#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 6.92 0.66 7.83 4.22 -1.26 -4.77 114.94 128.54 1pcq s ASN 2 Ca 0.00 1.61 -0.04 0.00 -2.14 0.00 0.00 52.86 52.29 1pcq s ASN 2 Cb 0.00 -2.51 0.05 0.00 1.28 0.00 0.00 41.25 40.08 1pcq s ASN 2 CO 0.00 -0.31 0.95 0.27 -2.04 0.00 0.00 177.10 175.96 1pcq s ILE 3 N -2.11 2.38 -0.31 0.54 -5.25 -1.26 -5.10 121.20 110.09 1pcq s ILE 3 Ca 0.60 -0.38 0.01 0.00 -0.99 0.00 0.00 60.65 59.88 1pcq s ILE 3 Cb -0.10 -3.00 0.14 0.00 2.95 0.00 0.00 42.46 42.46 1pcq s ILE 3 CO 0.14 0.00 0.33 -0.60 -1.79 0.00 0.00 174.94 173.02 1pcq s ARG 4 N -5.11 0.40 0.54 0.37 6.06 -1.26 -5.00 118.95 114.95 1pcq s ARG 4 Ca 0.59 -0.24 -0.19 0.00 -2.50 0.00 0.00 55.73 53.39 1pcq s ARG 4 Cb -0.11 -0.61 -0.06 0.00 0.06 0.00 0.00 34.95 34.23 1pcq s ARG 4 CO 0.43 -1.06 1.11 -1.25 -2.50 0.00 0.00 175.30 172.03 1pcq s PRO 5 N 2.20 3.42 -1.01 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 32.64 1pcq s PRO 5 CO -0.27 -0.79 0.98 -1.17 0.04 0.00 0.00 177.00 175.79 1pcq s LEU 6 N -3.78 6.31 0.00 -3.56 1.98 -1.26 -4.26 118.68 114.11 1pcq s LEU 6 Ca 0.72 -3.40 0.00 0.00 -2.89 0.00 0.00 54.13 48.56 1pcq s LEU 6 Cb -0.23 -2.16 0.00 0.00 0.66 0.00 0.00 46.19 44.46 1pcq s LEU 6 CO 0.26 -0.34 0.00 0.00 -1.89 0.00 0.00 176.35 174.38 1pcq n HIS 7 N 2.95 0.00 0.00 5.38 1.44 -1.26 -4.17 115.22 119.56 1pcq n HIS 7 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1pcq n HIS 7 Cb 0.41 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.03 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 0.76 0.00 -4.83 4.39 2.03 -1.17 -4.74 116.55 112.99 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 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.14 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 3.99 -0.05 -0.67 1.81 -1.26 -2.09 118.95 120.68 1pcq s ARG 9 Ca 0.00 0.49 0.05 0.00 -1.72 0.00 0.00 55.73 54.55 1pcq s ARG 9 Cb 0.00 -3.15 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1pcq s ARG 9 CO 0.00 0.63 -0.20 0.08 -0.68 0.00 0.00 175.30 175.13 1pcq s VAL 10 N -1.19 1.63 -0.27 3.52 1.01 0.10 -2.13 120.40 123.08 1pcq s VAL 10 Ca 0.28 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1pcq s VAL 10 Cb -0.17 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1pcq s VAL 10 CO 0.16 0.46 0.10 -0.63 0.00 0.00 0.00 175.10 175.20 1pcq s ILE 11 N 0.01 4.49 0.14 2.22 1.01 -0.60 -2.46 121.20 126.02 1pcq s ILE 11 Ca -0.05 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1pcq s ILE 11 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1pcq s ILE 11 CO 0.03 0.25 -0.15 0.68 0.00 0.00 0.00 174.94 175.76 1pcq s VAL 12 N 1.63 1.47 -0.12 2.92 -7.23 -0.64 -0.59 120.40 117.84 1pcq s VAL 12 Ca 0.06 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1pcq s VAL 12 Cb -0.16 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1pcq s VAL 12 CO 0.05 -0.44 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.60 1pcq s LYS 13 N -2.91 3.12 0.86 4.82 -2.85 -0.67 -0.21 119.74 121.91 1pcq s LYS 13 Ca 0.13 -0.83 -0.12 0.00 -1.00 0.00 0.00 55.97 54.15 1pcq s LYS 13 Cb -0.04 -2.41 0.10 0.00 -2.06 0.00 0.00 37.83 33.41 1pcq s LYS 13 CO 0.04 0.14 1.05 -2.13 0.10 0.00 0.00 175.35 174.55 1pcq n ARG 14 N 3.66 -0.11 