#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcq s ASN 2 N 0.00 6.98 0.69 7.83 4.22 -1.26 -4.77 114.94 128.64 1pcq s ASN 2 Ca 0.00 1.65 -0.06 0.00 -2.14 0.00 0.00 52.86 52.31 1pcq s ASN 2 Cb 0.00 -2.52 0.06 0.00 1.28 0.00 0.00 41.25 40.07 1pcq s ASN 2 CO 0.00 -0.28 0.99 0.27 -2.04 0.00 0.00 177.10 176.04 1pcq s ILE 3 N -2.05 2.31 -0.30 0.54 -5.25 -1.26 -5.10 121.20 110.09 1pcq s ILE 3 Ca 0.58 -0.33 0.01 0.00 -0.99 0.00 0.00 60.65 59.93 1pcq s ILE 3 Cb -0.11 -2.98 0.14 0.00 2.95 0.00 0.00 42.46 42.46 1pcq s ILE 3 CO 0.16 0.00 0.33 -0.60 -1.79 0.00 0.00 174.94 173.04 1pcq s ARG 4 N -5.20 0.40 0.54 0.37 6.06 -1.26 -5.01 118.95 114.85 1pcq s ARG 4 Ca 0.60 -0.21 -0.19 0.00 -2.50 0.00 0.00 55.73 53.43 1pcq s ARG 4 Cb -0.10 -0.59 -0.06 0.00 0.06 0.00 0.00 34.95 34.26 1pcq s ARG 4 CO 0.44 -1.06 1.12 -1.25 -2.50 0.00 0.00 175.30 172.05 1pcq s PRO 5 N 2.24 3.39 -1.05 5.12 0.04 -1.26 -4.97 135.00 138.50 1pcq s PRO 5 Ca 0.11 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1pcq s PRO 5 Cb -0.14 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.65 1pcq s PRO 5 CO -0.27 -0.81 1.03 -1.17 0.04 0.00 0.00 177.00 175.81 1pcq s LEU 6 N -3.82 6.31 0.00 -3.56 1.98 -1.26 -4.28 118.68 114.05 1pcq s LEU 6 Ca 0.72 -3.48 0.00 0.00 -2.89 0.00 0.00 54.13 48.47 1pcq s LEU 6 Cb -0.23 -2.18 0.00 0.00 0.66 0.00 0.00 46.19 44.45 1pcq s LEU 6 CO 0.27 -0.32 0.00 0.00 -1.89 0.00 0.00 176.35 174.41 1pcq n HIS 7 N 2.84 -0.03 0.00 5.38 1.44 -1.26 -4.19 115.22 119.40 1pcq n HIS 7 Ca 0.22 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 1pcq n HIS 7 Cb 0.40 -0.52 0.00 0.00 0.12 0.00 0.00 29.99 29.99 1pcq n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1pcq n ASP 8 N 0.88 0.00 -4.84 4.39 2.03 -1.17 -4.73 116.55 113.11 1pcq n ASP 8 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 1pcq n ASP 8 Cb 0.00 -0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1pcq n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1pcq s ARG 9 N 0.00 3.95 -0.05 -0.67 1.81 -1.26 -2.11 118.95 120.63 1pcq s ARG 9 Ca 0.00 0.45 0.04 0.00 -1.72 0.00 0.00 55.73 54.50 1pcq s ARG 9 Cb 0.00 -3.13 -0.00 0.00 -0.45 0.00 0.00 34.95 31.37 1pcq s ARG 9 CO 0.00 0.62 -0.17 0.08 -0.68 0.00 0.00 175.30 175.15 1pcq s VAL 10 N -1.21 1.45 -0.28 3.52 1.01 0.94 -2.09 120.40 123.75 1pcq s VAL 10 Ca 0.29 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1pcq s VAL 10 Cb -0.16 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1pcq s VAL 10 CO 0.16 0.42 0.11 -0.63 0.00 0.00 0.00 175.10 175.17 1pcq s ILE 11 N 0.05 4.53 0.15 2.22 1.01 -0.63 -2.52 121.20 126.00 1pcq s ILE 11 Ca -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1pcq s ILE 11 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1pcq s ILE 11 CO 0.02 0.23 -0.15 0.68 0.00 0.00 0.00 174.94 175.72 1pcq s VAL 12 N 1.63 1.53 -0.12 2.92 -7.23 -0.67 -0.71 120.40 117.75 1pcq s VAL 12 Ca 0.06 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1pcq s VAL 12 Cb -0.16 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 1pcq s VAL 12 CO 0.05 -0.42 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.64 1pcq s LYS 13 N -2.86 3.16 0.87 4.82 -2.85 -0.63 -0.38 119.74 121.87 1pcq s LYS 13 Ca 0.13 -0.80 -0.12 0.00 -1.00 0.00 0.00 55.97 