#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 6.95 0.70 7.83 4.22 -1.26 -4.77 114.94 128.61 1pcq s ASN 2 Ca 0.00 1.63 -0.06 0.00 -2.14 0.00 0.00 52.86 52.30 1pcq s ASN 2 Cb 0.00 -2.51 0.07 0.00 1.28 0.00 0.00 41.25 40.09 1pcq s ASN 2 CO 0.00 -0.30 1.00 0.27 -2.04 0.00 0.00 177.10 176.02 1pcq s ILE 3 N -2.09 2.30 -0.30 0.54 -5.25 -1.26 -5.10 121.20 110.04 1pcq s ILE 3 Ca 0.59 -0.34 0.01 0.00 -0.99 0.00 0.00 60.65 59.92 1pcq s ILE 3 Cb -0.10 -2.96 0.15 0.00 2.95 0.00 0.00 42.46 42.50 1pcq s ILE 3 CO 0.15 0.00 0.34 -0.60 -1.79 0.00 0.00 174.94 173.04 1pcq s ARG 4 N -5.21 0.40 0.54 0.37 6.06 -1.26 -5.01 118.95 114.85 1pcq s ARG 4 Ca 0.61 -0.18 -0.19 0.00 -2.50 0.00 0.00 55.73 53.47 1pcq s ARG 4 Cb -0.10 -0.56 -0.06 0.00 0.06 0.00 0.00 34.95 34.30 1pcq s ARG 4 CO 0.44 -1.06 1.11 -1.25 -2.50 0.00 0.00 175.30 172.05 1pcq s PRO 5 N 2.26 3.39 -1.04 5.12 0.04 -1.26 -4.97 135.00 138.54 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 -2.02 0.26 0.00 0.04 0.00 0.00 34.50 32.65 1pcq s PRO 5 CO -0.27 -0.80 1.01 -1.17 0.04 0.00 0.00 177.00 175.81 1pcq s LEU 6 N -3.82 6.29 0.00 -3.56 1.98 -1.26 -4.27 118.68 114.05 1pcq s LEU 6 Ca 0.71 -3.48 0.00 0.00 -2.89 0.00 0.00 54.13 48.48 1pcq s LEU 6 Cb -0.22 -2.17 0.00 0.00 0.66 0.00 0.00 46.19 44.46 1pcq s LEU 6 CO 0.27 -0.31 0.00 0.00 -1.89 0.00 0.00 176.35 174.41 1pcq n HIS 7 N 2.84 -0.02 0.00 5.38 1.44 -1.26 -4.19 115.22 119.41 1pcq n HIS 7 Ca 0.22 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1pcq n HIS 7 Cb 0.40 -0.51 0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 0.87 0.00 -4.84 4.39 2.03 -1.18 -4.73 116.55 113.09 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 -0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 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 3.96 -0.04 -0.67 1.81 -1.26 -2.15 118.95 120.60 1pcq s ARG 9 Ca 0.00 0.45 0.05 0.00 -1.72 0.00 0.00 55.73 54.50 1pcq s ARG 9 Cb 0.00 -3.08 -0.00 0.00 -0.45 0.00 0.00 34.95 31.41 1pcq s ARG 9 CO 0.00 0.58 -0.18 0.08 -0.68 0.00 0.00 175.30 175.11 1pcq s VAL 10 N -1.28 1.49 -0.27 3.52 1.01 0.97 -2.16 120.40 123.68 1pcq s VAL 10 Ca 0.31 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1pcq s VAL 10 Cb -0.16 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1pcq s VAL 10 CO 0.17 0.43 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 1pcq s ILE 11 N -0.00 4.50 0.15 2.22 1.01 -0.57 -2.52 121.20 126.00 1pcq s ILE 11 Ca -0.03 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1pcq s ILE 11 Cb -0.11 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1pcq s ILE 11 CO 0.02 0.23 -0.16 0.68 0.00 0.00 0.00 174.94 175.71 1pcq s VAL 12 N 1.63 1.58 -0.12 2.92 -7.23 -0.68 -0.73 120.40 117.77 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 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 1pcq s VAL 12 CO 0.05 -0.39 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.66 1pcq s LYS 13 N -2.82 