#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp s LEU 2 N 0.00 5.01 -0.29 -0.89 1.02 -1.26 -4.64 118.68 117.63 1sqp s LEU 2 Ca 0.00 -1.24 -0.16 0.00 0.02 0.00 0.00 54.13 52.75 1sqp s LEU 2 Cb 0.00 -2.36 0.17 0.00 0.02 0.00 0.00 46.19 44.03 1sqp s LEU 2 CO 0.00 -1.22 1.10 -0.55 0.02 0.00 0.00 176.35 175.70 1sqp s SER 3 N 3.59 -0.31 0.00 2.29 0.15 -1.26 -5.01 113.70 113.15 1sqp s SER 3 Ca 0.15 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1sqp s SER 3 Cb -0.21 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1sqp s SER 3 CO 0.08 -0.08 0.54 1.33 1.20 0.00 0.00 173.24 176.31 1sqp n VAL 4 N 3.44 0.00 -0.05 4.45 0.24 -1.26 -1.43 118.33 123.72 1sqp n VAL 4 Ca -0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1sqp n VAL 4 Cb 0.57 -0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 1sqp n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sqp n ALA 5 N -0.08 1.90 0.24 2.33 0.00 -1.26 -4.26 120.51 119.38 1sqp n ALA 5 Ca 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.14 1sqp n ALA 5 Cb 0.16 0.29 0.59 0.00 0.00 0.00 0.00 19.45 20.49 1sqp n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqp h ALA 6 N -0.08 1.10 -1.44 0.00 0.00 -1.74 -2.87 119.26 114.23 1sqp h ALA 6 Ca -0.23 -0.15 -0.78 0.00 0.00 0.00 0.00 54.91 53.74 1sqp h ALA 6 Cb 1.32 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.79 1sqp h ALA 6 CO -0.06 0.21 0.81 0.54 0.00 0.00 0.00 179.25 180.75 1sqp n ARG 7 N -3.44 5.09 -1.51 0.00 5.12 -0.51 -5.00 116.66 116.41 1sqp n ARG 7 Ca -0.01 -4.68 -0.30 0.00 -1.93 0.00 0.00 57.85 50.93 1sqp n ARG 7 Cb 0.35 -2.45 -0.18 0.00 -1.16 0.00 0.00 32.46 29.03 1sqp n ARG 7 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1sqp n SER 8 N 0.07 -0.32 0.00 0.55 2.88 -1.08 -4.34 113.62 111.38 1sqp n SER 8 Ca 0.43 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1sqp n SER 8 Cb 0.28 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1sqp n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqp n GLY 9 N 6.03 -1.90 3.84 0.46 0.00 -1.23 -4.16 105.19 108.23 1sqp n GLY 9 Ca 0.64 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.90 1sqp n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqp s PRO 10 N -0.62 1.42 0.27 1.61 0.05 -1.26 -1.25 135.00 135.22 1sqp s PRO 10 Ca 0.00 0.18 -0.26 0.00 0.05 0.00 0.00 61.00 60.98 1sqp s PRO 10 Cb 0.00 -1.88 -0.09 0.00 0.05 0.00 0.00 34.50 32.58 1sqp s PRO 10 CO 0.00 -1.98 0.89 -0.06 0.05 0.00 0.00 177.00 175.89 1sqp s PHE 11 N -3.42 3.76 -0.07 0.56 0.40 -1.26 -3.09 117.98 114.85 1sqp s PHE 11 Ca 0.64 1.72 -0.01 0.00 -0.60 0.00 0.00 56.93 58.68 1sqp s PHE 11 Cb -0.13 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.57 1sqp s PHE 11 CO 0.52 0.31 -0.01 0.00 0.70 0.00 0.00 175.22 176.74 1sqp s ALA 12 N -1.47 0.72 0.12 5.36 0.00 -1.26 -4.87 121.76 120.36 1sqp s ALA 12 Ca 0.46 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1sqp s ALA 12 Cb -0.20 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1sqp s ALA 12 CO 0.25 -0.42 0.34 -2.14 0.00 0.00 0.00 175.76 173.79 1sqp s PRO 13 N 1.87 3.59 -0.05 0.00 0.02 -1.26 -0.59 135.00 138.58 1sqp s PRO 13 Ca 0.04 -0.15 0.02 0.00 0.02 0.00 0.00 61.00 60.93 1sqp s PRO 13 Cb -0.12 -2.90 0.01 0.00 0.02 0.00 0.00 34.50 31.51 1sqp s PRO 13 CO -0.05 0.51 -0.08 0.08 -0.33 0.00 0.00 177.00 177.13 1sqp s VAL 14 N -1.60 0.80 0.15 3.83 1.01 -0.86 -4.97 120.40 118.77 1sqp s VAL 14 Ca 0.39 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.16 1sqp s VAL 14 Cb -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1sqp s VAL 14 CO 0.24 0.27 -0.23 -0.22 0.00 0.00 0.00 175.10 175.17 1sqp s LEU 15 N 0.63 2.38 0.10 3.92 1.98 -1.26 -2.52 118.68 123.91 1sqp s LEU 15 Ca -0.11 -0.80 -0.10 0.00 -2.89 0.00 0.00 54.13 50.24 1sqp s LEU 15 Cb -0.13 -1.08 0.00 0.00 0.66 0.00 0.00 46.19 45.64 1sqp s LEU 15 CO 0.02 0.10 0.23 -0.94 -1.89 0.00 0.00 176.35 173.86 1sqp s SER 16 N -2.36 0.06 0.01 3.68 1.04 -1.25 -5.04 113.70 109.85 1sqp s SER 16 Ca 0.15 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 1sqp s SER 16 Cb -0.09 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1sqp s SER 16 CO 0.07 -0.76 1.06 0.00 0.98 0.00 0.00 173.24 174.59 1sqp h ALA 17 N 2.68 -0.50 0.00 5.32 0.00 -2.02 -3.40 119.26 121.33 1sqp h ALA 17 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sqp h ALA 17 Cb 1.21 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1sqp h ALA 17 CO 0.54 -0.52 -1.46 0.25 0.00 0.00 0.00 179.25 178.06 1sqp n THR 18 N -2.85 0.17 -4.23 0.00 -2.24 -1.26 -4.99 114.28 98.88 1sqp n THR 18 Ca -0.01 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 1sqp n THR 18 Cb 0.04 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 1sqp n THR 18 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sqp s SER 19 N -4.42 4.61 0.71 3.42 0.15 -1.26 -5.05 113.70 111.84 1sqp s SER 19 Ca -0.02 -0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 1sqp s SER 19 Cb 0.13 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1sqp s SER 19 CO 0.85 0.19 1.21 0.00 1.20 0.00 0.00 173.24 176.70 1sqp s ARG 20 N -2.14 2.28 0.17 5.44 3.03 -1.26 -3.82 118.95 122.65 1sqp s ARG 20 Ca 0.22 1.79 -0.30 0.00 2.03 0.00 0.00 55.73 59.47 1sqp s ARG 20 Cb -0.11 -1.85 -0.07 0.00 -1.03 0.00 0.00 34.95 31.89 1sqp s ARG 20 CO 0.14 -1.74 1.05 0.20 -1.13 0.00 0.00 175.30 173.83 1sqp s GLY 21 N -1.94 2.92 0.26 3.88 0.00 -1.26 -4.74 107.32 106.44 1sqp s GLY 21 Ca 0.75 0.74 0.10 0.00 0.00 0.00 0.00 44.72 46.31 1sqp s GLY 21 CO 0.43 1.56 -0.05 0.14 0.00 0.00 0.00 173.10 175.18 1sqp s VAL 22 N -0.30 3.23 -0.00 1.40 1.01 -1.05 -4.96 120.40 119.73 1sqp s VAL 22 Ca 0.48 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.44 1sqp s VAL 22 Cb -0.28 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1sqp s VAL 22 CO 0.34 -0.37 0.03 0.00 0.00 0.00 0.00 175.10 175.10 1sqp s ALA 23 N -2.33 -0.06 0.31 5.51 0.00 -1.25 -2.03 121.76 121.91 1sqp s ALA 23 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1sqp s ALA 23 