#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 s ASN 2 N 0.00 5.26 0.19 3.17 4.22 -1.26 -4.68 114.94 121.85 1sx4 s ASN 2 Ca 0.00 -0.62 0.07 0.00 -2.14 0.00 0.00 52.86 50.17 1sx4 s ASN 2 Cb 0.00 -0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.36 1sx4 s ASN 2 CO 0.00 -1.16 0.07 -0.63 -2.04 0.00 0.00 177.10 173.35 1sx4 s ILE 3 N -2.59 4.04 -0.34 0.54 1.09 -1.26 -5.11 121.20 117.57 1sx4 s ILE 3 Ca 0.59 -1.37 -0.01 0.00 -1.10 0.00 0.00 60.65 58.77 1sx4 s ILE 3 Cb -0.07 -3.08 0.13 0.00 -1.06 0.00 0.00 42.46 38.38 1sx4 s ILE 3 CO 0.37 -0.18 0.20 -0.60 -0.10 0.00 0.00 174.94 174.63 1sx4 s ARG 4 N -3.22 0.52 0.44 2.79 6.06 -1.26 -4.93 118.95 119.35 1sx4 s ARG 4 Ca 0.30 -1.22 -0.24 0.00 -2.50 0.00 0.00 55.73 52.06 1sx4 s ARG 4 Cb -0.09 -1.33 -0.08 0.00 0.06 0.00 0.00 34.95 33.51 1sx4 s ARG 4 CO 0.21 -1.17 1.26 -1.25 -2.50 0.00 0.00 175.30 171.84 1sx4 s PRO 5 N 1.22 3.80 -0.22 5.12 0.04 -1.26 -4.94 135.00 138.75 1sx4 s PRO 5 Ca 0.16 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 1sx4 s PRO 5 Cb -0.22 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 1sx4 s PRO 5 CO -0.06 -0.59 0.87 -1.17 0.04 0.00 0.00 177.00 176.10 1sx4 s LEU 6 N -2.76 4.11 0.00 -3.56 1.98 -1.26 -4.22 118.68 112.97 1sx4 s LEU 6 Ca 0.61 1.14 0.00 0.00 -2.89 0.00 0.00 54.13 52.99 1sx4 s LEU 6 Cb -0.35 -3.27 0.00 0.00 0.66 0.00 0.00 46.19 43.23 1sx4 s LEU 6 CO 0.43 -0.52 0.00 0.00 -1.89 0.00 0.00 176.35 174.37 1sx4 n HIS 7 N 5.90 0.00 0.00 5.38 1.44 -1.26 -2.43 115.22 124.25 1sx4 n HIS 7 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1sx4 n HIS 7 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1sx4 n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1sx4 n ASP 8 N 0.63 0.00 -4.78 4.39 2.03 -1.26 -4.57 116.55 112.99 1sx4 n ASP 8 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1sx4 n ASP 8 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1sx4 n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sx4 s ARG 9 N 0.00 3.79 -0.03 -0.67 1.81 -1.02 -2.66 118.95 120.17 1sx4 s ARG 9 Ca 0.00 1.66 0.05 0.00 -1.72 0.00 0.00 55.73 55.72 1sx4 s ARG 9 Cb 0.00 -2.35 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 1sx4 s ARG 9 CO 0.00 -0.50 -0.18 0.08 -0.68 0.00 0.00 175.30 174.02 1sx4 s VAL 10 N -1.64 1.47 -0.36 3.52 1.01 0.31 -2.28 120.40 122.43 1sx4 s VAL 10 Ca 0.64 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1sx4 s VAL 10 Cb -0.25 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1sx4 s VAL 10 CO 0.31 0.42 0.23 -0.63 0.00 0.00 0.00 175.10 175.43 1sx4 s ILE 11 N -0.20 4.96 0.29 2.22 1.01 0.44 -2.41 121.20 127.51 1sx4 s ILE 11 Ca 0.02 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1sx4 s ILE 11 Cb -0.09 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1sx4 s ILE 11 CO 0.01 -0.15 -0.12 0.68 0.00 0.00 0.00 174.94 175.36 1sx4 s VAL 12 N 1.64 2.09 -0.04 2.92 -7.23 0.36 0.71 120.40 120.85 1sx4 s VAL 12 Ca 0.04 -2.24 0.06 0.00 -1.81 0.00 0.00 61.98 58.03 1sx4 s VAL 12 Cb -0.18 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1sx4 s VAL 12 CO 0.09 -0.34 -0.23 -1.59 -0.31 0.00 0.00 175.10 172.72 1sx4 s LYS 13 N -3.62 2.14 0.75 4.82 -2.85 0.18 0.08 119.74 121.24 1sx4 s LYS 13 Ca 0.30 -0.81 -0.11 0.00 -1.00 0.00 0.00 55.97 54.34 1sx4 s LYS 13 Cb 0.00 -1.90 0.04 0.00 -2.06 0.00 0.00 37.83 33.91 1sx4 s LYS 13 CO 0.13 0.39 1.08 0.50 0.10 0.00 0.00 175.35 177.55 1sx4 s ARG 14 N -0.25 2.51 0.00 1.78 3.52 -1.26 -0.85 118.95 124.40 1sx4 s ARG 14 Ca 0.01 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 1sx4 s ARG 14 Cb -0.12 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1sx4 s ARG 14 CO 0.02 -1.39 0.00 1.63 -0.81 0.00 0.00 175.30 174.75 1sx4 n LYS 15 N -3.32 2.44 -2.11 5.12 5.02 -1.00 -4.82 118.16 119.50 1sx4 n LYS 15 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1sx4 n LYS 15 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 1sx4 n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sx4 s GLU 16 N -1.13 3.95 -0.11 1.97 0.41 -1.26 -4.55 118.70 117.98 1sx4 s GLU 16 Ca 0.00 1.83 -0.06 0.00 -0.41 0.00 0.00 54.97 56.33 1sx4 s GLU 16 Cb 0.00 -4.00 -0.06 0.00 -1.78 0.00 0.00 34.13 28.29 1sx4 s GLU 16 CO 0.00 -1.10 0.98 0.28 -0.49 0.00 0.00 175.26 174.92 1sx4 n VAL 17 N 6.02 0.00 -2.94 2.63 0.31 -1.26 -2.92 118.33 120.17 1sx4 n VAL 17 Ca 0.18 -0.40 -0.03 0.00 -0.01 0.00 0.00 64.34 64.08 1sx4 n VAL 17 Cb 0.44 -0.40 0.02 0.00 -0.91 0.00 0.00 33.84 32.99 1sx4 n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sx4 n GLU 18 N 4.82 -1.39 -1.57 5.55 1.02 -1.26 -4.85 120.64 122.96 1sx4 n GLU 18 Ca 0.09 1.25 -0.57 0.00 -0.02 0.00 0.00 57.16 57.91 1sx4 n GLU 18 Cb 0.39 -5.34 -0.08 0.00 -0.02 0.00 0.00 31.44 26.39 1sx4 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sx4 n THR 19 N -2.02 0.21 -1.85 2.62 -1.04 -1.15 -4.72 114.28 106.33 1sx4 n THR 19 Ca -0.02 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 1sx4 n THR 19 Cb 0.53 -1.18 -0.07 0.00 -1.82 0.00 0.00 70.33 67.79 1sx4 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sx4 s LYS 20 N 4.64 2.05 0.00 -2.82 3.01 -1.26 -3.67 119.74 121.70 1sx4 s LYS 20 Ca 1.05 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.70 1sx4 s LYS 20 Cb -1.11 -5.02 0.00 0.00 -1.01 0.00 0.00 37.83 30.69 1sx4 s LYS 20 CO 0.62 -4.16 0.00 -1.13 0.51 0.00 0.00 175.35 171.19 1sx4 n SER 21 N 16.28 0.00 -4.44 2.83 3.41 -1.25 -4.60 113.62 125.85 1sx4 n SER 21 Ca 0.43 0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.53 1sx4 n SER 21 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1sx4 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sx4 