3.14 0.88 4.82 -2.85 -0.63 -0.32 119.74 121.96 1pcq s LYS 13 Ca 0.13 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 1pcq s LYS 13 Cb -0.05 -2.45 0.10 0.00 -2.06 0.00 0.00 37.83 33.37 1pcq s LYS 13 CO 0.05 0.12 0.98 -2.13 0.10 0.00 0.00 175.35 174.47 1pcq n ARG 14 N 3.72 -0.21 0.00 1.78 0.63 -1.26 -1.63 116.66 119.69 1pcq n ARG 14 Ca -0.19 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1pcq n ARG 14 Cb 0.52 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 -3.29 3.22 -3.16 -0.14 5.02 -0.59 -4.82 118.16 114.39 1pcq n LYS 15 Ca 0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1pcq n LYS 15 Cb 0.52 0.00 -0.05 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 4.35 4.35 -0.45 1.97 0.41 -1.26 -4.93 118.70 123.14 1pcq s GLU 16 Ca 0.00 0.66 -0.27 0.00 -0.41 0.00 0.00 54.97 54.95 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 0.04 1.98 0.08 -0.49 0.00 0.00 175.26 176.87 1pcq s VAL 17 N 0.96 3.29 -1.00 2.63 1.01 -1.26 -3.65 120.40 122.39 1pcq s VAL 17 Ca 0.31 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1pcq s VAL 17 Cb -0.16 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1pcq s VAL 17 CO 0.13 -0.46 0.68 -0.62 0.00 0.00 0.00 175.10 174.83 1pcq n GLU 18 N 8.84 -1.08 -1.60 2.72 1.02 -1.26 -4.69 120.64 124.59 1pcq n GLU 18 Ca 0.25 0.58 -0.62 0.00 -0.02 0.00 0.00 57.16 57.35 1pcq n GLU 18 Cb 0.50 -3.17 -0.10 0.00 -0.02 0.00 0.00 31.44 28.65 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 -3.57 0.08 -1.84 2.62 -1.04 -1.24 -4.63 114.28 104.66 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 68.30 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 4.11 1.95 0.00 -2.82 3.01 -1.26 -3.65 119.74 121.08 1pcq s LYS 20 Ca 1.08 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.58 1pcq s LYS 20 Cb -1.36 -5.04 0.00 0.00 -1.01 0.00 0.00 37.83 30.42 1pcq s LYS 20 CO 0.72 -4.39 0.00 -1.13 0.51 0.00 0.00 175.35 171.06 1pcq n SER 21 N 16.66 0.00 -4.58 2.83 3.41 -1.24 -4.70 113.62 126.01 1pcq n SER 21 Ca 0.43 -0.12 -0.48 0.00 -0.26 0.00 0.00 58.87 58.44 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 -0.74 -0.78 7.33 0.00 -1.24 -1.78 120.51 123.29 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 17.46 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 1.93 0.70 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 -2.54 1.26 0.09 -0.02 0.00 -0.73 -4.65 105.19 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 1.39 0.00 0.00 0.00 173.32 174.71 1pcq n ILE 25 N 0.00 0.51 -2.02 -0.61 5.41 -1.26 -4.83 119.36 116.56 1pcq n ILE 25 Ca 0.00 -0.46 -0.42 0.00 1.00 0.00 0.00 62.75 62.87 1pcq n ILE 25 Cb 0.00 -0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1pcq n ILE 25 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1pcq s VAL 26 N -3.31 2.87 -1.02 1.39 1.01 -1.26 -4.92 120.40 115.16 1pcq s VAL 26 Ca 0.01 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 1pcq s VAL 26 Cb 0.11 