#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk4 s TYR 2 N -4.08 1.94 0.04 0.00 1.13 -0.45 -4.75 117.35 111.17 1pk4 s TYR 2 Ca 0.32 -0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 55.54 1pk4 s TYR 2 Cb 0.04 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.84 1pk4 s TYR 2 CO 0.11 0.31 0.21 -1.01 -2.51 0.00 0.00 175.55 172.66 1pk4 s HIS 3 N -1.53 3.53 0.00 -3.49 3.76 -1.26 -0.06 115.29 116.24 1pk4 s HIS 3 Ca 0.13 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1pk4 s HIS 3 Cb -0.08 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1pk4 s HIS 3 CO 0.06 0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 1pk4 n GLY 4 N 0.52 2.60 1.07 -2.22 0.00 -1.26 -0.70 105.19 105.20 1pk4 n GLY 4 Ca -0.07 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1pk4 n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pk4 n ASP 5 N 7.60 3.22 -1.04 1.61 5.68 -1.26 -4.94 116.55 127.42 1pk4 n ASP 5 Ca 0.00 -1.96 -0.13 0.00 -0.50 0.00 0.00 54.79 52.20 1pk4 n ASP 5 Cb 0.00 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.71 1pk4 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pk4 n GLY 6 N 1.46 1.27 0.23 6.12 0.00 0.12 -3.48 105.19 110.90 1pk4 n GLY 6 Ca 0.19 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.95 1pk4 n GLY 6 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pk4 h GLN 7 N 0.00 0.00 -0.02 1.61 4.20 -1.84 -1.99 115.11 117.08 1pk4 h GLN 7 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1pk4 h GLN 7 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1pk4 h GLN 7 CO 0.39 0.00 -0.26 -1.13 -0.67 0.00 0.00 178.83 177.16 1pk4 n SER 8 N -2.77 1.83 -4.67 1.46 3.41 -1.26 -4.83 113.62 106.79 1pk4 n SER 8 Ca 0.01 -1.42 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 1pk4 n SER 8 Cb 0.26 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1pk4 n SER 8 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pk4 s TYR 9 N -2.33 1.92 -0.14 7.33 5.04 -0.75 -4.90 117.35 123.53 1pk4 s TYR 9 Ca 0.25 -0.02 0.15 0.00 -2.44 0.00 0.00 57.07 55.01 1pk4 s TYR 9 Cb 0.19 -4.09 0.32 0.00 0.35 0.00 0.00 41.96 38.74 1pk4 s TYR 9 CO 0.47 -4.61 1.17 0.54 -1.34 0.00 0.00 175.55 171.78 1pk4 n ARG 10 N 6.51 1.21 -0.71 4.97 5.12 -1.26 -4.90 116.66 127.60 1pk4 n ARG 10 Ca 0.18 -2.69 -0.25 0.00 -1.93 0.00 0.00 57.85 53.16 1pk4 n ARG 10 Cb 0.41 -1.37 0.22 0.00 -1.16 0.00 0.00 32.46 30.55 1pk4 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pk4 n GLY 11 N -1.09 -3.00 0.84 -0.13 0.00 -1.26 -5.01 105.19 95.55 1pk4 n GLY 11 Ca 0.15 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.84 1pk4 n GLY 11 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pk4 n THR 12 N -4.66 0.00 -1.74 2.61 5.66 -1.26 -4.77 114.28 110.12 1pk4 n THR 12 Ca 0.12 -0.46 -0.41 0.00 -3.05 0.00 0.00 64.05 60.25 1pk4 n THR 12 Cb 0.49 1.44 