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1sqp s ALA 23 CO 0.19 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1sqp n GLY 24 N 2.22 -2.48 0.00 0.00 0.00 0.24 -4.86 105.19 100.31 1sqp n GLY 24 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1sqp n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp n ALA 25 N -3.07 0.59 -3.25 4.61 0.00 -1.18 -4.61 120.51 113.60 1sqp n ALA 25 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1sqp n ALA 25 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1sqp n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqp s LEU 26 N 0.00 -1.22 -0.03 0.00 1.02 -0.38 -4.78 118.68 113.29 1sqp s LEU 26 Ca 0.00 0.95 -0.02 0.00 0.02 0.00 0.00 54.13 55.07 1sqp s LEU 26 Cb 0.00 2.10 0.01 0.00 0.02 0.00 0.00 46.19 48.32 1sqp s LEU 26 CO 0.00 -0.23 0.05 -1.14 0.02 0.00 0.00 176.35 175.05 1sqp n ARG 27 N 5.42 -1.72 -0.86 1.70 0.63 -1.26 -3.48 116.66 117.09 1sqp n ARG 27 Ca -0.04 1.60 -0.34 0.00 -0.92 0.00 0.00 57.85 58.15 1sqp n ARG 27 Cb 0.51 -2.22 0.10 0.00 0.45 0.00 0.00 32.46 31.29 1sqp n ARG 27 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1sqp n PRO 28 N 0.62 -0.24 0.00 -0.14 -0.02 -1.26 -5.00 135.00 128.97 1sqp n PRO 28 Ca -0.08 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1sqp n PRO 28 Cb 0.13 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1sqp n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sqp n LEU 29 N 0.23 0.00 0.00 2.45 4.77 -1.26 -5.01 117.00 118.19 1sqp n LEU 29 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1sqp n LEU 29 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1sqp n LEU 29 CO 0.51 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.09 1sqp n VAL 30 N -1.55 0.00 0.59 4.08 0.31 -1.26 -4.20 118.33 116.30 1sqp n VAL 30 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1sqp n VAL 30 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 1sqp n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqp n GLN 31 N 0.00 2.18 -0.00 5.55 10.64 -1.26 -3.84 117.38 130.65 1sqp n GLN 31 Ca 0.00 -1.42 0.03 0.00 -1.83 0.00 0.00 57.00 53.78 1sqp n GLN 31 Cb 0.00 -1.46 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 1sqp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sqp n ALA 32 N 0.52 2.69 0.65 2.61 0.00 -1.26 -4.51 120.51 121.21 1sqp n ALA 32 Ca 0.13 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1sqp n ALA 32 Cb 0.43 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.72 1sqp n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqp n ALA 33 N -1.15 2.76 -0.08 0.00 0.00 -1.25 -4.45 120.51 116.35 1sqp n ALA 33 Ca 0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 1sqp n ALA 33 Cb 0.09 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 1sqp n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sqp h VAL 34 N 2.40 1.27 -1.76 0.00 2.07 -1.80 -3.40 116.25 115.04 1sqp h VAL 34 Ca 0.00 -2.27 -0.47 0.00 0.82 0.00 0.00 66.70 64.78 1sqp h VAL 34 Cb 0.58 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 