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1pcq s VAL 26 CO 0.78 0.05 1.28 -0.22 0.00 0.00 0.00 175.10 176.99 1pcq s LEU 27 N 1.10 4.67 -0.47 3.92 0.20 -1.26 -3.61 118.68 123.23 1pcq s LEU 27 Ca 0.68 -2.12 -0.27 0.00 0.69 0.00 0.00 54.13 53.12 1pcq s LEU 27 Cb -0.41 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.85 1pcq s LEU 27 CO 0.31 -1.10 2.18 0.28 -0.29 0.00 0.00 176.35 177.73 1pcq s THR 28 N 3.05 3.14 0.63 3.68 -1.32 -1.26 -4.94 115.64 118.61 1pcq s THR 28 Ca 0.38 0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.79 1pcq s THR 28 Cb -0.03 -3.31 -0.02 0.00 -1.51 0.00 0.00 72.50 67.63 1pcq s THR 28 CO -0.07 -0.28 1.20 -0.83 -2.21 0.00 0.00 174.62 172.44 1pcq s GLY 29 N 10.03 2.63 -0.52 6.08 0.00 -1.26 -4.70 107.32 119.58 1pcq s GLY 29 Ca 0.89 0.96 -0.33 0.00 0.00 0.00 0.00 44.72 46.23 1pcq s GLY 29 CO 0.27 1.36 2.33 -1.26 0.00 0.00 0.00 173.10 175.79 1pcq n SER 30 N -1.87 1.66 -2.08 1.64 2.88 -1.26 -4.80 113.62 109.79 1pcq n SER 30 Ca 0.13 0.22 -0.21 0.00 -1.33 0.00 0.00 58.87 57.68 1pcq n SER 30 Cb 0.50 -1.22 0.19 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 10.90 5.42 -2.74 -1.46 0.00 -1.26 -4.93 120.51 126.43 1pcq n ALA 31 Ca 0.47 -2.92 -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 -1.13 -3.11 -3.84 0.00 0.00 -1.26 -5.09 120.51 106.09 1pcq n ALA 32 Ca 0.56 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.93 1pcq n ALA 32 Cb 1.59 -3.07 0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.32 -1.20 0.12 0.00 0.00 -1.26 -5.20 121.76 111.89 1pcq s ALA 33 Ca 0.19 -0.47 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 0.73 -1.03 0.06 1.17 0.00 0.00 0.00 175.76 176.68 1pcq n LYS 34 N -0.59 0.63 -4.38 0.00 3.00 -1.26 -4.84 118.16 110.73 1pcq n LYS 34 Ca -0.06 -1.03 -0.34 0.00 -0.00 0.00 0.00 58.31 56.89 1pcq n LYS 34 Cb 0.60 0.64 -0.09 0.00 0.00 0.00 0.00 35.03 36.17 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 -1.74 5.09 0.00 3.14 0.15 -1.26 -4.40 113.70 114.68 1pcq s SER 35 Ca 0.08 0.05 0.17 0.00 0.70 0.00 0.00 55.95 56.95 1pcq s SER 35 Cb 0.00 -1.37 0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1pcq s SER 35 CO 0.06 0.33 0.95 0.35 1.20 0.00 0.00 173.24 176.13 1pcq n THR 36 N 1.84 0.00 -3.77 6.45 -2.24 -1.26 -4.88 114.28 110.42 1pcq n THR 36 Ca -0.17 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 1pcq n THR 36 Cb 0.53 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.98 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 -1.77 3.55 0.24 -0.78 3.00 -1.26 -2.27 118.95 119.65 1pcq s ARG 37 Ca 0.17 -0.22 -0.22 0.00 0.00 0.00 0.00 55.73 55.45 1pcq s ARG 37 Cb 0.14 -2.92 0.04 0.00 0.00 0.00 0.00 34.95 32.21 1pcq s ARG 37 CO 0.34 0.52 0.71 0.20 0.00 0.00 0.00 175.30 177.07 1pcq s GLY 38 N -2.47 -0.24 -0.06 -3.53 0.00 -0.58 -1.54 107.32 98.90 1pcq s GLY 38 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1pcq s GLY 38 CO 0.26 -0.01 -0.16 1.85 0.00 