0.00 1.78 0.63 -1.26 -1.66 116.66 119.69 1pcq n ARG 14 Ca -0.19 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1pcq n ARG 14 Cb 0.53 -2.32 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 -3.33 3.22 -3.18 -0.14 5.02 -0.63 -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 4.19 4.34 -0.45 1.97 0.41 -1.26 -4.94 118.70 122.96 1pcq s GLU 16 Ca 0.00 0.62 -0.27 0.00 -0.41 0.00 0.00 54.97 54.91 1pcq s GLU 16 Cb 0.00 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 1pcq s GLU 16 CO 0.00 0.03 2.01 0.08 -0.49 0.00 0.00 175.26 176.89 1pcq s VAL 17 N 0.99 3.27 -0.99 2.63 1.01 -1.26 -3.63 120.40 122.42 1pcq s VAL 17 Ca 0.30 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.36 1pcq s VAL 17 Cb -0.16 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1pcq s VAL 17 CO 0.13 -0.45 0.69 -0.62 0.00 0.00 0.00 175.10 174.85 1pcq n GLU 18 N 8.87 -1.11 -1.58 2.72 1.02 -1.26 -4.69 120.64 124.62 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 -3.27 -0.10 0.00 -0.02 0.00 0.00 31.44 28.56 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 -3.53 0.09 -1.82 2.62 -1.04 -1.24 -4.63 114.28 104.73 1pcq n THR 19 Ca -0.17 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1pcq n THR 19 Cb 0.61 -0.78 -0.08 0.00 -1.82 0.00 0.00 70.33 68.26 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 4.25 1.91 0.00 -2.82 3.01 -1.26 -3.64 119.74 121.18 1pcq s LYS 20 Ca 1.08 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 1pcq s LYS 20 Cb -1.34 -5.04 0.00 0.00 -1.01 0.00 0.00 37.83 30.45 1pcq s LYS 20 CO 0.71 -4.45 0.00 -1.13 0.51 0.00 0.00 175.35 170.99 1pcq n SER 21 N 16.84 0.00 -4.58 2.83 3.41 -1.24 -4.70 113.62 126.18 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 -0.65 -0.78 7.33 0.00 -1.24 -1.79 120.51 123.38 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 -2.03 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 1.94 0.70 0.00 0.00 0.00 -1.26 -4.46 105.19 102.11 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 1.24 0.09 -0.02 0.00 -0.74 -4.65 105.19 98.58 1pcq n GLY 24 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 0.50 -2.03 -0.61 5.41 -1.26 -4.83 119.36 116.55 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 2.89 -1.02 1.39 1.01 -1.26 -4.92 120.40 115.18 1pcq s VAL 26 Ca 0.01 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 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 0.78 0.05 1.28 -0.22 0.00 0.00 0.00 175.10 176.99 1pcq s LEU 27 N 1.13 4.69 -0.47 3.92 0.20 -1.26 -3.62 118.68 123.27 1pcq s LEU 27 Ca 0.68 -2.13 -0.27 0.00 0.69 0.00 0.00 54.13 53.11 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 -1.10 2.19 0.28 -0.29 0.00 0.00 176.35 177.74 1pcq s THR 28 N 3.01 3.13 0.62 3.68 -1.32 -1.26 -4.94 115.64 118.56 1pcq s THR 28 Ca 0.38 0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.78 1pcq s THR 28 Cb -0.03 -3.30 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 1pcq s THR 28 CO -0.07 -0.27 1.21 -0.83 -2.21 0.00 0.00 174.62 172.45 1pcq s GLY 29 N 10.12 2.69 -0.55 6.08 0.00 -1.26 -4.70 107.32 119.69 1pcq s GLY 29 Ca 0.89 1.00 -0.33 0.00 0.00 0.00 0.00 44.72 46.28 1pcq s GLY 29 CO 0.27 1.40 2.35 -1.26 0.00 0.00 0.00 173.10 175.85 1pcq n SER 30 N -1.79 1.59 -2.09 1.64 2.88 -1.26 -4.80 113.62 109.78 1pcq n SER 30 Ca 0.14 0.20 -0.22 0.00 -1.33 0.00 0.00 58.87 57.66 1pcq n SER 30 Cb 0.50 -1.21 0.18 0.00 -0.75 0.00 0.00 64.21 62.93 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 10.99 5.45 -2.72 -1.46 0.00 -1.26 -4.93 120.51 126.58 1pcq n ALA 31 Ca 0.48 -2.94 -0.06 0.00 0.00 0.00 0.00 53.44 50.92 1pcq n ALA 31 Cb 0.22 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.15 -3.10 -3.83 0.00 0.00 -1.26 -5.09 120.51 106.08 1pcq n ALA 32 Ca 0.57 0.98 -0.06 0.00 0.00 0.00 0.00 53.44 54.92 1pcq n ALA 32 Cb 1.59 -3.04 0.01 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.30 -1.16 0.12 0.00 0.00 -1.26 -5.20 121.76 111.96 1pcq s ALA 33 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.68 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 -1.02 0.06 1.17 0.00 0.00 0.00 175.76 176.67 1pcq n LYS 34 N -0.57 0.66 -4.38 0.00 3.00 -1.26 -4.84 118.16 110.77 1pcq n LYS 34 Ca -0.06 -1.08 -0.34 0.00 -0.00 0.00 0.00 58.31 56.83 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 -1.78 5.10 0.00 3.14 0.15 -1.26 -4.41 113.70 114.65 1pcq s SER 35 Ca 0.08 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.97 1pcq s SER 35 Cb 0.00 -1.38 0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1pcq s SER 35 CO 0.06 0.34 0.96 0.35 1.20 0.00 0.00 173.24 176.14 1pcq n THR 36 N 1.87 0.00 -3.79 6.45 -2.24 -1.26 -4.88 114.28 110.44 1pcq n THR 36 Ca -0.17 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.92 1pcq n THR 36 Cb 0.53 1.26 -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 -1.83 3.53 0.23 -0.78 3.00 -1.26 -2.30 118.95 119.53 1pcq s ARG 37 Ca 0.17 -0.27 -0.22 0.00 0.00 0.00 0.00 55.73 55.40 1pcq s ARG 37 Cb 0.14 -2.93 0.04 0.00 0.00 0.00 0.00 34.95 32.20 1pcq s ARG 37 CO 0.36 0.52 0.72 0.20 0.00 0.00 0.00 175.30 177.10 1pcq s GLY 38 N -2.55 -0.25 -0.06 -3.53 0.00 -0.57 -1.60 107.32 98.75 1pcq s GLY 38 Ca 0.38 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1pcq s GLY 38 CO 0.27 -0.00 -0.16 1.85 0.00 0.00 0.00 173.10 175.06 1pcq s GLU 39 N -3.79 2.66 0.17 2.90 2.12 -0.66 -0.68 118.70 121.42 1pcq s GLU 39 Ca 0.08 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 1pcq s GLU 39 Cb -0.04 -2.39 -0.08 0.00 0.26 0.00 0.00 34.13 31.88 1pcq s GLU 39 CO 0.01 0.52 1.14 0.08 -0.54 0.00 0.00 175.26 176.47 1pcq s VAL 40 N -0.47 3.77 -0.02 3.70 1.01 -0.85 -1.66 120.40 125.88 1pcq s VAL 40 Ca 0.06 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1pcq s VAL 40 Cb -0.12 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1pcq s VAL 40 CO 0.02 0.24 -0.01 0.18 0.00 0.00 0.00 175.10 175.52 1pcq n LEU 41 N 2.53 1.93 -3.68 3.92 4.77 0.24 -2.44 117.00 124.28 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 41.42 1pcq n LEU 41 CO 0.55 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 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1pcq s ALA 42 Cb 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.83 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 -0.66 0.76 1.01 0.00 1.01 -1.26 -1.56 120.40 119.70 1pcq s VAL 43 Ca -0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1pcq s VAL 43 Cb -0.03 -0.68 0.21 0.00 0.00 0.00 0.00 36.38 35.87 