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 1pk4 n THR 12 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1pk4 n SER 13 N 1.06 3.28 -1.74 1.09 7.64 -1.26 -4.85 113.62 118.85 1pk4 n SER 13 Ca 0.12 1.19 -0.02 0.00 1.01 0.00 0.00 58.87 61.17 1pk4 n SER 13 Cb 0.55 -1.57 0.01 0.00 -1.01 0.00 0.00 64.21 62.19 1pk4 n SER 13 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pk4 n SER 14 N 0.39 -0.24 -4.11 6.43 3.41 -1.26 -0.82 113.62 117.43 1pk4 n SER 14 Ca 0.03 -2.05 -0.23 0.00 -0.26 0.00 0.00 58.87 56.37 1pk4 n SER 14 Cb 0.39 0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.31 1pk4 n SER 14 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1pk4 s THR 15 N -0.50 1.15 0.89 6.66 -1.32 -1.26 -1.39 115.64 119.86 1pk4 s THR 15 Ca 0.14 -0.61 -0.13 0.00 -1.21 0.00 0.00 61.69 59.88 1pk4 s THR 15 Cb 0.24 -0.97 0.13 0.00 -1.51 0.00 0.00 72.50 70.39 1pk4 s THR 15 CO -0.08 0.33 1.18 0.42 -2.21 0.00 0.00 174.62 174.26 1pk4 s THR 16 N -0.24 1.98 0.59 5.08 -4.23 -0.29 -0.77 115.64 117.76 1pk4 s THR 16 Ca 0.03 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.83 1pk4 s THR 16 Cb -0.07 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.26 1pk4 s THR 16 CO -0.00 0.00 2.00 0.74 -0.54 0.00 0.00 174.62 176.82 1pk4 h THR 17 N -1.37 0.43 -0.60 3.99 2.02 -1.48 -1.73 112.91 114.16 1pk4 h THR 17 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1pk4 h THR 17 Cb 1.32 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1pk4 h THR 17 CO 0.59 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.83 1pk4 n THR 18 N -3.77 1.03 -0.88 3.16 -2.24 -1.26 -4.93 114.28 105.39 1pk4 n THR 18 Ca 0.05 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1pk4 n THR 18 Cb 0.49 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1pk4 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk4 n GLY 19 N 1.24 0.68 3.77 3.38 0.00 -0.65 -5.06 105.19 108.56 1pk4 n GLY 19 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1pk4 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk4 s LYS 20 N -0.12 2.93 0.03 1.61 1.02 -1.26 -4.74 119.74 119.21 1pk4 s LYS 20 Ca 0.00 1.39 -0.17 0.00 0.02 0.00 0.00 55.97 57.21 1pk4 s LYS 20 Cb 0.00 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1pk4 s LYS 20 CO 0.00 -1.15 0.49 0.21 -0.92 0.00 0.00 175.35 173.98 1pk4 s LYS 21 N -4.00 4.07 0.35 1.68 2.20 -1.26 -1.14 119.74 121.64 1pk4 s LYS 21 Ca 0.67 0.58 -0.26 0.00 -0.36 0.00 0.00 55.97 56.60 1pk4 s LYS 21 Cb -0.20 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.79 1pk4 s LYS 21 CO 0.39 0.66 1.08 0.00 -0.36 0.00 0.00 175.35 177.12 1pk4 s GLN 23 N -2.05 4.07 0.25 0.00 0.74 0.81 -4.69 119.66 118.80 1pk4 s GLN 23 Ca 0.52 1.37 -0.30 0.00 0.05 0.00 0.00 55.36 57.01 1pk4 s GLN 23 Cb -0.27 -2.33 -0.09 0.00 1.10 0.00 0.00 33.01 31.42 1pk4 s GLN 23 CO 0.34 -0.20 1.25 -1.12 -0.55 0.00 0.00 175.29 