0.00 0.00 173.10 175.04 1pcq s GLU 39 N -3.82 2.62 0.17 2.90 2.12 -0.65 -0.62 118.70 121.43 1pcq s GLU 39 Ca 0.08 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 1pcq s GLU 39 Cb -0.04 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.89 1pcq s GLU 39 CO 0.01 0.53 1.13 0.08 -0.54 0.00 0.00 175.26 176.48 1pcq s VAL 40 N -0.50 3.79 -0.02 3.70 1.01 -0.82 -1.61 120.40 125.95 1pcq s VAL 40 Ca 0.07 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1pcq s VAL 40 Cb -0.12 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1pcq s VAL 40 CO 0.01 0.25 -0.01 0.18 0.00 0.00 0.00 175.10 175.54 1pcq n LEU 41 N 2.49 1.87 -3.66 3.92 4.77 0.09 -2.44 117.00 124.04 1pcq n LEU 41 Ca 0.03 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1pcq n LEU 41 Cb 0.46 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1pcq n LEU 41 CO 0.54 0.35 0.22 0.00 -1.33 0.00 0.00 177.39 177.17 1pcq s ALA 42 N -2.04 -1.28 -0.03 -1.18 0.00 -1.21 -4.87 121.76 111.15 1pcq s ALA 42 Ca -0.02 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1pcq s ALA 42 Cb 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1pcq s ALA 42 CO 0.05 -0.29 -0.09 0.08 0.00 0.00 0.00 175.76 175.52 1pcq s VAL 43 N -0.64 0.77 1.03 0.00 1.01 -1.26 -1.51 120.40 119.79 1pcq s VAL 43 Ca -0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1pcq s VAL 43 Cb -0.03 -0.69 0.22 0.00 0.00 0.00 0.00 36.38 35.87 1pcq s VAL 43 CO 0.04 0.25 1.25 -0.83 0.00 0.00 0.00 175.10 175.81 1pcq s GLY 44 N 0.30 1.71 0.06 4.51 0.00 -0.92 -4.78 107.32 108.21 1pcq s GLY 44 Ca -0.05 -1.08 -0.32 0.00 0.00 0.00 0.00 44.72 43.26 1pcq s GLY 44 CO 0.01 -0.30 1.49 3.43 0.00 0.00 0.00 173.10 177.73 1pcq h ASN 45 N -1.89 -1.08 0.00 1.64 2.35 -1.89 -3.42 115.58 111.28 1pcq h ASN 45 Ca -0.45 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1pcq h ASN 45 Cb 1.26 0.31 0.00 0.00 0.05 0.00 0.00 38.32 39.94 1pcq h ASN 45 CO 0.39 -0.67 0.00 0.61 -1.65 0.00 0.00 177.43 176.11 1pcq n GLY 46 N -1.55 -2.35 3.76 2.83 0.00 -1.26 -3.58 105.19 103.04 1pcq n GLY 46 Ca -0.13 -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 -1.98 4.46 -0.03 1.61 3.52 -1.18 -3.08 118.95 122.27 1pcq s ARG 47 Ca 0.00 2.04 0.10 0.00 -0.13 0.00 0.00 55.73 57.75 1pcq s ARG 47 Cb 0.00 -3.13 -0.23 0.00 -1.56 0.00 0.00 34.95 30.02 1pcq s ARG 47 CO 0.00 -0.06 0.72 0.82 -0.81 0.00 0.00 175.30 175.97 1pcq h ILE 48 N 3.18 0.94 -1.71 4.11 2.04 -1.92 -3.18 117.51 120.98 1pcq h ILE 48 Ca -0.47 -2.76 -0.57 0.00 1.00 0.00 0.00 64.86 62.05 1pcq h ILE 48 Cb 1.22 2.48 0.16 0.00 -0.74 0.00 0.00 36.82 39.94 1pcq h ILE 48 CO 0.68 0.58 -0.98 0.18 0.00 0.00 0.00 178.15 178.61 1pcq n LEU 49 N -3.12 -3.04 0.00 1.44 4.77 -1.26 -3.04 117.00 112.75 1pcq n LEU 49 Ca -0.16 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1pcq n LEU 49 Cb 1.04 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1pcq n LEU 49 CO 0.45 -4.18 0.00 1.21 -1.33 0.00 0.00 177.39 173.54 1pcq