54.18 1pcq s LYS 13 Cb -0.04 -2.45 0.10 0.00 -2.06 0.00 0.00 37.83 33.37 1pcq s LYS 13 CO 0.04 0.14 1.05 -2.13 0.10 0.00 0.00 175.35 174.56 1pcq n ARG 14 N 3.66 -0.15 0.00 1.78 0.63 -1.26 -1.68 116.66 119.64 1pcq n ARG 14 Ca -0.19 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1pcq n ARG 14 Cb 0.53 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1pcq n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1pcq n LYS 15 N -3.38 3.25 -3.21 -0.14 5.02 -0.60 -4.83 118.16 114.28 1pcq n LYS 15 Ca 0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 1pcq n LYS 15 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 1pcq n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pcq s GLU 16 N 4.10 4.34 -0.45 1.97 0.41 -1.26 -4.94 118.70 122.87 1pcq s GLU 16 Ca 0.00 0.59 -0.27 0.00 -0.41 0.00 0.00 54.97 54.88 1pcq s GLU 16 Cb 0.00 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.85 1pcq s GLU 16 CO 0.00 0.05 2.00 0.08 -0.49 0.00 0.00 175.26 176.91 1pcq s VAL 17 N 0.92 3.28 -0.99 2.63 1.01 -1.26 -3.63 120.40 122.36 1pcq s VAL 17 Ca 0.29 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.36 1pcq s VAL 17 Cb -0.16 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1pcq s VAL 17 CO 0.12 -0.45 0.68 -0.62 0.00 0.00 0.00 175.10 174.83 1pcq n GLU 18 N 8.87 -1.10 -1.58 2.72 1.02 -1.26 -4.69 120.64 124.61 1pcq n GLU 18 Ca 0.26 0.60 -0.62 0.00 -0.02 0.00 0.00 57.16 57.38 1pcq n GLU 18 Cb 0.50 -3.22 -0.10 0.00 -0.02 0.00 0.00 31.44 28.61 1pcq n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pcq n THR 19 N -3.52 0.08 -1.83 2.62 -1.04 -1.24 -4.63 114.28 104.73 1pcq n THR 19 Ca -0.17 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 1pcq n THR 19 Cb 0.61 -0.75 -0.08 0.00 -1.82 0.00 0.00 70.33 68.29 1pcq n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pcq s LYS 20 N 4.21 1.93 0.00 -2.82 3.01 -1.26 -3.62 119.74 121.19 1pcq s LYS 20 Ca 1.08 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 1pcq s LYS 20 Cb -1.35 -5.04 0.00 0.00 -1.01 0.00 0.00 37.83 30.43 1pcq s LYS 20 CO 0.71 -4.42 0.00 -1.13 0.51 0.00 0.00 175.35 171.03 1pcq n SER 21 N 16.77 0.00 -4.58 2.83 3.41 -1.24 -4.70 113.62 126.12 1pcq n SER 21 Ca 0.43 -0.11 -0.48 0.00 -0.26 0.00 0.00 58.87 58.45 1pcq n SER 21 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1pcq n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcq n ALA 22 N 0.00 -0.71 -0.77 7.33 0.00 -1.24 -1.78 120.51 123.34 1pcq n ALA 22 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1pcq n ALA 22 Cb 0.03 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1pcq n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcq n GLY 23 N 1.92 0.71 0.00 0.00 0.00 -1.26 -4.45 105.19 102.10 1pcq n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pcq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pcq n GLY 24 N -2.50 1.21 0.10 -0.02 0.00 -0.73 -4.66 105.19 98.59 1pcq n GLY 24 Ca 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.16 1pcq n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pcq h ILE 25 N 0.00 0.00 -2.89 -0.61 2.04 -1.87 -3.45 117.51 110.73 1pcq h ILE 25 Ca 0.00 -0.83 -0.53 0.00 1.00 0.00 0.00 64.86 64.50 1pcq h ILE 25 Cb 0.00 1.34 0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1pcq