 177.68 2k5p s GLU 45 N -0.55 4.23 0.64 1.70 8.01 -1.26 -4.79 118.70 126.68 2k5p s GLU 45 Ca 0.13 1.41 0.29 0.00 0.01 0.00 0.00 54.97 56.82 2k5p s GLU 45 Cb -0.12 -2.51 1.57 0.00 -4.31 0.00 0.00 34.13 28.76 2k5p s GLU 45 CO 0.02 -0.07 1.91 0.07 0.01 0.00 0.00 175.26 177.20 2k5p h ARG 46 N 2.48 0.00 0.00 1.61 0.11 -1.95 -0.37 114.38 116.27 2k5p h ARG 46 Ca -0.48 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.40 2k5p h ARG 46 Cb 1.21 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 2k5p h ARG 46 CO 0.62 0.00 -1.21 0.93 0.10 0.00 0.00 179.97 180.41 2k5p h GLU 47 N 0.00 0.00 -0.64 0.08 5.08 -1.97 -3.38 114.58 113.75 2k5p h GLU 47 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k5p h GLU 47 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k5p h GLU 47 CO -0.00 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 2k5p n ALA 48 N -2.39 2.55 -0.00 3.43 0.00 -0.15 -4.48 120.51 119.47 2k5p n ALA 48 Ca -0.07 -1.19 -0.11 0.00 0.00 0.00 0.00 53.44 52.07 2k5p n ALA 48 Cb 0.90 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 2k5p n ALA 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2k5p h PHE 49 N 3.72 0.10 0.00 0.00 0.04 -1.74 -0.52 116.94 118.54 2k5p h PHE 49 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 2k5p h PHE 49 Cb 0.97 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2k5p h PHE 49 CO 0.49 0.06 -0.31 0.22 -0.60 0.00 0.00 178.31 178.17 2k5p h ASP 50 N 0.11 0.00 1.54 2.17 3.58 -1.92 -1.15 116.42 120.75 2k5p h ASP 50 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k5p h ASP 50 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k5p h ASP 50 CO -0.02 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 2k5p h ALA 51 N 1.69 1.00 -2.96 -0.78 0.00 -1.70 -3.44 119.26 113.07 2k5p h ALA 51 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 2k5p h ALA 51 Cb 1.05 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 2k5p h ALA 51 CO 0.04 0.00 -0.58 0.99 0.00 0.00 0.00 179.25 179.70 2k5p s THR 52 N -3.22 4.73 0.25 0.00 2.01 -0.25 -5.06 115.64 114.10 2k5p s THR 52 Ca 0.08 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 2k5p s THR 52 Cb 0.09 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 2k5p s THR 52 CO 0.60 0.32 0.59 0.42 -0.69 0.00 0.00 174.62 175.85 2k5p s THR 53 N 1.56 4.89 0.00 -0.82 -4.23 -1.26 -1.36 115.64 114.41 2k5p s THR 53 Ca 0.06 0.55 0.06 0.00 -1.18 0.00 0.00 61.69 61.18 2k5p s THR 53 Cb -0.15 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 2k5p s THR 53 CO 0.06 -0.10 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.17 2k5p s VAL 54 N -1.86 2.81 0.31 2.29 1.01 0.12 -4.87 120.40 120.21 2k5p s VAL 54 Ca 0.49 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2k5p s VAL 54 Cb -0.11 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2k5p s VAL 54 CO 0.21 0.46 0.20 -1.59 0.00 0.00 0.00 175.10 174.38 2k5p s LYS 55 N -1.09 1.65 0.44 2.72 -2.85 -1.26 -3.48 119.74 115.87 2k5p