n GLU 50 N 1.32 0.00 0.00 3.23 4.07 -1.26 -4.63 120.64 123.37 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 0.40 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 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 -2.19 4.31 5.15 -1.17 -4.90 115.26 116.46 1pcq n ASN 51 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 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 -0.17 6.35 8.20 0.00 -1.26 -4.65 105.19 113.65 1pcq n GLY 52 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 4.02 0.00 -3.43 1.61 4.71 -1.26 -4.62 120.64 121.67 1pcq n GLU 53 Ca 0.30 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.34 1pcq n GLU 53 Cb -0.00 0.00 -0.09 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 -0.54 0.05 2.62 1.01 -1.26 -4.75 120.40 117.53 1pcq s VAL 54 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1pcq s VAL 54 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1pcq s VAL 54 CO 0.00 -0.10 1.05 -1.59 0.00 0.00 0.00 175.10 174.47 1pcq s LYS 55 N 2.50 4.55 0.80 2.72 -2.85 -1.20 -4.86 119.74 121.40 1pcq s LYS 55 Ca 0.09 1.56 -0.11 0.00 -1.00 0.00 0.00 55.97 56.51 1pcq s LYS 55 Cb -0.15 -3.40 0.08 0.00 -2.06 0.00 0.00 37.83 32.30 1pcq s LYS 55 CO -0.14 -0.06 1.12 -1.25 0.10 0.00 0.00 175.35 175.12 1pcq s PRO 56 N 0.74 1.91 0.57 1.78 0.04 -1.26 -3.10 135.00 135.68 1pcq s PRO 56 Ca 0.53 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 1pcq s PRO 56 Cb -0.25 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1pcq s PRO 56 CO 0.29 -1.94 0.94 -0.51 0.04 0.00 0.00 177.00 175.83 1pcq s LEU 57 N -5.96 3.35 -0.07 -3.56 1.43 -1.23 -4.90 118.68 107.73 1pcq s LEU 57 Ca 0.65 1.16 0.14 0.00 -1.03 0.00 0.00 54.13 55.05 1pcq s LEU 57 Cb -0.20 -4.14 0.53 0.00 0.03 0.00 0.00 46.19 42.41 1pcq s LEU 57 CO 0.54 -0.82 1.41 0.47 0.23 0.00 0.00 176.35 178.18 1pcq n ASP 58 N -2.58 3.58 -4.18 2.29 9.92 -1.26 -4.83 116.55 119.49 1pcq n ASP 58 Ca 0.04 -2.28 -0.33 0.00 -0.53 0.00 0.00 54.79 51.69 1pcq n ASP 58 Cb 0.55 -0.48 -0.16 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.69 2.30 0.30 2.53 -7.23 -1.26 -5.12 120.40 110.22 1pcq s VAL 59 Ca 0.38 -0.88 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 1pcq s VAL 59 Cb 0.24 -1.96 -0.07 0.00 0.56 0.00 0.00 36.38 35.15 1pcq s VAL 59 CO 0.19 0.53 0.64 -1.59 -0.31 0.00 0.00 175.10 174.56 1pcq s LYS 60 N 1.06 3.82 -0.35 4.82 -2.85 -1.26 -4.95 119.74 120.03 1pcq s LYS 60 Ca -0.01 0.36 -0.28 0.00 -1.00 0.00 0.00 55.97 55.05 1pcq s LYS 60 Cb -0.14 -2.54 -0.07 0.00 -2.06 0.00 0.00 37.83 33.01 1pcq s LYS 60 CO -0.06 0.19 2.30 0.28 0.10 0.00 0.00 175.35 178.17 1pcq n VAL 61 N -0.55 0.17 0.00 1.79 0.31 -1.26 -2.99 118.33 115.79 1pcq n VAL 61 Ca 0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1pcq n VAL 61 Cb 0.53 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 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 5.96 1.82 3.83 2.92 0.00 -1.02 -4.97 105.19 113.73 