1pcq s VAL 43 CO 0.04 0.24 1.25 -0.83 0.00 0.00 0.00 175.10 175.81 1pcq s GLY 44 N 0.28 1.71 0.06 4.51 0.00 -0.90 -4.77 107.32 108.21 1pcq s GLY 44 Ca -0.04 -1.07 -0.32 0.00 0.00 0.00 0.00 44.72 43.28 1pcq s GLY 44 CO 0.01 -0.30 1.49 3.43 0.00 0.00 0.00 173.10 177.72 1pcq h ASN 45 N -1.84 -1.07 0.00 1.64 2.35 -1.89 -3.42 115.58 111.35 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 0.40 -0.66 0.00 0.61 -1.65 0.00 0.00 177.43 176.12 1pcq n GLY 46 N -1.55 -2.30 3.76 2.83 0.00 -1.26 -3.58 105.19 103.10 1pcq n GLY 46 Ca -0.13 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.95 4.45 -0.02 1.61 3.52 -1.18 -3.06 118.95 122.31 1pcq s ARG 47 Ca 0.00 2.07 0.12 0.00 -0.13 0.00 0.00 55.73 57.79 1pcq s ARG 47 Cb 0.00 -3.13 -0.23 0.00 -1.56 0.00 0.00 34.95 30.04 1pcq s ARG 47 CO 0.00 -0.08 0.73 0.82 -0.81 0.00 0.00 175.30 175.97 1pcq h ILE 48 N 3.17 0.94 -1.74 4.11 2.04 -1.92 -3.18 117.51 120.93 1pcq h ILE 48 Ca -0.48 -2.78 -0.59 0.00 1.00 0.00 0.00 64.86 62.01 1pcq h ILE 48 Cb 1.22 2.47 0.16 0.00 -0.74 0.00 0.00 36.82 39.93 1pcq h ILE 48 CO 0.68 0.54 -0.99 0.18 0.00 0.00 0.00 178.15 178.56 1pcq n LEU 49 N -3.08 -3.06 0.00 1.44 4.77 -1.26 -3.05 117.00 112.76 1pcq n LEU 49 Ca -0.15 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1pcq n LEU 49 Cb 1.04 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1pcq n LEU 49 CO 0.45 -4.26 0.00 1.21 -1.33 0.00 0.00 177.39 173.46 1pcq n GLU 50 N 1.35 0.00 0.00 3.23 4.07 -1.26 -4.63 120.64 123.39 1pcq n GLU 50 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1pcq n GLU 50 Cb 0.41 -2.85 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 -2.06 4.31 5.15 -1.17 -4.90 115.26 116.59 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 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 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 -0.15 6.15 8.20 0.00 -1.26 -4.66 105.19 113.47 1pcq n GLY 52 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 3.77 0.00 -3.45 1.61 4.71 -1.26 -4.62 120.64 121.40 1pcq n GLU 53 Ca 0.28 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.31 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 -0.51 0.04 2.62 1.01 -1.26 -4.75 120.40 117.55 1pcq s VAL 54 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1pcq s VAL 54 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1pcq s VAL 54 CO 0.00 -0.10 1.06 -1.59 0.00 0.00 0.00 175.10 174.47 1pcq s LYS 55 N 2.48 4.53 0.83 2.72 -2.85 -1.20 -4.86 119.74 121.38 1pcq s LYS 55 Ca 0.09 1.56 -0.10 0.00 -1.00 0.00 0.00 55.97 56.51 1pcq s LYS 55 Cb -0.15 -3.40 0.09 0.00 -2.06 0.00 0.00 37.83 32.31 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 0.86 1.77 0.54 1.78 0.04 -1.26 -3.08 135.00 135.66 1pcq s PRO 56 Ca 0.54 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1pcq s PRO 56 Cb -0.25 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1pcq s PRO 56 CO 0.29 -2.03 0.89 -0.51 0.04 0.00 0.00 177.00 175.68 1pcq s LEU 57 N -6.16 3.45 -0.07 -3.56 1.43 -1.23 -4.89 118.68 107.65 1pcq s LEU 57 Ca 0.64 1.15 0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1pcq s LEU 57 Cb -0.20 -4.15 0.50 0.00 0.03 0.00 0.00 46.19 42.38 1pcq s LEU 57 CO 0.56 -0.70 1.37 0.47 0.23 0.00 0.00 