175.01 1pk4 s SER 24 N -1.83 6.97 0.43 6.67 0.01 -1.26 -4.60 113.70 120.09 1pk4 s SER 24 Ca 0.61 2.43 0.12 0.00 1.31 0.00 0.00 55.95 60.43 1pk4 s SER 24 Cb -0.17 -2.62 0.95 0.00 0.21 0.00 0.00 66.02 64.38 1pk4 s SER 24 CO 0.22 -0.42 1.99 -0.50 0.41 0.00 0.00 173.24 174.94 1pk4 h TRP 25 N 4.43 0.12 0.00 2.43 4.06 -1.76 -2.33 115.95 122.89 1pk4 h TRP 25 Ca -0.46 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1pk4 h TRP 25 Cb 1.22 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1pk4 h TRP 25 CO 0.59 0.23 -0.21 -1.13 -3.56 0.00 0.00 178.44 174.37 1pk4 n SER 26 N -4.35 0.38 -4.87 -3.49 3.41 -1.26 -4.57 113.62 98.87 1pk4 n SER 26 Ca -0.02 0.28 -0.32 0.00 -0.26 0.00 0.00 58.87 58.55 1pk4 n SER 26 Cb 0.22 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 1pk4 n SER 26 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pk4 s SER 27 N -3.48 6.66 -0.11 4.04 0.15 -0.88 -4.96 113.70 115.12 1pk4 s SER 27 Ca 0.12 1.00 0.17 0.00 0.70 0.00 0.00 55.95 57.93 1pk4 s SER 27 Cb 0.17 -2.26 0.62 0.00 -1.71 0.00 0.00 66.02 62.84 1pk4 s SER 27 CO 0.61 -0.09 1.54 0.23 1.20 0.00 0.00 173.24 176.73 1pk4 n MET 28 N -0.14 3.51 -4.17 5.44 0.00 -1.26 -4.78 117.12 115.72 1pk4 n MET 28 Ca 0.01 -2.76 -0.17 0.00 0.00 0.00 0.00 57.70 54.78 1pk4 n MET 28 Cb 0.52 -1.80 -0.15 0.00 0.00 0.00 0.00 33.22 31.79 1pk4 n MET 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1pk4 s THR 29 N -1.95 0.45 -1.36 2.03 -1.32 -1.26 -3.12 115.64 109.11 1pk4 s THR 29 Ca 0.45 -0.21 0.30 0.00 -1.21 0.00 0.00 61.69 61.02 1pk4 s THR 29 Cb 0.30 -0.40 0.46 0.00 -1.51 0.00 0.00 72.50 71.35 1pk4 s THR 29 CO 0.20 0.14 2.00 -0.81 -2.21 0.00 0.00 174.62 173.94 1pk4 n PRO 30 N 3.18 0.36 -5.03 7.08 -0.04 -1.26 -4.86 135.00 134.44 1pk4 n PRO 30 Ca -0.16 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 1pk4 n PRO 30 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1pk4 n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pk4 s HIS 31 N -2.65 2.64 0.37 0.54 3.76 -1.25 -4.98 115.29 113.71 1pk4 s HIS 31 Ca 0.26 -0.70 -0.13 0.00 -0.15 0.00 0.00 55.06 54.34 1pk4 s HIS 31 Cb 0.20 -1.72 -0.08 0.00 1.11 0.00 0.00 32.58 32.10 1pk4 s HIS 31 CO 0.48 -0.21 0.75 1.03 -0.85 0.00 0.00 174.74 175.94 1pk4 s ARG 32 N 0.07 3.88 0.20 1.40 0.52 -1.18 -4.42 118.95 119.42 1pk4 s ARG 32 Ca -0.08 0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 55.46 1pk4 s ARG 32 Cb -0.15 -2.41 0.06 0.00 0.52 0.00 0.00 34.95 32.97 1pk4 s ARG 32 CO 0.05 0.05 0.91 -3.38 0.02 0.00 0.00 175.30 172.96 1pk4 s HIS 33 N -2.19 -0.09 -0.34 -0.53 -3.43 -1.26 -5.05 115.29 102.39 1pk4 s HIS 33 Ca 0.53 -0.28 0.14 0.00 -0.80 0.00 0.00 55.06 54.65 1pk4 s HIS 33 Cb -0.10 0.68 0.40 0.00 -1.43 0.00 0.00 32.58 32.12 1pk4 s HIS 33 CO 0.25 -0.98 1.31 1.04 -2.00 0.00 0.00 174.74 174.36 1pk4 n GLN 34 N -0.50 2.68 -2.91 -0.38 6.02 -1.26 -4.79 