1sqp h VAL 34 CO 0.00 0.47 1.21 -2.84 0.02 0.00 0.00 177.57 176.44 1sqp s PRO 35 N -2.32 2.70 0.00 1.57 0.02 -1.26 -4.97 135.00 130.73 1sqp s PRO 35 Ca -0.24 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.08 1sqp s PRO 35 Cb 0.02 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 30.02 1sqp s PRO 35 CO 0.65 -2.78 0.00 0.00 -0.33 0.00 0.00 177.00 174.54 1sqp n ALA 36 N 12.53 0.00 -2.42 -1.55 0.00 -1.26 -4.64 120.51 123.16 1sqp n ALA 36 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1sqp n ALA 36 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1sqp n ALA 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sqp n THR 37 N -1.90 -0.81 -3.70 0.00 -1.04 -1.26 -5.03 114.28 100.54 1sqp n THR 37 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1sqp n THR 37 Cb 0.00 -2.12 -0.08 0.00 -1.82 0.00 0.00 70.33 66.31 1sqp n THR 37 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sqp n SER 38 N -0.42 3.81 0.23 8.00 3.41 -1.26 -4.94 113.62 122.45 1sqp n SER 38 Ca -0.11 -3.20 0.08 0.00 -0.26 0.00 0.00 58.87 55.38 1sqp n SER 38 Cb 0.59 -0.92 0.54 0.00 -0.26 0.00 0.00 64.21 64.16 1sqp n SER 38 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1sqp h GLU 39 N 5.59 0.00 -3.26 4.33 -0.00 -1.98 -3.49 114.58 115.77 1sqp h GLU 39 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 1sqp h GLU 39 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.52 1sqp h GLU 39 CO 0.82 0.22 -0.81 -1.13 -0.00 0.00 0.00 179.01 178.11 1sqp n SER 40 N -3.87 -7.58 -4.52 3.06 3.41 -1.26 -4.69 113.62 98.16 1sqp n SER 40 Ca -0.02 1.27 -0.38 0.00 -0.26 0.00 0.00 58.87 59.47 1sqp n SER 40 Cb 0.31 -4.17 -0.10 0.00 -0.26 0.00 0.00 64.21 60.00 1sqp n SER 40 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sqp n PRO 41 N -1.40 0.45 -3.80 4.33 -0.02 -1.26 -4.92 135.00 128.38 1sqp n PRO 41 Ca 0.00 -0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1sqp n PRO 41 Cb 0.13 -2.35 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 1sqp n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sqp s VAL 42 N 10.37 3.36 0.00 -1.45 1.01 -1.26 -4.89 120.40 127.53 1sqp s VAL 42 Ca 1.19 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1sqp s VAL 42 Cb -0.78 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1sqp s VAL 42 CO 0.39 -0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.30 1sqp n LEU 43 N 4.67 0.14 -4.58 3.92 7.99 -1.26 -4.97 117.00 122.92 1sqp n LEU 43 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.65 1sqp n LEU 43 Cb 0.43 -0.21 -0.07 0.00 -0.11 0.00 0.00 43.42 43.46 1sqp n LEU 43 CO 0.31 -0.07 1.45 -1.81 -1.51 0.00 0.00 177.39 175.76 1sqp s ASP 44 N -2.86 4.85 -0.64 -1.43 1.11 -1.26 -3.42 116.67 113.01 1sqp s ASP 44 Ca 0.00 -1.57 -0.07 0.00 0.18 0.00 0.00 52.55 51.09 1sqp s ASP 44 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.41 1sqp s ASP 44 CO 0.00 -3.27 0.66 0.00 1.18 0.00 0.00 175.17 173.74 1sqp n LEU 45 N 14.99 -6.22 -3.95 1.23 -0.00 -1.26 -5.09 117.00 116.70 1sqp