h ILE 25 CO 0.00 0.00 0.82 -0.69 0.00 0.00 0.00 178.15 178.28 1pcq s VAL 26 N -3.30 2.89 -1.03 1.67 1.01 -1.26 -4.92 120.40 115.46 1pcq s VAL 26 Ca 0.02 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 1pcq s VAL 26 Cb 0.11 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1pcq s VAL 26 CO 0.77 0.05 1.29 -0.22 0.00 0.00 0.00 175.10 176.99 1pcq s LEU 27 N 1.13 4.68 -0.47 3.92 0.20 -1.26 -3.60 118.68 123.28 1pcq s LEU 27 Ca 0.68 -2.16 -0.27 0.00 0.69 0.00 0.00 54.13 53.08 1pcq s LEU 27 Cb -0.41 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.86 1pcq s LEU 27 CO 0.31 -1.09 2.20 0.28 -0.29 0.00 0.00 176.35 177.76 1pcq s THR 28 N 2.99 3.13 0.62 3.68 -1.32 -1.26 -4.94 115.64 118.54 1pcq s THR 28 Ca 0.39 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.78 1pcq s THR 28 Cb -0.03 -3.29 -0.02 0.00 -1.51 0.00 0.00 72.50 67.65 1pcq s THR 28 CO -0.06 -0.26 1.21 -0.83 -2.21 0.00 0.00 174.62 172.47 1pcq s GLY 29 N 10.15 2.67 -0.52 6.08 0.00 -1.26 -4.70 107.32 119.74 1pcq s GLY 29 Ca 0.89 1.00 -0.33 0.00 0.00 0.00 0.00 44.72 46.27 1pcq s GLY 29 CO 0.27 1.39 2.33 -1.26 0.00 0.00 0.00 173.10 175.83 1pcq n SER 30 N -1.83 1.67 -2.09 1.64 2.88 -1.26 -4.80 113.62 109.83 1pcq n SER 30 Ca 0.14 0.21 -0.21 0.00 -1.33 0.00 0.00 58.87 57.68 1pcq n SER 30 Cb 0.50 -1.22 0.18 0.00 -0.75 0.00 0.00 64.21 62.92 1pcq n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcq n ALA 31 N 10.93 5.43 -2.71 -1.46 0.00 -1.26 -4.93 120.51 126.51 1pcq n ALA 31 Ca 0.47 -2.93 -0.06 0.00 0.00 0.00 0.00 53.44 50.92 1pcq n ALA 31 Cb 0.22 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1pcq n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcq n ALA 32 N -1.14 -3.11 -3.83 0.00 0.00 -1.26 -5.09 120.51 106.08 1pcq n ALA 32 Ca 0.56 0.96 -0.06 0.00 0.00 0.00 0.00 53.44 54.90 1pcq n ALA 32 Cb 1.59 -2.97 0.01 0.00 0.00 0.00 0.00 19.45 18.08 1pcq n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcq s ALA 33 N -2.28 -1.19 0.13 0.00 0.00 -1.26 -5.20 121.76 111.96 1pcq s ALA 33 Ca 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1pcq s ALA 33 Cb -0.05 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1pcq s ALA 33 CO 0.71 -1.03 0.06 1.17 0.00 0.00 0.00 175.76 176.67 1pcq n LYS 34 N -0.57 0.67 -4.38 0.00 3.00 -1.26 -4.84 118.16 110.79 1pcq n LYS 34 Ca -0.06 -1.10 -0.34 0.00 -0.00 0.00 0.00 58.31 56.81 1pcq n LYS 34 Cb 0.60 0.66 -0.09 0.00 0.00 0.00 0.00 35.03 36.19 1pcq n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pcq s SER 35 N -1.79 5.07 0.00 3.14 0.15 -1.26 -4.40 113.70 114.60 1pcq s SER 35 Ca 0.08 0.04 0.17 0.00 0.70 0.00 0.00 55.95 56.94 1pcq s SER 35 Cb 0.00 -1.35 0.04 0.00 -1.71 0.00 0.00 66.02 63.00 1pcq s SER 35 CO 0.06 0.33 0.94 0.35 1.20 0.00 0.00 173.24 176.12 1pcq n THR 36 N 1.82 0.00 -3.76 6.45 -2.24 -1.26 -4.88 114.28 110.41 1pcq n THR 36 Ca -0.17 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 1pcq n THR 36 Cb 0.53 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1pcq n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pcq s ARG 37 N -1.81 3.54 0.22 -0.78 3.00 -1.26 -2.34 118.95 119.52 1pcq s ARG 37 Ca 0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 55.73 55.42 1pcq s ARG 37 Cb 0.14 -2.91 0.04 0.00 0.00 0.00 0.00 34.95 