176.35 178.28 1pcq n ASP 58 N -2.46 3.40 -4.18 2.29 9.92 -1.26 -4.82 116.55 119.44 1pcq n ASP 58 Ca 0.03 -2.27 -0.33 0.00 -0.53 0.00 0.00 54.79 51.69 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 -1.69 2.36 0.31 2.53 -7.23 -1.26 -5.12 120.40 110.29 1pcq s VAL 59 Ca 0.36 -0.85 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 1pcq s VAL 59 Cb 0.23 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.10 1pcq s VAL 59 CO 0.18 0.52 0.65 -1.59 -0.31 0.00 0.00 175.10 174.55 1pcq s LYS 60 N 1.13 3.81 -0.34 4.82 -2.85 -1.26 -4.95 119.74 120.10 1pcq s LYS 60 Ca 0.01 0.37 -0.28 0.00 -1.00 0.00 0.00 55.97 55.07 1pcq s LYS 60 Cb -0.14 -2.53 -0.07 0.00 -2.06 0.00 0.00 37.83 33.03 1pcq s LYS 60 CO -0.07 0.17 2.30 0.28 0.10 0.00 0.00 175.35 178.13 1pcq n VAL 61 N -0.63 0.18 0.00 1.79 0.31 -1.26 -3.07 118.33 115.64 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 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 5.95 1.79 3.84 2.92 0.00 -1.02 -4.97 105.19 113.69 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 -1.93 6.86 -0.44 1.61 1.01 -1.17 -4.75 116.67 117.86 1pcq s ASP 63 Ca 0.00 1.43 -0.22 0.00 0.71 0.00 0.00 52.55 54.47 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 -0.23 0.72 -0.63 0.21 0.00 0.00 175.17 175.24 1pcq s ILE 64 N -2.00 4.73 0.08 0.77 1.01 -1.26 -2.00 121.20 122.53 1pcq s ILE 64 Ca 0.56 0.33 0.09 0.00 0.00 0.00 0.00 60.65 61.62 1pcq s ILE 64 Cb -0.11 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1pcq s ILE 64 CO 0.16 -0.64 -0.22 0.68 0.00 0.00 0.00 174.94 174.93 1pcq s VAL 65 N 3.07 2.53 -0.22 2.92 -7.23 0.14 -0.22 120.40 121.39 1pcq s VAL 65 Ca 0.27 -1.43 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 1pcq s VAL 65 Cb -0.13 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1pcq s VAL 65 CO 0.21 0.24 0.13 -0.63 -0.31 0.00 0.00 175.10 174.74 1pcq s ILE 66 N -0.97 5.29 0.25 -0.62 1.01 -0.95 -1.52 121.20 123.69 1pcq s ILE 66 Ca 0.14 0.15 0.05 0.00 0.00 0.00 0.00 60.65 61.00 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 0.40 -0.03 0.72 0.00 0.00 0.00 174.94 176.08 1pcq s PHE 67 N 0.70 1.74 -0.25 3.97 -0.12 -0.97 -1.21 117.98 121.83 1pcq s PHE 67 Ca 0.07 -0.81 -0.14 0.00 -0.05 0.00 0.00 56.93 55.99 1pcq s PHE 67 Cb -0.12 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.22 1pcq s PHE 67 CO 0.01 0.11 0.34 1.21 -0.05 0.00 0.00 175.22 176.85 1pcq s ASN 68 N -3.37 6.26 -1.42 1.98 3.84 -0.38 -4.84 114.94 117.01 1pcq s ASN 68 Ca 0.29 0.29 -0.09 0.00 0.21 0.00 0.00 52.86 53.56 1pcq s ASN 68 Cb 0.05 -2.20 -0.07 0.00 -0.55 0.00 0.00 41.25 38.48 1pcq s ASN 68 CO 0.10 -0.13 2.69 -0.67 -2.79 0.00 0.00 177.10 176.30 1pcq n ASP 69 N 5.06 7.42 -3.07 -4.21 -0.08 -1.26 -4.88 116.55 115.53 1pcq n ASP 69 Ca -0.09 -2.52 0.00 0.00 -1.51 0.00 0.00 54.79 50.67 1pcq n ASP 69 Cb 0.51 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.54 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 3.67 -0.10 0.14 0.27 0.00 -1.26 -4.95 105.19 102.96 1pcq n GLY 70 Ca 0.68 -1.52 -0.22 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 0.78 0.00 1.61 3.20 -2.04 -3.30 116.97 117.19 1pcq h TYR 71 Ca 0.00 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 61.32 