n LEU 45 Ca 0.44 -0.02 -0.09 0.00 -0.00 0.00 0.00 56.01 56.35 1sqp n LEU 45 Cb 0.47 -3.01 -0.09 0.00 -0.00 0.00 0.00 43.42 40.78 1sqp n LEU 45 CO 0.66 -1.21 -0.24 -0.75 -0.00 0.00 0.00 177.39 175.86 1sqp s LYS 46 N -3.10 0.60 1.34 1.47 2.20 -1.22 -5.19 119.74 115.85 1sqp s LYS 46 Ca 0.10 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 1sqp s LYS 46 Cb -0.02 0.23 0.34 0.00 -1.51 0.00 0.00 37.83 36.87 1sqp s LYS 46 CO 0.78 -0.15 1.00 -0.98 -0.36 0.00 0.00 175.35 175.65 1sqp s ARG 47 N -2.93 -2.31 0.12 4.03 1.70 -1.26 -4.95 118.95 113.35 1sqp s ARG 47 Ca -0.02 0.05 -0.31 0.00 -0.47 0.00 0.00 55.73 54.98 1sqp s ARG 47 Cb 0.01 -1.46 -0.08 0.00 -0.57 0.00 0.00 34.95 32.85 1sqp s ARG 47 CO -0.06 -4.45 1.35 -1.12 -1.08 0.00 0.00 175.30 169.94 1sqp s SER 48 N -3.44 6.88 -0.03 -2.89 0.01 -1.26 -4.97 113.70 107.99 1sqp s SER 48 Ca 0.70 2.28 -0.30 0.00 1.31 0.00 0.00 55.95 59.94 1sqp s SER 48 Cb -0.12 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1sqp s SER 48 CO 0.57 -0.61 1.06 0.68 0.41 0.00 0.00 173.24 175.36 1sqp s VAL 49 N 0.98 4.61 0.00 3.43 -7.23 -1.26 -4.26 120.40 116.66 1sqp s VAL 49 Ca 0.63 1.88 0.00 0.00 -1.81 0.00 0.00 61.98 62.67 1sqp s VAL 49 Cb -0.36 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.38 1sqp s VAL 49 CO 0.31 0.08 0.00 -0.11 -0.31 0.00 0.00 175.10 175.07 1sqp n LEU 50 N 4.46 0.00 -0.90 1.32 0.00 -1.26 -4.91 117.00 115.71 1sqp n LEU 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1sqp n LEU 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1sqp n LEU 50 CO 0.53 0.00 -0.23 0.00 0.00 0.00 0.00 177.39 177.69 1sqp s ARG 52 N -3.09 1.50 -0.15 0.00 6.06 -1.26 -4.67 118.95 117.34 1sqp s ARG 52 Ca 0.00 -2.47 0.14 0.00 -2.50 0.00 0.00 55.73 50.90 1sqp s ARG 52 Cb 0.00 -2.30 0.36 0.00 0.06 0.00 0.00 34.95 33.07 1sqp s ARG 52 CO 0.00 -1.29 1.18 0.39 -2.50 0.00 0.00 175.30 173.08 1sqp n GLU 53 N 2.76 1.22 -0.71 5.12 -0.58 -1.26 -4.84 120.64 122.36 1sqp n GLU 53 Ca 0.21 -2.82 0.08 0.00 -0.42 0.00 0.00 57.16 54.21 1sqp n GLU 53 Cb 0.40 -1.33 0.36 0.00 -0.57 0.00 0.00 31.44 30.30 1sqp n GLU 53 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sqp n SER 54 N -0.95 5.04 -4.74 1.62 3.41 -1.26 -5.03 113.62 111.70 1sqp n SER 54 Ca 0.15 -2.75 -0.38 0.00 -0.26 0.00 0.00 58.87 55.64 1sqp n SER 54 Cb 0.73 -0.61 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1sqp n SER 54 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqp s LEU 55 N -2.39 3.74 0.51 1.04 1.43 -1.26 -5.04 118.68 116.71 1sqp s LEU 55 Ca 0.51 2.69 0.03 0.00 -1.03 0.00 0.00 54.13 56.32 1sqp s LEU 55 Cb 0.37 -4.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.17 1sqp s LEU 55 CO 0.18 -1.72 0.12 -0.13 0.23 0.00 0.00 176.35 175.03 1sqp s ARG 56 N -3.09 2.21 0.00 1.70 0.52 -1.26 -5.27 118.95 113.76 1sqp s ARG 56 Ca 0.76 -2.28 0.19 0.00 -0.52 0.00 0.00 55.73 53.88 1sqp s ARG 56 Cb -0.39 -1.70 1.11 0.00 0.52 0.00 0.00 34.95 34.49 1sqp s ARG 56 CO 0.44 -0.42 1.50 0.41 0.02 0.00 0.00 175.30 177.26