n ALA 22 N -0.79 -2.98 0.00 7.33 0.00 -1.24 -1.33 120.51 121.51 1sx4 n ALA 22 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1sx4 n ALA 22 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1sx4 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 23 N 1.83 2.61 0.00 0.00 0.00 -1.26 -4.57 105.19 103.79 1sx4 n GLY 23 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1sx4 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 24 N 0.00 -0.28 0.19 -0.02 0.00 -0.44 -4.91 105.19 99.73 1sx4 n GLY 24 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1sx4 n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sx4 h ILE 25 N 0.00 0.80 -3.24 -0.61 2.04 -1.88 -3.45 117.51 111.17 1sx4 h ILE 25 Ca 0.00 -1.45 -0.58 0.00 1.00 0.00 0.00 64.86 63.83 1sx4 h ILE 25 Cb 0.00 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1sx4 h ILE 25 CO 0.00 0.34 0.53 -0.69 0.00 0.00 0.00 178.15 178.32 1sx4 s VAL 26 N -3.60 4.81 -1.34 1.67 1.01 -1.26 -4.95 120.40 116.75 1sx4 s VAL 26 Ca 0.00 1.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.65 1sx4 s VAL 26 Cb 0.11 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.40 1sx4 s VAL 26 CO 0.68 -0.04 1.95 0.18 0.00 0.00 0.00 175.10 177.87 1sx4 n LEU 27 N 5.57 6.51 -4.45 3.92 4.32 -1.26 -3.94 117.00 127.67 1sx4 n LEU 27 Ca 0.07 -4.42 -0.45 0.00 -0.02 0.00 0.00 56.01 51.19 1sx4 n LEU 27 Cb 0.48 -1.57 -0.13 0.00 -1.62 0.00 0.00 43.42 40.59 1sx4 n LEU 27 CO 0.50 1.17 2.08 1.07 -1.22 0.00 0.00 177.39 180.98 1sx4 n THR 28 N 4.20 0.00 -1.65 -5.08 5.66 -1.26 -4.84 114.28 111.31 1sx4 n THR 28 Ca 0.44 -0.08 -0.40 0.00 -3.05 0.00 0.00 64.05 60.95 1sx4 n THR 28 Cb 0.38 -0.77 0.02 0.00 -1.55 0.00 0.00 70.33 68.42 1sx4 n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sx4 n GLY 29 N 6.68 0.07 3.70 1.09 0.00 -1.26 -4.67 105.19 110.81 1sx4 n GLY 29 Ca 0.60 0.10 -0.56 0.00 0.00 0.00 0.00 46.02 46.16 1sx4 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sx4 n SER 30 N 0.07 2.55 -1.83 1.61 7.64 -1.26 -4.86 113.62 117.53 1sx4 n SER 30 Ca 0.09 1.06 0.05 0.00 1.01 0.00 0.00 58.87 61.08 1sx4 n SER 30 Cb 0.41 -1.18 0.37 0.00 -1.01 0.00 0.00 64.21 62.80 1sx4 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sx4 n ALA 31 N 5.49 3.90 -2.80 -0.43 0.00 -1.26 -4.91 120.51 120.49 1sx4 n ALA 31 Ca 0.26 -1.85 -0.06 0.00 0.00 0.00 0.00 53.44 51.79 1sx4 n ALA 31 Cb 0.16 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1sx4 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 32 N 0.49 -2.18 -3.17 0.00 0.00 -1.26 -5.10 120.51 109.29 1sx4 n ALA 32 Ca 0.28 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1sx4 n ALA 32 Cb 1.17 -2.91 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 1sx4 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 