117.38 116.23 1pk4 n GLN 34 Ca -0.05 -2.51 -0.43 0.00 -0.01 0.00 0.00 57.00 54.00 1pk4 n GLN 34 Cb 0.60 -1.59 0.01 0.00 1.02 0.00 0.00 30.24 30.28 1pk4 n GLN 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pk4 n LYS 35 N -0.39 4.45 -4.09 -1.09 4.01 -1.26 -4.74 118.16 115.05 1pk4 n LYS 35 Ca 0.16 -4.46 -0.25 0.00 -0.51 0.00 0.00 58.31 53.26 1pk4 n LYS 35 Cb 0.69 -2.55 -0.05 0.00 -0.51 0.00 0.00 35.03 32.61 1pk4 n LYS 35 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1pk4 s THR 37 N -2.56 4.52 0.60 -0.18 -4.23 -1.26 -4.84 115.64 107.68 1pk4 s THR 37 Ca 0.32 -1.16 0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1pk4 s THR 37 Cb 0.06 -3.35 0.37 0.00 1.34 0.00 0.00 72.50 70.92 1pk4 s THR 37 CO 0.09 -0.19 2.00 -0.65 -0.54 0.00 0.00 174.62 175.33 1pk4 h PRO 38 N 2.10 0.00 -0.15 3.99 0.11 -1.82 0.18 132.00 136.41 1pk4 h PRO 38 Ca -0.48 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 1pk4 h PRO 38 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pk4 h PRO 38 CO 0.63 0.00 -0.73 0.93 -0.21 0.00 0.00 178.00 178.61 1pk4 h GLU 39 N 0.00 0.68 0.00 1.05 3.07 -1.96 -2.86 114.58 114.57 1pk4 h GLU 39 Ca 0.13 -0.54 -0.19 0.00 -0.50 0.00 0.00 59.36 58.27 1pk4 h GLU 39 Cb 0.80 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1pk4 h GLU 39 CO -0.00 1.15 -0.96 -0.91 -1.40 0.00 0.00 179.01 176.90 1pk4 h ASN 40 N 0.47 0.00 -2.31 1.42 2.35 -1.22 -3.38 115.58 112.91 1pk4 h ASN 40 Ca -0.04 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.12 1pk4 h ASN 40 Cb 1.34 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.31 1pk4 h ASN 40 CO 0.14 0.87 -0.80 -1.22 -1.65 0.00 0.00 177.43 174.77 1pk4 n TYR 41 N -3.28 1.71 0.31 1.19 4.02 0.40 -4.97 117.16 116.55 1pk4 n TYR 41 Ca -0.01 -3.88 0.17 0.00 -0.01 0.00 0.00 57.90 54.17 1pk4 n TYR 41 Cb 0.90 -0.39 1.00 0.00 -0.02 0.00 0.00 39.34 40.82 1pk4 n TYR 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1pk4 h PRO 42 N 4.52 0.00 -0.39 -0.72 0.13 -1.70 -2.70 132.00 131.15 1pk4 h PRO 42 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1pk4 h PRO 42 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1pk4 h PRO 42 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1pk4 n ASN 43 N -3.65 3.40 -0.07 1.44 3.02 -1.26 -4.61 115.26 113.52 1pk4 n ASN 43 Ca -0.03 -1.97 0.14 0.00 -0.03 0.00 0.00 54.58 52.69 1pk4 n ASN 43 Cb 0.08 -0.25 0.65 0.00 -0.61 0.00 0.00 39.78 39.65 1pk4 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pk4 n ALA 44 N 1.41 2.69 -3.28 5.41 0.00 -1.02 -4.95 120.51 120.78 1pk4 n ALA 44 Ca 0.19 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1pk4 n ALA 44 Cb 0.58 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1pk4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk4 n GLY 45 N 1.29 -0.15 3.58 0.00 0.00 -1.26 -4.68 105.19 103.96 1pk4 n GLY 45 