32.22 1pcq s ARG 37 CO 0.36 0.50 0.74 0.20 0.00 0.00 0.00 175.30 177.10 1pcq s GLY 38 N -2.60 -0.23 -0.06 -3.53 0.00 -0.61 -1.56 107.32 98.73 1pcq s GLY 38 Ca 0.39 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1pcq s GLY 38 CO 0.26 -0.01 -0.15 1.85 0.00 0.00 0.00 173.10 175.05 1pcq s GLU 39 N -3.75 2.57 0.16 2.90 2.12 -0.68 -0.65 118.70 121.38 1pcq s GLU 39 Ca 0.09 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1pcq s GLU 39 Cb -0.04 -2.37 -0.07 0.00 0.26 0.00 0.00 34.13 31.91 1pcq s GLU 39 CO 0.02 0.57 1.12 0.08 -0.54 0.00 0.00 175.26 176.50 1pcq s VAL 40 N -0.58 3.87 -0.02 3.70 1.01 -0.83 -1.61 120.40 125.93 1pcq s VAL 40 Ca 0.08 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.64 1pcq s VAL 40 Cb -0.11 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1pcq s VAL 40 CO 0.01 0.25 -0.01 0.18 0.00 0.00 0.00 175.10 175.53 1pcq n LEU 41 N 2.60 1.93 -3.67 3.92 4.77 0.12 -2.42 117.00 124.24 1pcq n LEU 41 Ca 0.04 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1pcq n LEU 41 Cb 0.46 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1pcq n LEU 41 CO 0.54 0.37 0.19 0.00 -1.33 0.00 0.00 177.39 177.16 1pcq s ALA 42 N -2.05 -1.21 -0.03 -1.18 0.00 -1.21 -4.87 121.76 111.21 1pcq s ALA 42 Ca -0.03 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1pcq s ALA 42 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1pcq s ALA 42 CO 0.07 -0.28 -0.09 0.08 0.00 0.00 0.00 175.76 175.54 1pcq s VAL 43 N -0.75 0.76 1.02 0.00 1.01 -1.26 -1.61 120.40 119.57 1pcq s VAL 43 Ca -0.08 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1pcq s VAL 43 Cb -0.03 -0.69 0.22 0.00 0.00 0.00 0.00 36.38 35.88 1pcq s VAL 43 CO 0.05 0.24 1.25 -0.83 0.00 0.00 0.00 175.10 175.81 1pcq s GLY 44 N 0.25 1.71 0.06 4.51 0.00 -0.89 -4.76 107.32 108.21 1pcq s GLY 44 Ca -0.04 -1.10 -0.33 0.00 0.00 0.00 0.00 44.72 43.25 1pcq s GLY 44 CO 0.01 -0.31 1.50 3.43 0.00 0.00 0.00 173.10 177.72 1pcq h ASN 45 N -1.89 -1.08 0.00 1.64 2.35 -1.89 -3.42 115.58 111.29 1pcq h ASN 45 Ca -0.45 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1pcq h ASN 45 Cb 1.26 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.93 1pcq h ASN 45 CO 0.38 -0.69 0.00 0.61 -1.65 0.00 0.00 177.43 176.08 1pcq n GLY 46 N -1.57 -2.35 3.76 2.83 0.00 -1.26 -3.55 105.19 103.04 1pcq n GLY 46 Ca -0.14 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1pcq n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pcq s ARG 47 N -1.97 4.43 -0.01 1.61 3.52 -1.18 -3.07 118.95 122.28 1pcq s ARG 47 Ca 0.00 2.09 0.13 0.00 -0.13 0.00 0.00 55.73 57.81 1pcq s ARG 47 Cb 0.00 -3.12 -0.21 0.00 -1.56 0.00 0.00 34.95 30.05 1pcq s ARG 47 CO 0.00 -0.10 0.74 0.82 -0.81 0.00 0.00 175.30 175.95 1pcq h ILE 48 N 3.17 0.87 -1.78 4.11 2.04 -1.92 -3.19 117.51 120.80 1pcq h ILE 48 Ca -0.48 -2.66 -0.60 0.00 1.00 0.00 0.00 64.86 62.12 1pcq h ILE 48 Cb 1.22 2.40 0.16 0.00 -0.74 0.00 0.00 36.82 39.87 1pcq h ILE 48 CO 0.68 0.50 -1.02 0.18 0.00 0.00 0.00 178.15 178.49 1pcq n LEU 49 N -3.05 -3.16 0.00 1.44 4.77 -1.26 -3.03 117.00 112.71 1pcq n LEU 49 Ca -0.14 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1pcq n LEU 49 Cb 1.01 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1pcq n LEU 49 CO 0.45 -4.36 0.00 1.21 -1.33 0.00 