s ALA 33 N -3.15 -0.97 0.38 0.00 0.00 -1.26 -5.19 121.76 111.57 1sx4 s ALA 33 Ca 0.18 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.55 1sx4 s ALA 33 Cb -0.02 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1sx4 s ALA 33 CO 0.59 -0.41 0.11 0.21 0.00 0.00 0.00 175.76 176.26 1sx4 s LYS 34 N -2.19 2.18 0.22 0.00 2.47 -1.26 -4.46 119.74 116.70 1sx4 s LYS 34 Ca -0.07 -1.79 -0.14 0.00 -1.56 0.00 0.00 55.97 52.41 1sx4 s LYS 34 Cb -0.02 -1.97 -0.08 0.00 -1.46 0.00 0.00 37.83 34.31 1sx4 s LYS 34 CO -0.00 0.01 0.61 0.45 0.16 0.00 0.00 175.35 176.57 1sx4 s SER 35 N -3.82 6.80 0.00 1.43 0.15 -1.26 -4.83 113.70 112.17 1sx4 s SER 35 Ca 0.38 1.13 0.13 0.00 0.70 0.00 0.00 55.95 58.29 1sx4 s SER 35 Cb 0.02 -2.31 0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1sx4 s SER 35 CO 0.21 -0.02 0.89 0.35 1.20 0.00 0.00 173.24 175.87 1sx4 n THR 36 N 0.31 0.00 -3.13 6.45 -2.24 -1.26 -4.82 114.28 109.59 1sx4 n THR 36 Ca -0.02 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1sx4 n THR 36 Cb 0.52 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1sx4 n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sx4 s ARG 37 N -1.21 3.74 -0.10 -0.78 3.00 -1.26 -1.22 118.95 121.12 1sx4 s ARG 37 Ca 0.15 0.28 -0.30 0.00 0.00 0.00 0.00 55.73 55.86 1sx4 s ARG 37 Cb 0.11 -2.52 0.11 0.00 0.00 0.00 0.00 34.95 32.65 1sx4 s ARG 37 CO 0.20 0.12 0.93 0.20 0.00 0.00 0.00 175.30 176.75 1sx4 s GLY 38 N -3.00 -0.36 -0.15 -3.53 0.00 0.51 -2.38 107.32 98.42 1sx4 s GLY 38 Ca 0.48 1.65 -0.10 0.00 0.00 0.00 0.00 44.72 46.75 1sx4 s GLY 38 CO 0.28 0.81 0.18 1.85 0.00 0.00 0.00 173.10 176.23 1sx4 s GLU 39 N -1.74 3.93 -0.15 2.90 2.12 -0.03 -0.01 118.70 125.74 1sx4 s GLU 39 Ca -0.01 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 1sx4 s GLU 39 Cb -0.01 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1sx4 s GLU 39 CO -0.01 0.48 0.90 0.08 -0.54 0.00 0.00 175.26 176.17 1sx4 s VAL 40 N -0.19 4.84 -0.26 3.70 1.01 -0.55 0.47 120.40 129.43 1sx4 s VAL 40 Ca 0.13 1.78 -0.08 0.00 0.00 0.00 0.00 61.98 63.81 1sx4 s VAL 40 Cb -0.12 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1sx4 s VAL 40 CO 0.02 0.02 -0.30 0.18 0.00 0.00 0.00 175.10 175.02 1sx4 n LEU 41 N 5.15 2.23 -4.08 3.92 4.77 0.22 -0.18 117.00 129.03 1sx4 n LEU 41 Ca 0.06 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1sx4 n LEU 41 Cb 0.49 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1sx4 n LEU 41 CO 0.50 0.67 -0.27 0.00 -1.33 0.00 0.00 177.39 176.96 1sx4 s ALA 42 N -2.49 0.56 -0.00 -1.18 0.00 -0.68 -4.68 121.76 113.29 1sx4 s ALA 42 Ca -0.36 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1sx4 s ALA 42 Cb 0.12 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1sx4 s ALA 42 CO 0.50 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.76 