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1pk4 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk4 s LEU 46 N -5.61 3.00 0.16 0.99 1.02 -1.26 -4.95 118.68 112.03 1pk4 s LEU 46 Ca 0.42 -1.41 0.10 0.00 0.02 0.00 0.00 54.13 53.25 1pk4 s LEU 46 Cb -0.19 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.40 1pk4 s LEU 46 CO 0.52 -3.20 -0.22 0.42 0.02 0.00 0.00 176.35 173.89 1pk4 s THR 47 N 11.49 2.06 0.00 5.49 -4.23 -1.26 -4.58 115.64 124.60 1pk4 s THR 47 Ca 0.70 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1pk4 s THR 47 Cb -0.02 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1pk4 s THR 47 CO 0.11 -0.13 0.00 0.23 -0.54 0.00 0.00 174.62 174.29 1pk4 n MET 48 N 0.53 0.00 -0.65 3.99 2.81 -1.26 -2.69 117.12 119.85 1pk4 n MET 48 Ca -0.15 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.80 1pk4 n MET 48 Cb 0.55 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 33.21 1pk4 n MET 48 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1pk4 n ASN 49 N 1.77 1.61 -4.77 7.83 6.94 -1.26 -2.21 115.26 125.16 1pk4 n ASN 49 Ca 0.00 -3.29 -0.37 0.00 -0.02 0.00 0.00 54.58 50.90 1pk4 n ASN 49 Cb 0.00 -0.45 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 1pk4 n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1pk4 s TYR 50 N -2.40 2.87 0.24 -2.53 2.02 -1.10 -4.62 117.35 111.83 1pk4 s TYR 50 Ca 0.34 1.54 -0.31 0.00 -0.37 0.00 0.00 57.07 58.27 1pk4 s TYR 50 Cb 0.33 -3.36 -0.12 0.00 -0.40 0.00 0.00 41.96 38.42 1pk4 s TYR 50 CO -0.06 -1.47 1.67 0.00 -1.57 0.00 0.00 175.55 174.12 1pk4 n ARG 52 N 3.35 0.61 -3.23 0.00 5.12 -0.73 -4.81 116.66 116.97 1pk4 n ARG 52 Ca 0.13 -3.11 -0.24 0.00 -1.93 0.00 0.00 57.85 52.71 1pk4 n ARG 52 Cb 0.36 2.80 -0.07 0.00 -1.16 0.00 0.00 32.46 34.39 1pk4 n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1pk4 n ASN 53 N -1.62 -0.33 0.04 0.55 4.05 -1.26 -0.80 115.26 115.89 1pk4 n ASN 53 Ca 0.04 -2.61 -0.02 0.00 0.45 0.00 0.00 54.58 52.44 1pk4 n ASN 53 Cb 0.61 -0.42 0.26 0.00 1.23 0.00 0.00 39.78 41.46 1pk4 n ASN 53 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pk4 h PRO 54 N 4.62 0.41 -0.64 1.20 0.13 -1.94 -3.16 132.00 132.62 1pk4 h PRO 54 Ca 0.13 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pk4 h PRO 54 Cb 0.91 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1pk4 h PRO 54 CO 0.41 0.60 0.00 -0.40 -0.23 0.00 0.00 178.00 178.38 1pk4 n ASP 55 N -4.17 4.55 -3.89 1.44 5.75 -1.26 -4.96 116.55 114.02 1pk4 n ASP 55 Ca -0.00 -2.58 -0.24 0.00 -0.01 0.00 0.00 54.79 51.96 1pk4 n ASP 55 Cb 0.36 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.85 1pk4 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pk4 n ALA 56 N 0.74 -2.01 -1.40 2.12 0.00 -1.20 -5.00 120.51 113.76 1pk4 n ALA 56 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pk4 n ALA 56 Cb 0.91 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pk4 