0.00 177.39 173.36 1pcq n GLU 50 N 1.38 0.00 0.00 3.23 4.07 -1.26 -4.63 120.64 123.43 1pcq n GLU 50 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1pcq n GLU 50 Cb 0.42 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 28.91 1pcq n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1pcq n ASN 51 N 0.00 0.00 -2.13 4.31 5.15 -1.17 -4.89 115.26 116.53 1pcq n ASN 51 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1pcq n ASN 51 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1pcq n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pcq n GLY 52 N 0.00 -0.16 6.25 8.20 0.00 -1.26 -4.66 105.19 113.56 1pcq n GLY 52 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1pcq n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pcq n GLU 53 N 3.91 0.00 -3.44 1.61 4.71 -1.26 -4.62 120.64 121.54 1pcq n GLU 53 Ca 0.30 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.33 1pcq n GLU 53 Cb -0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 1pcq n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pcq s VAL 54 N 0.00 -0.52 0.05 2.62 1.01 -1.26 -4.75 120.40 117.55 1pcq s VAL 54 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1pcq s VAL 54 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1pcq s VAL 54 CO 0.00 -0.10 1.07 -1.59 0.00 0.00 0.00 175.10 174.48 1pcq s LYS 55 N 2.49 4.53 0.82 2.72 -2.85 -1.21 -4.86 119.74 121.38 1pcq s LYS 55 Ca 0.09 1.58 -0.11 0.00 -1.00 0.00 0.00 55.97 56.53 1pcq s LYS 55 Cb -0.15 -3.39 0.09 0.00 -2.06 0.00 0.00 37.83 32.32 1pcq s LYS 55 CO -0.14 -0.09 1.12 -1.25 0.10 0.00 0.00 175.35 175.09 1pcq s PRO 56 N 0.80 1.79 0.55 1.78 0.04 -1.26 -3.13 135.00 135.57 1pcq s PRO 56 Ca 0.54 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 1pcq s PRO 56 Cb -0.25 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1pcq s PRO 56 CO 0.29 -2.02 0.91 -0.51 0.04 0.00 0.00 177.00 175.71 1pcq s LEU 57 N -6.14 3.42 -0.07 -3.56 1.43 -1.23 -4.90 118.68 107.64 1pcq s LEU 57 Ca 0.64 1.18 0.13 0.00 -1.03 0.00 0.00 54.13 55.05 1pcq s LEU 57 Cb -0.20 -4.18 0.50 0.00 0.03 0.00 0.00 46.19 42.34 1pcq s LEU 57 CO 0.56 -0.73 1.37 0.47 0.23 0.00 0.00 176.35 178.26 1pcq n ASP 58 N -2.51 3.36 -4.19 2.29 9.92 -1.26 -4.82 116.55 119.34 1pcq n ASP 58 Ca 0.03 -2.26 -0.33 0.00 -0.53 0.00 0.00 54.79 51.71 1pcq n ASP 58 Cb 0.55 -0.46 -0.16 0.00 -0.64 0.00 0.00 41.12 40.41 1pcq n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1pcq s VAL 59 N -1.67 2.33 0.29 2.53 -7.23 -1.26 -5.12 120.40 110.26 1pcq s VAL 59 Ca 0.36 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.56 1pcq s VAL 59 Cb 0.22 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 1pcq s VAL 59 CO 0.19 0.53 0.62 -1.59 -0.31 0.00 0.00 175.10 174.53 1pcq s LYS 60 N 1.06 3.79 -0.34 4.82 -2.85 -1.26 -4.95 119.74 120.01 1pcq s LYS 60 Ca -0.01 0.32 -0.28 0.00 -1.00 0.00 0.00 55.97 55.00 1pcq s LYS 60 Cb -0.14 -2.56 -0.07 0.00 -2.06 0.00 0.00 37.83 33.00 1pcq s LYS 60 CO -0.06 0.20 2.30 0.28 0.10 0.00 0.00 175.35 178.17 1pcq n VAL 61 N -0.57 0.17 0.00 1.79 0.31 -1.26 -3.06 118.33 115.70 1pcq n VAL 61 Ca 0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1pcq n VAL 61 Cb 0.53 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 1pcq