1sx4 s VAL 43 N -3.98 0.85 0.32 0.00 1.01 -1.26 -0.42 120.40 116.91 1sx4 s VAL 43 Ca 0.16 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1sx4 s VAL 43 Cb 0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1sx4 s VAL 43 CO -0.03 0.19 0.68 -0.83 0.00 0.00 0.00 175.10 175.10 1sx4 s GLY 44 N -0.39 2.16 0.29 4.51 0.00 -0.96 -4.59 107.32 108.34 1sx4 s GLY 44 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1sx4 s GLY 44 CO -0.00 0.00 1.47 0.70 0.00 0.00 0.00 173.10 175.27 1sx4 n ASN 45 N -0.63 -0.11 0.00 1.64 3.02 -1.26 -4.25 115.26 113.67 1sx4 n ASN 45 Ca 0.02 1.59 0.00 0.00 -0.03 0.00 0.00 54.58 56.16 1sx4 n ASN 45 Cb 0.53 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1sx4 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sx4 n GLY 46 N -1.47 4.27 3.60 7.41 0.00 -1.26 -4.19 105.19 113.56 1sx4 n GLY 46 Ca 0.22 -1.51 -0.47 0.00 0.00 0.00 0.00 46.02 44.26 1sx4 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sx4 n ARG 47 N -1.98 1.43 0.01 1.61 0.63 -1.13 -4.08 116.66 113.14 1sx4 n ARG 47 Ca 0.00 0.51 0.09 0.00 -0.92 0.00 0.00 57.85 57.52 1sx4 n ARG 47 Cb 0.00 -2.00 -0.12 0.00 0.45 0.00 0.00 32.46 30.79 1sx4 n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1sx4 n ILE 48 N 1.19 0.33 -0.81 5.15 5.41 -1.26 -2.56 119.36 126.82 1sx4 n ILE 48 Ca 0.12 -0.55 -0.27 0.00 1.00 0.00 0.00 62.75 63.05 1sx4 n ILE 48 Cb 0.28 -0.16 -0.01 0.00 -0.71 0.00 0.00 39.64 39.04 1sx4 n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sx4 n LEU 49 N -2.44 -1.05 -2.12 1.39 4.77 -1.26 -3.47 117.00 112.82 1sx4 n LEU 49 Ca -0.06 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1sx4 n LEU 49 Cb 0.63 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1sx4 n LEU 49 CO 0.44 -2.00 0.09 1.21 -1.33 0.00 0.00 177.39 175.81 1sx4 n GLU 50 N 0.66 -3.98 0.00 3.23 2.13 -1.26 -4.76 120.64 116.66 1sx4 n GLU 50 Ca 0.09 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1sx4 n GLU 50 Cb 0.18 -4.49 0.00 0.00 0.27 0.00 0.00 31.44 27.40 1sx4 n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1sx4 n ASN 51 N -0.95 0.00 -3.24 4.31 5.15 -1.23 -4.82 115.26 114.49 1sx4 n ASN 51 Ca -0.02 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.62 1sx4 n ASN 51 Cb 0.55 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.69 1sx4 n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sx4 n GLY 52 N 0.00 -0.29 0.61 8.20 0.00 -1.26 -4.62 105.19 107.83 1sx4 n GLY 52 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 46.02 46.94 1sx4 n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sx4 n GLU 53 N 6.01 -1.24 -3.42 1.61 4.71 -1.26 -4.97 120.64 122.08 1sx4 n GLU 53 Ca 0.46 0.82 -0.16 0.00 -0.01 0.00 0.00 57.16 58.27 1sx4 n GLU 53 Cb 0.01 -1.51 -0.10 0.00 -1.01 0.00 0.00 31.44 28.83 1sx4 