n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pk4 n ASP 57 N -3.00 0.00 0.28 0.00 2.03 -1.26 -4.99 116.55 109.60 1pk4 n ASP 57 Ca -0.31 -0.65 0.18 0.00 0.52 0.00 0.00 54.79 54.53 1pk4 n ASP 57 Cb 0.68 0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.85 1pk4 n ASP 57 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1pk4 h LYS 58 N 0.00 0.00 -1.53 -0.67 2.10 -1.95 -3.47 116.57 111.06 1pk4 h LYS 58 Ca 0.00 0.00 0.36 0.00 -2.00 0.00 0.00 60.65 59.01 1pk4 h LYS 58 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 1pk4 h LYS 58 CO 0.00 0.00 0.91 0.20 -2.00 0.00 0.00 179.45 178.56 1pk4 s GLY 60 N -4.11 -0.36 0.50 0.07 0.00 -1.23 -4.64 107.32 97.55 1pk4 s GLY 60 Ca 0.00 0.57 -0.23 0.00 0.00 0.00 0.00 44.72 45.06 1pk4 s GLY 60 CO 0.50 2.03 1.36 -4.14 0.00 0.00 0.00 173.10 172.85 1pk4 s PRO 61 N -2.18 3.42 0.26 2.90 0.02 -1.26 -4.81 135.00 133.35 1pk4 s PRO 61 Ca 0.20 2.26 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 1pk4 s PRO 61 Cb 0.04 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 1pk4 s PRO 61 CO -0.04 -0.98 0.42 1.67 -0.33 0.00 0.00 177.00 177.75 1pk4 s TRP 62 N -1.28 0.63 0.08 6.54 1.48 0.02 -1.73 118.94 124.67 1pk4 s TRP 62 Ca 0.67 -0.95 -0.25 0.00 -1.06 0.00 0.00 56.10 54.51 1pk4 s TRP 62 Cb -0.40 0.02 0.07 0.00 -1.16 0.00 0.00 33.47 31.99 1pk4 s TRP 62 CO 0.50 -0.97 0.60 0.00 -4.06 0.00 0.00 176.95 173.02 1pk4 s PHE 64 N -2.79 3.18 0.17 0.00 0.08 -1.26 -2.16 117.98 115.20 1pk4 s PHE 64 Ca -0.03 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.67 1pk4 s PHE 64 Cb -0.01 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1pk4 s PHE 64 CO -0.04 -0.84 0.27 0.99 -0.10 0.00 0.00 175.22 175.50 1pk4 s THR 65 N -1.63 5.14 -2.04 0.64 2.01 -0.60 -0.13 115.64 119.04 1pk4 s THR 65 Ca 0.59 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.85 1pk4 s THR 65 Cb -0.24 -3.68 0.25 0.00 0.01 0.00 0.00 72.50 68.85 1pk4 s THR 65 CO 0.29 -0.15 1.28 0.35 -0.69 0.00 0.00 174.62 175.71 1pk4 n THR 66 N -0.69 0.16 -3.26 -0.82 -2.24 0.05 -4.47 114.28 103.01 1pk4 n THR 66 Ca -0.08 -0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 1pk4 n THR 66 Cb 0.55 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1pk4 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pk4 s ASP 67 N -1.18 6.62 0.55 3.42 -1.08 -1.26 -4.86 116.67 118.88 1pk4 s ASP 67 Ca 0.16 0.75 0.22 0.00 -0.52 0.00 0.00 52.55 53.16 1pk4 s ASP 67 Cb 0.08 -2.29 1.50 0.00 -1.46 0.00 0.00 42.92 40.75 1pk4 s ASP 67 CO 0.12 -0.11 2.18 1.55 0.52 0.00 0.00 175.17 179.43 1pk4 h PRO 68 N 7.15 0.00 0.00 4.34 0.14 -1.94 -2.69 132.00 139.00 1pk4 h PRO 68 Ca -0.37 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.77 1pk4 h PRO 68 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.30 1pk4 h PRO 68 CO 0.75 0.00 -0.11 0.43 0.14 0.00 0.00 178.00 179.21 1pk4 n SER 