n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pcq n GLY 62 N 5.93 1.82 3.84 2.92 0.00 -1.02 -4.97 105.19 113.72 1pcq n GLY 62 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1pcq n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pcq s ASP 63 N -1.95 6.87 -0.43 1.61 1.01 -1.17 -4.75 116.67 117.86 1pcq s ASP 63 Ca 0.00 1.42 -0.22 0.00 0.71 0.00 0.00 52.55 54.46 1pcq s ASP 63 Cb 0.00 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.52 1pcq s ASP 63 CO 0.00 -0.22 0.73 -0.63 0.21 0.00 0.00 175.17 175.26 1pcq s ILE 64 N -1.98 4.74 0.08 0.77 1.01 -1.26 -1.97 121.20 122.58 1pcq s ILE 64 Ca 0.55 0.40 0.09 0.00 0.00 0.00 0.00 60.65 61.69 1pcq s ILE 64 Cb -0.11 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1pcq s ILE 64 CO 0.17 -0.61 -0.23 0.68 0.00 0.00 0.00 174.94 174.95 1pcq s VAL 65 N 3.07 2.45 -0.22 2.92 -7.23 0.18 -0.25 120.40 121.31 1pcq s VAL 65 Ca 0.27 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1pcq s VAL 65 Cb -0.13 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1pcq s VAL 65 CO 0.20 0.24 0.14 -0.63 -0.31 0.00 0.00 175.10 174.74 1pcq s ILE 66 N -0.96 5.26 0.27 -0.62 1.01 -0.92 -1.57 121.20 123.67 1pcq s ILE 66 Ca 0.14 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1pcq s ILE 66 Cb -0.10 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1pcq s ILE 66 CO 0.05 0.38 -0.02 0.72 0.00 0.00 0.00 174.94 176.08 1pcq s PHE 67 N 0.81 1.84 -0.25 3.97 -0.12 -0.99 -1.17 117.98 122.07 1pcq s PHE 67 Ca 0.07 -0.81 -0.13 0.00 -0.05 0.00 0.00 56.93 56.00 1pcq s PHE 67 Cb -0.13 -1.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.13 1pcq s PHE 67 CO 0.02 0.13 0.29 1.21 -0.05 0.00 0.00 175.22 176.83 1pcq s ASN 68 N -3.41 6.21 -1.45 1.98 3.84 -0.42 -4.84 114.94 116.85 1pcq s ASN 68 Ca 0.30 0.23 -0.10 0.00 0.21 0.00 0.00 52.86 53.51 1pcq s ASN 68 Cb 0.05 -2.17 -0.07 0.00 -0.55 0.00 0.00 41.25 38.51 1pcq s ASN 68 CO 0.11 -0.08 2.71 -0.67 -2.79 0.00 0.00 177.10 176.38 1pcq n ASP 69 N 4.88 7.47 -3.06 -4.21 -0.08 -1.26 -4.89 116.55 115.41 1pcq n ASP 69 Ca -0.11 -2.54 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 1pcq n ASP 69 Cb 0.51 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1pcq n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pcq n GLY 70 N 3.68 -0.16 0.13 0.27 0.00 -1.26 -4.95 105.19 102.90 1pcq n GLY 70 Ca 0.69 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 1pcq n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pcq h TYR 71 N -0.03 0.71 0.00 1.61 3.20 -2.04 -3.30 116.97 117.12 1pcq h TYR 71 Ca 0.00 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1pcq h TYR 71 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1pcq h TYR 71 CO 0.00 1.36 0.00 0.41 -1.64 0.00 0.00 178.16 178.29 1pcq n GLY 72 N 1.54 -0.48 3.64 1.82 0.00 -1.26 -4.58 105.19 105.87 1pcq n GLY 72 Ca -0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1pcq n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pcq s VAL 73 N -2.94 4.71 0.22 1.61 1.01 -1.24 -4.54 120.40 119.23 1pcq s VAL 73 Ca 0.00 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.72 1pcq s VAL 73 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1pcq s VAL 73 CO 0.00 -0.23 -0.06 -0.54 0.00 0.00 0.00 175.10 174.28 1pcq s LYS 74 N 3.14 2.16 -0.03 2.72 -0.14 -0.58 -4.94 119.74 122.06 1pcq s LYS 74 Ca 0.39 -1.34 0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1pcq s LYS 74 Cb -0.14 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1pcq s LYS 74 CO 0.10 0.40 -0.15 0.45 -0.76 0.00 0.00 175.35 175.40 1pcq s SER 75 N -3.20 4.01 0.15 2.83 0.15 -1.26 -1.06 113.70 115.31 1pcq s SER 75 Ca 0.28 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 1pcq s SER 75 Cb -0.08 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 1pcq s SER 75 CO 0.17 0.33 0.09 -1.61 1.20 0.00 0.00 173.24 173.43 1pcq s GLU 76 N -0.86 1.01 -0.23 5.44 0.41 -0.59 -4.98 118.70 118.90 1pcq s GLU 76 Ca 0.12 -1.46 0.02 0.00 -0.41 0.00 0.00 54.97 53.25 1pcq s GLU 76 Cb -0.11 0.26 0.05 0.00 -1.78 0.00 0.00 34.13 32.55 1pcq s GLU 76 CO 0.01 -0.30 -0.14 0.21 -0.49 0.00 0.00 175.26 174.56 1pcq s LYS 77 N -4.06 2.44 -0.16 1.61 2.47 -1.26 -2.30 119.74 118.47 1pcq s LYS 77 Ca 0.27 -1.15 0.00 0.00 -1.56 0.00 0.00 55.97 53.53 1pcq s LYS 77 Cb 0.07 -2.75 0.03 0.00 -1.46 0.00 0.00 37.83 33.72 1pcq s LYS 77 CO 0.04 -0.45 -0.11 0.42 0.16 0.00 0.00 175.35 175.40 1pcq s ILE 78 N 1.19 1.49 -1.63 5.43 1.09 -1.03 -4.69 121.20 123.04 1pcq s ILE 78 Ca -0.04 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1pcq s ILE 78 Cb -0.18 -1.48 0.00 0.00 -1.06 0.00 0.00 42.46 39.74 1pcq s ILE 78 CO -0.08 0.33 0.00 0.47 -0.10 0.00 0.00 174.94 175.56 1pcq n ASP 79 N 4.77 -4.45 -0.93 3.58 8.00 -1.26 -0.39 116.55 125.87 1pcq n ASP 79 Ca -0.15 0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.59 1pcq n ASP 79 Cb 0.49 -3.95 0.01 0.00 -0.02 0.00 0.00 41.12 37.65 1pcq n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pcq n ASN 80 N -1.16 -2.74 -4.38 -2.24 2.85 -1.26 -5.07 115.26 101.26 1pcq n ASN 80 Ca -0.17 -0.05 -0.32 0.00 -0.11 0.00 0.00 54.58 53.92 1pcq n ASN 80 Cb 0.57 -1.84 -0.15 0.00 1.24 0.00 0.00 39.78 39.60 1pcq n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1pcq s GLU 81 N -4.64 2.63 -0.44 1.20 8.01 0.47 -5.09 118.70 120.84 1pcq s GLU 81 Ca 0.05 -0.78 -0.29 0.00 0.01 0.00 0.00 54.97 53.96 1pcq s GLU 81 Cb -0.02 -2.32 0.02 0.00 -4.31 0.00 0.00 34.13 27.49 1pcq s GLU 81 CO 0.07 0.47 1.33 -1.21 0.01 0.00 0.00 175.26 175.93 1pcq s GLU 82 N -0.35 3.59 0.28 1.61 0.41 -1.26 -2.47 118.70 120.51 1pcq s GLU 82 Ca 0.03 0.78 0.07 0.00 -0.41 0.00 0.00 54.97 55.44 1pcq s GLU 82 Cb -0.12 -4.00 -0.06 0.00 -1.78 0.00 0.00 34.13 28.17 1pcq s GLU 82 CO 0.02 -1.55 -0.08 0.14 -0.49 0.00 0.00 175.26 173.31 1pcq s VAL 83 N 5.20 1.77 0.02 2.63 -7.23 -0.97 -4.44 120.40 117.37 1pcq s VAL 83 Ca 0.57 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1pcq s VAL 83 Cb -0.11 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1pcq s VAL 83 CO 0.32 -0.32 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.91 1pcq s LEU 84 N -3.46 2.11 -0.12 1.32 1.02 0.49 -1.54 118.68 118.50 1pcq s LEU 84 Ca 0.29 -0.35 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1pcq s LEU 84 Cb 0.03 -0.54 0.02 0.00 0.02 0.00 0.00 46.19 45.72 1pcq s LEU 84 CO 0.12 0.06 -0.09 -0.63 0.02 0.00 0.00 176.35 175.83 1pcq s ILE 85 N -0.63 1.16 0.29 -0.59 1.01 -0.23 -1.67 121.20 120.54 1pcq s ILE 85 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1pcq s ILE 85 Cb -0.06 