1pcq n GLY 62 Ca 0.35 0.00 -0.34 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 -1.93 6.90 -0.44 1.61 1.01 -1.16 -4.75 116.67 117.91 1pcq s ASP 63 Ca 0.00 1.44 -0.23 0.00 0.71 0.00 0.00 52.55 54.48 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 -0.19 0.75 -0.63 0.21 0.00 0.00 175.17 175.31 1pcq s ILE 64 N -1.92 4.70 0.08 0.77 1.01 -1.26 -1.95 121.20 122.63 1pcq s ILE 64 Ca 0.54 0.41 0.09 0.00 0.00 0.00 0.00 60.65 61.69 1pcq s ILE 64 Cb -0.12 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1pcq s ILE 64 CO 0.17 -0.66 -0.23 0.68 0.00 0.00 0.00 174.94 174.91 1pcq s VAL 65 N 3.17 2.50 -0.22 2.92 -7.23 0.21 -0.22 120.40 121.53 1pcq s VAL 65 Ca 0.28 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.89 1pcq s VAL 65 Cb -0.13 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1pcq s VAL 65 CO 0.21 0.22 0.14 -0.63 -0.31 0.00 0.00 175.10 174.74 1pcq s ILE 66 N -0.98 5.27 0.26 -0.62 1.01 -0.96 -1.52 121.20 123.65 1pcq s ILE 66 Ca 0.14 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.99 1pcq s ILE 66 Cb -0.10 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1pcq s ILE 66 CO 0.06 0.38 -0.04 0.72 0.00 0.00 0.00 174.94 176.06 1pcq s PHE 67 N 0.85 1.78 -0.25 3.97 -0.12 -0.96 -1.07 117.98 122.17 1pcq s PHE 67 Ca 0.07 -0.78 -0.15 0.00 -0.05 0.00 0.00 56.93 56.02 1pcq s PHE 67 Cb -0.13 -1.02 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 1pcq s PHE 67 CO 0.03 0.16 0.36 1.21 -0.05 0.00 0.00 175.22 176.93 1pcq s ASN 68 N -3.38 6.28 -1.39 1.98 3.84 -0.39 -4.84 114.94 117.03 1pcq s ASN 68 Ca 0.29 0.32 -0.09 0.00 0.21 0.00 0.00 52.86 53.58 1pcq s ASN 68 Cb 0.04 -2.21 -0.07 0.00 -0.55 0.00 0.00 41.25 38.46 1pcq s ASN 68 CO 0.10 -0.15 2.66 -0.67 -2.79 0.00 0.00 177.10 176.25 1pcq n ASP 69 N 5.10 7.30 -3.06 -4.21 -0.08 -1.26 -4.88 116.55 115.46 1pcq n ASP 69 Ca -0.09 -2.51 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1pcq n ASP 69 Cb 0.51 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.55 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 -0.17 0.14 0.27 0.00 -1.26 -4.95 105.19 102.90 1pcq n GLY 70 Ca 0.67 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 0.78 0.00 1.61 3.20 -2.04 -3.30 116.97 117.19 1pcq h TYR 71 Ca 0.00 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1pcq h TYR 71 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1pcq h TYR 71 CO 0.00 1.39 0.00 0.41 -1.64 0.00 0.00 178.16 178.32 1pcq n GLY 72 N 1.52 -0.50 3.64 1.82 0.00 -1.26 -4.58 105.19 105.82 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 -3.00 4.74 0.22 1.61 1.01 -1.24 -4.54 120.40 119.20 1pcq s VAL 73 Ca 0.00 1.69 0.09 0.00 0.00 0.00 0.00 61.98 63.77 1pcq s VAL 73 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1pcq s VAL 73 CO 0.00 -0.18 -0.07 -0.54 0.00 0.00 0.00 175.10 174.32 1pcq s LYS 74 N 3.07 2.12 -0.04 2.72 -0.14 -0.53 -4.94 119.74 122.00 1pcq s LYS 74 Ca 0.39 -1.37 0.04 0.00 -1.36 0.00 0.00 