69 N -4.24 0.44 -3.78 1.44 7.64 -1.26 -4.70 113.62 109.16 1pk4 n SER 69 Ca -0.02 0.43 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 1pk4 n SER 69 Cb 0.12 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.67 1pk4 n SER 69 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pk4 s VAL 70 N -3.06 0.82 0.09 0.44 1.01 -1.02 -5.04 120.40 113.66 1pk4 s VAL 70 Ca 0.12 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1pk4 s VAL 70 Cb 0.16 -1.32 -0.13 0.00 0.00 0.00 0.00 36.38 35.08 1pk4 s VAL 70 CO 0.59 -0.26 1.72 -0.09 0.00 0.00 0.00 175.10 177.06 1pk4 h ARG 71 N 8.15 -0.09 -2.80 2.72 2.43 -1.84 -3.36 114.38 119.59 1pk4 h ARG 71 Ca -0.16 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1pk4 h ARG 71 Cb 1.09 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.51 1pk4 h ARG 71 CO 0.38 -0.06 0.07 1.67 -1.51 0.00 0.00 179.97 180.52 1pk4 s TRP 72 N -6.18 -0.45 0.18 2.20 1.48 -1.26 -1.55 118.94 113.36 1pk4 s TRP 72 Ca -0.14 0.45 -0.11 0.00 -1.06 0.00 0.00 56.10 55.25 1pk4 s TRP 72 Cb 0.06 0.38 -0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1pk4 s TRP 72 CO 0.66 -0.69 0.34 -1.21 -4.06 0.00 0.00 176.95 172.00 1pk4 s GLU 73 N -2.71 1.24 0.67 3.25 2.02 -0.92 -4.92 118.70 117.34 1pk4 s GLU 73 Ca -0.04 -1.14 -0.14 0.00 0.02 0.00 0.00 54.97 53.67 1pk4 s GLU 73 Cb -0.00 0.41 -0.00 0.00 0.10 0.00 0.00 34.13 34.64 1pk4 s GLU 73 CO -0.04 -0.48 1.08 0.71 0.02 0.00 0.00 175.26 176.55 1pk4 s TYR 74 N -3.96 2.84 0.45 1.61 2.02 -1.26 -2.23 117.35 116.82 1pk4 s TYR 74 Ca 0.17 1.51 -0.09 0.00 -0.37 0.00 0.00 57.07 58.29 1pk4 s TYR 74 Cb 0.02 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.50 1pk4 s TYR 74 CO 0.01 -1.41 0.81 0.00 -1.57 0.00 0.00 175.55 173.39 1pk4 s ASN 76 N -3.51 6.69 -0.07 0.00 3.04 0.05 -4.38 114.94 116.76 1pk4 s ASN 76 Ca 0.51 -2.03 -0.11 0.00 0.04 0.00 0.00 52.86 51.27 1pk4 s ASN 76 Cb -0.10 -2.58 0.02 0.00 -1.54 0.00 0.00 41.25 37.06 1pk4 s ASN 76 CO 0.37 -1.32 0.28 -0.76 -3.04 0.00 0.00 177.10 172.64 1pk4 s LEU 77 N 4.56 0.94 0.11 3.21 1.43 -1.26 -4.90 118.68 122.77 1pk4 s LEU 77 Ca 0.51 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1pk4 s LEU 77 Cb 0.02 1.05 -0.04 0.00 0.03 0.00 0.00 46.19 47.25 1pk4 s LEU 77 CO 0.00 -0.23 0.28 -0.54 0.23 0.00 0.00 176.35 176.09 1pk4 s LYS 78 N -0.42 3.49 -0.61 1.70 -0.14 -1.26 -4.97 119.74 117.52 1pk4 s LYS 78 Ca -0.05 -0.38 -0.28 0.00 -1.36 0.00 0.00 55.97 53.90 1pk4 s LYS 78 Cb -0.04 -2.97 0.03 0.00 -1.68 0.00 0.00 37.83 33.18 1pk4 s LYS 78 CO 0.02 0.54 1.20 0.15 -0.76 0.00 0.00 175.35 176.50 1pk4 s LYS 79 N -2.74 3.44 0.00 1.68 -0.14 -1.26 -1.35 119.74 119.37 1pk4 s LYS 79 Ca 0.37 0.13 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 1pk4 s LYS 79 Cb -0.12 -4.05 0.00 0.00 -1.68 0.00 0.00 37.83 31.98 1pk4 s LYS 79 CO 0.27 -1.78 0.00 0.00 -0.76 0.00 0.00 175.35 173.09