s LYS 55 Ca 0.13 -1.95 -0.24 0.00 -1.00 0.00 0.00 55.97 52.91 2k5p s LYS 55 Cb -0.10 0.07 -0.08 0.00 -2.06 0.00 0.00 37.83 35.66 2k5p s LYS 55 CO 0.03 -0.53 1.15 0.34 0.10 0.00 0.00 175.35 176.44 2k5p s ASP 56 N -3.37 6.31 -1.28 0.03 2.15 -1.26 -3.41 116.67 115.84 2k5p s ASP 56 Ca 0.37 2.29 -0.00 0.00 0.43 0.00 0.00 52.55 55.63 2k5p s ASP 56 Cb 0.04 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k5p s ASP 56 CO 0.21 -0.82 0.06 0.61 -0.17 0.00 0.00 175.17 175.06 2k5p n GLY 57 N 0.47 -0.25 3.62 2.66 0.00 0.17 -4.93 105.19 106.93 2k5p n GLY 57 Ca 0.06 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.38 4.82 -1.03 1.61 2.15 -1.21 -4.81 116.67 115.82 2k5p s ASP 58 Ca 0.03 -0.04 -0.15 0.00 0.43 0.00 0.00 52.55 52.82 2k5p s ASP 58 Cb -0.01 -1.21 0.17 0.00 -0.30 0.00 0.00 42.92 41.56 2k5p s ASP 58 CO 0.04 0.32 1.19 0.00 -0.17 0.00 0.00 175.17 176.54 2k5p s ALA 59 N -0.95 3.82 -0.50 3.66 0.00 -1.26 -0.28 121.76 126.26 2k5p s ALA 59 Ca 0.16 -3.16 -0.24 0.00 0.00 0.00 0.00 51.96 48.72 2k5p s ALA 59 Cb -0.11 -3.96 0.03 0.00 0.00 0.00 0.00 23.12 19.08 2k5p s ALA 59 CO 0.06 -2.74 0.88 0.54 0.00 0.00 0.00 175.76 174.50 2k5p s VAL 60 N 1.56 4.50 -0.67 0.00 0.11 -1.21 -0.87 120.40 123.83 2k5p s VAL 60 Ca 0.34 0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 59.60 2k5p s VAL 60 Cb -0.05 -4.44 0.12 0.00 -1.53 0.00 0.00 36.38 30.47 2k5p s VAL 60 CO -0.06 -0.93 0.78 -1.61 -3.33 0.00 0.00 175.10 169.96 2k5p s GLU 61 N 3.67 3.18 -0.33 1.54 2.02 0.54 -3.45 118.70 125.87 2k5p s GLU 61 Ca 0.31 -1.47 -0.21 0.00 0.02 0.00 0.00 54.97 53.62 2k5p s GLU 61 Cb -0.12 -4.37 -0.00 0.00 0.10 0.00 0.00 34.13 29.74 2k5p s GLU 61 CO 0.22 -1.56 0.68 0.12 0.02 0.00 0.00 175.26 174.73 2k5p s PHE 62 N 2.50 3.17 -0.19 1.61 2.19 -1.26 -1.80 117.98 124.20 2k5p s PHE 62 Ca 0.16 0.52 -0.18 0.00 0.33 0.00 0.00 56.93 57.76 2k5p s PHE 62 Cb -0.20 -3.14 -0.03 0.00 -1.31 0.00 0.00 43.02 38.34 2k5p s PHE 62 CO 0.03 -0.58 0.51 -0.51 1.83 0.00 0.00 175.22 176.49 2k5p s LEU 63 N 2.77 4.17 -0.02 6.12 1.43 -1.17 -4.84 118.68 127.15 2k5p s LEU 63 Ca 0.27 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 2k5p s LEU 63 Cb -0.14 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.43 2k5p s LEU 63 CO 0.14 -0.15 0.71 -1.22 0.23 0.00 0.00 176.35 176.06 2k5p n TYR 64 N 4.60 0.15 -2.37 0.29 4.02 -1.26 -4.69 117.16 117.90 2k5p n TYR 64 Ca -0.05 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.45 2k5p n TYR 64 Cb 0.51 -0.17 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 2k5p n TYR 64 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2k5p n PHE 65 N 0.13 -0.93 -2.86 -0.72 3.72 -1.26 -3.70 117.46 111.84 2k5p n PHE 65 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 2k5p n PHE 65 Cb 0.38 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 35.12 2k5p n PHE 65 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 2k5p n MET 66 N -2.89 -2.66 -0.26 -1.08 0.00 -1.26 -5.00 