55.97 53.67 1pcq s LYS 74 Cb -0.15 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 1pcq s LYS 74 CO 0.08 0.40 -0.15 0.45 -0.76 0.00 0.00 175.35 175.38 1pcq s SER 75 N -3.23 4.00 0.15 2.83 0.15 -1.26 -1.03 113.70 115.32 1pcq s SER 75 Ca 0.28 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1pcq s SER 75 Cb -0.07 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 1pcq s SER 75 CO 0.17 0.34 0.09 -1.61 1.20 0.00 0.00 173.24 173.42 1pcq s GLU 76 N -0.81 1.01 -0.23 5.44 0.41 -0.52 -4.98 118.70 119.02 1pcq s GLU 76 Ca 0.12 -1.48 0.02 0.00 -0.41 0.00 0.00 54.97 53.22 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 0.00 175.26 174.55 1pcq s LYS 77 N -4.08 2.43 -0.16 1.61 2.47 -1.26 -2.37 119.74 118.38 1pcq s LYS 77 Ca 0.28 -1.13 0.00 0.00 -1.56 0.00 0.00 55.97 53.56 1pcq s LYS 77 Cb 0.07 -2.74 0.03 0.00 -1.46 0.00 0.00 37.83 33.73 1pcq s LYS 77 CO 0.05 -0.45 -0.11 0.42 0.16 0.00 0.00 175.35 175.42 1pcq s ILE 78 N 1.19 1.47 -1.65 5.43 1.09 -1.03 -4.69 121.20 123.02 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 -0.17 -1.48 0.00 0.00 -1.06 0.00 0.00 42.46 39.75 1pcq s ILE 78 CO -0.08 0.31 0.00 0.47 -0.10 0.00 0.00 174.94 175.54 1pcq n ASP 79 N 4.78 -4.53 -0.93 3.58 8.00 -1.26 -0.44 116.55 125.74 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 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -1.20 -2.75 -4.38 -2.24 2.85 -1.26 -5.07 115.26 101.20 1pcq n ASN 80 Ca -0.18 -0.05 -0.32 0.00 -0.11 0.00 0.00 54.58 53.92 1pcq n ASN 80 Cb 0.58 -1.88 -0.15 0.00 1.24 0.00 0.00 39.78 39.57 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 -4.61 2.69 -0.44 1.20 8.01 0.41 -5.09 118.70 120.86 1pcq s GLU 81 Ca 0.05 -0.77 -0.29 0.00 0.01 0.00 0.00 54.97 53.97 1pcq s GLU 81 Cb -0.02 -2.35 0.02 0.00 -4.31 0.00 0.00 34.13 27.47 1pcq s GLU 81 CO 0.06 0.46 1.33 -1.21 0.01 0.00 0.00 175.26 175.90 1pcq s GLU 82 N -0.31 3.60 0.26 1.61 0.41 -1.26 -2.46 118.70 120.56 1pcq s GLU 82 Ca 0.02 0.79 0.07 0.00 -0.41 0.00 0.00 54.97 55.44 1pcq s GLU 82 Cb -0.13 -3.99 -0.05 0.00 -1.78 0.00 0.00 34.13 28.17 1pcq s GLU 82 CO 0.02 -1.53 -0.08 0.14 -0.49 0.00 0.00 175.26 173.32 1pcq s VAL 83 N 5.17 1.71 0.02 2.63 -7.23 -1.00 -4.45 120.40 117.24 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 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1pcq s VAL 83 CO 0.32 -0.37 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.86 1pcq s LEU 84 N -3.42 2.11 -0.12 1.32 1.02 0.56 -1.45 118.68 118.71 1pcq s LEU 84 Ca 0.28 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1pcq s LEU 84 Cb 0.02 -0.57 0.02 0.00 0.02 0.00 0.00 46.19 45.69 1pcq s LEU 84 CO 0.11 0.06 -0.10 -0.63 0.02 0.00 0.00 176.35 175.81 1pcq s ILE 85 N -0.63 1.19 0.29 -0.59 1.01 -0.19 -1.68 121.20 120.59 1pcq s ILE 85 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1pcq s ILE 85 Cb -0.06 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1pcq s ILE 85 CO 0.00 0.39 