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1pcq s ILE 85 CO 0.00 0.38 0.34 0.00 0.00 0.00 0.00 174.94 175.67 1pcq s MET 86 N 1.65 1.64 0.50 2.79 0.23 -1.05 -1.53 119.30 123.53 1pcq s MET 86 Ca 0.05 -1.70 -0.01 0.00 -1.03 0.00 0.00 55.69 53.00 1pcq s MET 86 Cb -0.13 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.56 1pcq s MET 86 CO -0.09 -0.63 0.73 -1.54 -2.03 0.00 0.00 175.02 171.46 1pcq s SER 87 N -3.21 5.67 0.42 -1.18 1.04 -1.26 -0.04 113.70 115.13 1pcq s SER 87 Ca 0.34 0.30 0.14 0.00 0.48 0.00 0.00 55.95 57.20 1pcq s SER 87 Cb 0.02 -1.43 0.99 0.00 0.10 0.00 0.00 66.02 65.71 1pcq s SER 87 CO 0.18 -0.86 1.94 -0.08 0.98 0.00 0.00 173.24 175.40 1pcq h GLU 88 N 0.22 0.46 -0.79 4.02 4.81 -1.78 -1.69 114.58 119.83 1pcq h GLU 88 Ca -0.45 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1pcq h GLU 88 Cb 1.26 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1pcq h GLU 88 CO 0.57 0.30 0.53 0.77 -0.73 0.00 0.00 179.01 180.45 1pcq h SER 89 N 0.47 0.40 1.13 1.04 0.02 -1.94 0.44 113.55 115.12 1pcq h SER 89 Ca 0.34 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1pcq h SER 89 Cb 0.68 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1pcq h SER 89 CO -0.11 0.20 -0.00 0.47 -1.14 0.00 0.00 176.83 176.25 1pcq n ASP 90 N -4.49 0.23 -4.76 3.07 8.00 -0.64 -4.77 116.55 113.20 1pcq n ASP 90 Ca 0.15 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.79 1pcq n ASP 90 Cb 0.56 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1pcq n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pcq s ILE 91 N -3.03 4.94 -0.12 0.53 1.01 0.14 -1.30 121.20 123.37 1pcq s ILE 91 Ca 0.13 1.21 0.05 0.00 0.00 0.00 0.00 60.65 62.04 1pcq s ILE 91 Cb 0.17 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1pcq s ILE 91 CO 0.55 0.41 -0.05 0.18 0.00 0.00 0.00 174.94 176.03 1pcq n LEU 92 N 2.79 1.58 -3.83 2.97 4.77 -0.32 -4.97 117.00 119.99 1pcq n LEU 92 Ca -0.07 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1pcq n LEU 92 Cb 0.51 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1pcq n LEU 92 CO 0.43 0.52 0.51 0.00 -1.33 0.00 0.00 177.39 177.52 1pcq s ALA 93 N -2.27 -0.74 0.05 -1.18 0.00 -1.03 -5.01 121.76 111.58 1pcq s ALA 93 Ca -0.12 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1pcq s ALA 93 Cb 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1pcq s ALA 93 CO 0.38 -0.99 -0.18 0.42 0.00 0.00 0.00 175.76 175.40 1pcq s ILE 94 N -2.54 1.43 -0.52 0.00 1.01 -1.26 -2.15 121.20 117.17 1pcq s ILE 94 Ca 0.16 -1.19 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 1pcq s ILE 94 Cb -0.05 -1.28 0.10 0.00 0.01 0.00 0.00 42.46 41.25 1pcq s ILE 94 CO 0.11 0.05 0.49 -0.69 0.00 0.00 0.00 174.94 174.90 1pcq s VAL 95 N -0.92 5.16 -0.09 2.92 1.01 0.66 -4.94 120.40 124.20 1pcq s VAL 95 Ca 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 1pcq s VAL 95 Cb -0.09 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1pcq s VAL 95 CO 0.02 -0.79 -0.03 -1.61 0.00 0.00 0.00 175.10 172.69 1pcq s GLU 96 N 1.78 2.98 0.00 2.72 2.02 -1.26 -4.56 118.70 122.38 1pcq s GLU 96 Ca 0.05 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1pcq s GLU 96 Cb -0.27 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1pcq s GLU 96 CO 0.05 0.62 0.00 0.00 0.02 0.00 0.00 175.26 175.95