117.12 103.97 2k5p n MET 66 Ca -0.23 2.26 0.00 0.00 -0.00 0.00 0.00 57.70 59.72 2k5p n MET 66 Cb 0.68 -4.36 0.00 0.00 0.00 0.00 0.00 33.22 29.54 2k5p n MET 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5p n GLY 67 N 0.72 0.64 0.05 -5.12 0.00 -1.24 -4.97 105.19 95.26 2k5p n GLY 67 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.09 5.07 -0.02 0.00 -1.26 -5.00 105.19 102.89 2k5p n GLY 68 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.34 0.40 1.25 -0.02 0.00 -1.26 -1.02 105.19 105.89 2k5p n GLY 69 Ca -0.09 0.71 0.04 0.00 0.00 0.00 0.00 46.02 46.69 2k5p n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5p n LYS 70 N 0.00 0.48 -0.25 1.61 5.02 -1.26 -5.14 118.16 118.62 2k5p n LYS 70 Ca 0.00 -2.39 0.03 0.00 -2.02 0.00 0.00 58.31 53.93 2k5p n LYS 70 Cb 0.00 -0.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.52 2k5p n LYS 70 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k5p n LEU 71 N 0.02 0.00 -3.60 -0.35 4.77 -0.19 -4.89 117.00 112.77 2k5p n LEU 71 Ca 0.10 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2k5p n LEU 71 Cb 1.02 -0.75 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 2k5p n LEU 71 CO -0.04 -1.23 -0.24 -0.70 -1.33 0.00 0.00 177.39 173.86 2k5p s GLU 72 N -0.46 0.09 -0.57 3.23 2.12 -1.26 -5.07 118.70 116.78 2k5p s GLU 72 Ca 0.00 0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.74 2k5p s GLU 72 Cb 0.00 -0.78 0.18 0.00 0.26 0.00 0.00 34.13 33.79 2k5p s GLU 72 CO 0.00 -0.47 0.47 0.72 -0.54 0.00 0.00 175.26 175.43 2k5p n HIS 73 N 5.32 1.46 -0.07 5.30 8.25 -1.26 -4.90 115.22 129.32 2k5p n HIS 73 Ca -0.05 -3.87 -0.21 0.00 -0.26 0.00 0.00 57.72 53.34 2k5p n HIS 73 Cb 0.50 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 31.22 2k5p n HIS 73 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k5p h HIS 74 N 5.25 0.13 -2.80 4.41 3.86 -2.04 -3.51 115.15 120.45 2k5p h HIS 74 Ca 0.19 -0.09 0.10 0.00 -1.16 0.00 0.00 60.37 59.41 2k5p h HIS 74 Cb 0.81 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 2k5p h HIS 74 CO 0.51 1.45 -0.83 1.58 0.86 0.00 0.00 177.93 181.49 2k5p n HIS 75 N -4.29 -3.17 -1.54 2.45 -0.00 -1.26 -4.57 115.22 102.84 2k5p n HIS 75 Ca -0.27 1.73 -0.37 0.00 0.46 0.00 0.00 57.72 59.27 2k5p n HIS 75 Cb 0.72 -2.82 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 2k5p n HIS 75 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5p n HIS 76 N -2.89 1.23 -4.35 1.57 8.25 -1.26 -4.92 115.22 112.85 2k5p n HIS 76 Ca -0.03 0.18 -0.18 0.00 -0.26 0.00 0.00 57.72 57.43 2k5p n HIS 76 Cb 0.43 -2.58 -0.15 0.00 1.12 0.00 0.00 29.99 28.82 2k5p n HIS 76 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5p s HIS 77 N 11.55 0.78 0.00 4.41 3.76 -1.26 -5.33 115.29 129.20 2k5p s HIS 77 Ca 1.07 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2k5p s HIS 77 Cb -0.41 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 32.78 2k5p s HIS 77 CO 0.31 -0.01 0.00 -2.39 -0.85 0.00 0.00 174.74 171.80