0.37 0.00 0.00 0.00 0.00 174.94 175.70 1pcq s MET 86 N 1.55 1.65 0.48 2.79 0.23 -1.05 -1.46 119.30 123.50 1pcq s MET 86 Ca 0.03 -1.67 -0.01 0.00 -1.03 0.00 0.00 55.69 53.01 1pcq s MET 86 Cb -0.13 0.39 -0.00 0.00 -1.53 0.00 0.00 34.83 33.56 1pcq s MET 86 CO -0.08 -0.65 0.72 -1.54 -2.03 0.00 0.00 175.02 171.45 1pcq s SER 87 N -3.20 5.77 0.40 -1.18 1.04 -1.26 -0.02 113.70 115.26 1pcq s SER 87 Ca 0.32 0.38 0.13 0.00 0.48 0.00 0.00 55.95 57.26 1pcq s SER 87 Cb 0.02 -1.56 0.96 0.00 0.10 0.00 0.00 66.02 65.54 1pcq s SER 87 CO 0.17 -0.79 1.92 -0.08 0.98 0.00 0.00 173.24 175.44 1pcq h GLU 88 N 0.27 0.50 -0.87 4.02 4.81 -1.79 -1.56 114.58 119.96 1pcq h GLU 88 Ca -0.46 -0.03 0.18 0.00 -0.13 0.00 0.00 59.36 58.93 1pcq h GLU 88 Cb 1.25 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1pcq h GLU 88 CO 0.58 0.33 0.57 0.77 -0.73 0.00 0.00 179.01 180.54 1pcq h SER 89 N 0.52 0.43 1.17 1.04 0.02 -1.94 0.67 113.55 115.46 1pcq h SER 89 Ca 0.37 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1pcq h SER 89 Cb 0.72 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1pcq h SER 89 CO -0.13 0.19 -0.01 0.47 -1.14 0.00 0.00 176.83 176.21 1pcq n ASP 90 N -4.51 0.31 -4.76 3.07 8.00 -0.59 -4.76 116.55 113.31 1pcq n ASP 90 Ca 0.18 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.81 1pcq n ASP 90 Cb 0.63 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.04 4.91 -0.13 0.53 1.01 0.23 -1.27 121.20 123.44 1pcq s ILE 91 Ca 0.13 1.27 0.06 0.00 0.00 0.00 0.00 60.65 62.10 1pcq s ILE 91 Cb 0.16 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 1pcq s ILE 91 CO 0.56 0.41 -0.04 0.18 0.00 0.00 0.00 174.94 176.04 1pcq n LEU 92 N 2.77 1.46 -3.82 2.97 4.77 -0.23 -4.97 117.00 119.94 1pcq n LEU 92 Ca -0.06 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1pcq n LEU 92 Cb 0.51 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1pcq n LEU 92 CO 0.44 0.50 0.51 0.00 -1.33 0.00 0.00 177.39 177.51 1pcq s ALA 93 N -2.28 -0.69 0.05 -1.18 0.00 -1.02 -5.01 121.76 111.63 1pcq s ALA 93 Ca -0.12 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1pcq s ALA 93 Cb 0.04 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1pcq s ALA 93 CO 0.40 -0.98 -0.18 0.42 0.00 0.00 0.00 175.76 175.42 1pcq s ILE 94 N -2.40 1.40 -0.52 0.00 1.01 -1.26 -2.27 121.20 117.16 1pcq s ILE 94 Ca 0.16 -1.19 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1pcq s ILE 94 Cb -0.05 -1.26 0.10 0.00 0.01 0.00 0.00 42.46 41.26 1pcq s ILE 94 CO 0.12 0.04 0.48 -0.69 0.00 0.00 0.00 174.94 174.89 1pcq s VAL 95 N -0.93 5.18 -0.09 2.92 1.01 0.70 -4.94 120.40 124.25 1pcq s VAL 95 Ca 0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 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 -0.77 -0.03 -1.61 0.00 0.00 0.00 175.10 172.71 1pcq s GLU 96 N 1.74 2.97 0.00 2.72 2.02 -1.26 -4.57 118.70 122.32 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 0.63 0.00 0.00 0.02 0.00 0.00 175.26 175.96