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 1.42 0.00 0.41 -1.64 0.00 0.00 178.16 178.35 1pcq n GLY 72 N 1.62 -0.49 3.64 1.82 0.00 -1.26 -4.60 105.19 105.92 1pcq n GLY 72 Ca -0.15 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.95 4.73 0.22 1.61 1.01 -1.25 -4.54 120.40 119.23 1pcq s VAL 73 Ca 0.00 1.63 0.09 0.00 0.00 0.00 0.00 61.98 63.71 1pcq s VAL 73 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1pcq s VAL 73 CO 0.01 -0.21 -0.06 -0.54 0.00 0.00 0.00 175.10 174.30 1pcq s LYS 74 N 3.10 2.16 -0.04 2.72 -0.14 -0.57 -4.94 119.74 122.03 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 0.00 175.35 175.39 1pcq s SER 75 N -3.21 3.97 0.15 2.83 0.15 -1.26 -1.07 113.70 115.26 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 -0.08 -0.81 -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 0.00 173.24 173.43 1pcq s GLU 76 N -0.77 1.02 -0.23 5.44 0.41 -0.57 -4.98 118.70 119.02 1pcq s GLU 76 Ca 0.12 -1.49 0.02 0.00 -0.41 0.00 0.00 54.97 53.21 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 -0.31 -0.13 0.21 -0.49 0.00 0.00 175.26 174.55 1pcq s LYS 77 N -4.08 2.36 -0.17 1.61 2.47 -1.26 -2.36 119.74 118.30 1pcq s LYS 77 Ca 0.28 -1.15 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 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 -0.47 -0.12 0.42 0.16 0.00 0.00 175.35 175.39 1pcq s ILE 78 N 1.20 1.55 -1.70 5.43 1.09 -1.03 -4.69 121.20 123.04 1pcq s ILE 78 Ca -0.05 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.74 1pcq s ILE 78 Cb -0.18 -1.54 0.00 0.00 -1.06 0.00 0.00 42.46 39.68 1pcq s ILE 78 CO -0.07 0.33 0.00 0.47 -0.10 0.00 0.00 174.94 175.56 1pcq n ASP 79 N 4.75 -4.58 -0.87 3.58 8.00 -1.26 -0.38 116.55 125.79 1pcq n ASP 79 Ca -0.16 0.33 -0.06 0.00 0.71 0.00 0.00 54.79 55.61 1pcq n ASP 79 Cb 0.49 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 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 -1.18 -2.63 -4.36 -2.24 2.85 -1.26 -5.08 115.26 101.36 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 -1.75 -0.15 0.00 1.24 0.00 0.00 39.78 39.70 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 2.64 -0.44 1.20 8.01 0.49 -5.09 118.70 120.90 1pcq s GLU 81 Ca 0.05 -0.80 -0.29 0.00 0.01 0.00 0.00 54.97 53.95 1pcq s GLU 81 Cb -0.02 -2.31 0.02 0.00 -4.31 0.00 0.00 34.13 27.50 1pcq s GLU 81 CO 0.06 0.45 1.33 -1.21 0.01 0.00 0.00 175.26 175.90 1pcq s GLU 82 N -0.31 3.61 0.27 1.61 0.41 -1.26 -2.48 118.70 120.55 1pcq s GLU 82 Ca 0.02 0.81 0.07 0.00 -0.41 0.00 0.00 54.97 55.45 1pcq s GLU 82 Cb -0.13 -3.99 -0.06 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 0.00 175.26 173.33 1pcq s VAL 83 N 5.16 1.71 0.02 2.63 -7.23 -1.00 -4.45 120.40 117.24 1pcq s VAL 83 Ca 0.57 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1pcq s VAL 83 Cb -0.11 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1pcq s VAL 83 CO 0.32 -0.34 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.89 1pcq s LEU 84 N -3.43 2.12 -0.13 1.32 1.02 0.70 -1.50 118.68 118.77 1pcq s LEU 84 Ca 0.29 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 54.07 1pcq s LEU 84 Cb 0.03 -0.58 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 0.00 176.35 175.82 1pcq s ILE 85 N -0.64 1.20 0.28 -0.59 1.01 -0.24 -1.63 121.20 120.59 1pcq s ILE 85 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1pcq s ILE 85 Cb -0.07 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1pcq s ILE 85 CO 0.01 0.39 0.34 0.00 0.00 0.00 0.00 174.94 175.68 1pcq s MET 86 N 1.64 1.62 0.48 2.79 0.23 -1.03 -1.51 119.30 123.52 1pcq s MET 86 Ca 0.05 -1.68 -0.01 0.00 -1.03 0.00 0.00 55.69 53.02 1pcq s MET 86 Cb -0.13 0.38 -0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1pcq s MET 86 CO -0.09 -0.63 0.72 -1.54 -2.03 0.00 0.00 175.02 171.46 1pcq s SER 87 N -3.20 5.77 0.41 -1.18 1.04 -1.26 0.03 113.70 115.31 1pcq s SER 87 Ca 0.33 0.37 0.14 0.00 0.48 0.00 0.00 55.95 57.28 1pcq s SER 87 Cb 0.02 -1.55 1.00 0.00 0.10 0.00 0.00 66.02 65.58 1pcq s SER 87 CO 0.17 -0.79 1.90 -0.08 0.98 0.00 0.00 173.24 175.43 1pcq h GLU 88 N 0.27 0.47 -0.84 4.02 4.81 -1.78 -1.70 114.58 119.83 1pcq h GLU 88 Ca -0.46 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1pcq h GLU 88 Cb 1.25 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1pcq h GLU 88 CO 0.58 0.31 0.55 0.77 -0.73 0.00 0.00 179.01 180.49 1pcq h SER 89 N 0.48 0.44 1.13 1.04 0.02 -1.94 0.24 113.55 114.96 1pcq h SER 89 Ca 0.40 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1pcq h SER 89 Cb 0.85 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1pcq h SER 89 CO -0.14 0.21 0.00 0.47 -1.14 0.00 0.00 176.83 176.22 1pcq n ASP 90 N -4.50 0.24 -4.76 3.07 8.00 -0.64 -4.76 116.55 113.19 1pcq n ASP 90 Ca 0.17 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.81 1pcq n ASP 90 Cb 0.59 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.13 0.53 1.01 0.07 -1.24 121.20 123.35 1pcq s ILE 91 Ca 0.13 1.19 0.05 0.00 0.00 0.00 0.00 60.65 62.03 1pcq s ILE 91 Cb 0.17 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1pcq s ILE 91 CO 0.55 0.42 -0.05 0.18 0.00 0.00 0.00 174.94 176.04 1pcq n LEU 92 N 2.75 1.53 -3.83 2.97 4.77 -0.35 -4.97 117.00 119.87 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 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1pcq n LEU 92 CO 0.43 0.51 0.50 0.00 -1.33 0.00 0.00 177.39 177.51 1pcq s ALA 93 N -2.28 -0.68 0.05 -1.18 0.00 -1.05 -5.01 121.76 111.61 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 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1pcq s ALA 93 CO 0.39 -0.98 -0.17 0.42 0.00 0.00 0.00 175.76 175.42 1pcq s ILE 94 N -2.45 1.38 -0.51 0.00 1.01 -1.26 -2.25 121.20 117.11 1pcq s ILE 94 Ca 0.16 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 1pcq s ILE 94 Cb -0.05 -1.24 0.10 0.00 0.01 0.00 0.00 42.46 41.28 1pcq s ILE 94 CO 0.12 0.04 0.47 -0.69 0.00 0.00 0.00 174.94 174.87 1pcq s VAL 95 N -0.92 5.19 -0.09 2.92 1.01 0.70 -4.94 120.40 124.26 1pcq s VAL 95 Ca 0.04 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1pcq s VAL 95 Cb -0.09 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1pcq s VAL 95 CO 0.02 -0.76 -0.03 -1.61 0.00 0.00 0.00 175.10 172.72 1pcq s GLU 96 N 1.70 2.99 0.00 2.72 2.02 -1.26 -4.56 118.70 122.32 1pcq s GLU 96 Ca 0.04 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1pcq s GLU 96 Cb -0.27 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1pcq s GLU 96 CO 0.05 0.62 0.00 0.00 0.02 0.00 0.00 175.26 175.95