n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sx4 s VAL 54 N -1.56 -0.42 0.14 2.62 1.01 -1.26 -4.78 120.40 116.16 1sx4 s VAL 54 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 1sx4 s VAL 54 Cb 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 1sx4 s VAL 54 CO 0.00 -0.32 0.89 -1.59 0.00 0.00 0.00 175.10 174.08 1sx4 s LYS 55 N 2.39 4.68 1.19 2.72 0.00 -1.06 -4.92 119.74 124.74 1sx4 s LYS 55 Ca 0.09 1.34 -0.16 0.00 0.00 0.00 0.00 55.97 57.25 1sx4 s LYS 55 Cb -0.15 -3.33 0.28 0.00 0.00 0.00 0.00 37.83 34.64 1sx4 s LYS 55 CO -0.23 0.37 1.04 -1.25 0.00 0.00 0.00 175.35 175.27 1sx4 s PRO 56 N -0.51 -1.08 0.25 1.78 0.04 -1.26 -2.86 135.00 131.36 1sx4 s PRO 56 Ca 0.42 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1sx4 s PRO 56 Cb -0.23 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1sx4 s PRO 56 CO 0.29 -3.74 0.44 -0.51 0.04 0.00 0.00 177.00 173.52 1sx4 s LEU 57 N -7.13 4.17 0.00 -3.56 1.43 -1.26 -4.76 118.68 107.57 1sx4 s LEU 57 Ca 0.68 0.37 0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1sx4 s LEU 57 Cb -0.19 -3.17 0.52 0.00 0.03 0.00 0.00 46.19 43.38 1sx4 s LEU 57 CO 0.60 -0.13 1.42 0.47 0.23 0.00 0.00 176.35 178.95 1sx4 n ASP 58 N -1.13 2.45 -4.56 2.29 9.92 -1.26 -4.83 116.55 119.43 1sx4 n ASP 58 Ca -0.05 -1.91 -0.34 0.00 -0.53 0.00 0.00 54.79 51.96 1sx4 n ASP 58 Cb 0.55 -0.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.67 1sx4 n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1sx4 s VAL 59 N -1.51 3.85 0.33 2.53 -7.23 -1.26 -5.13 120.40 111.98 1sx4 s VAL 59 Ca 0.33 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1sx4 s VAL 59 Cb 0.18 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1sx4 s VAL 59 CO 0.25 0.56 0.43 -1.59 -0.31 0.00 0.00 175.10 174.44 1sx4 s LYS 60 N -0.36 3.03 -0.28 4.82 -2.85 -1.26 -4.97 119.74 117.86 1sx4 s LYS 60 Ca 0.06 -1.07 -0.28 0.00 -1.00 0.00 0.00 55.97 53.68 1sx4 s LYS 60 Cb -0.12 -2.74 -0.05 0.00 -2.06 0.00 0.00 37.83 32.85 1sx4 s LYS 60 CO 0.02 0.08 2.24 0.08 0.10 0.00 0.00 175.35 177.87 1sx4 s VAL 61 N -2.20 3.03 0.00 1.79 1.01 -1.26 -2.54 120.40 120.22 1sx4 s VAL 61 Ca 0.44 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1sx4 s VAL 61 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1sx4 s VAL 61 CO 0.30 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1sx4 n GLY 62 N 5.81 1.04 3.74 4.51 0.00 0.75 -5.00 105.19 116.04 1sx4 n GLY 62 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1sx4 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 63 N -1.64 4.28 -0.19 1.61 1.01 -1.05 -4.66 116.67 116.03 1sx4 s ASP 63 Ca 0.00 2.04 -0.08 0.00 0.71 0.00 0.00 52.55 55.22 1sx4 s ASP 63 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1sx4 s ASP 63 CO 0.00 -2.19 0.07 -0.63 0.21 0.00 0.00 175.17 172.63 1sx4 s ILE 64 N -2.54 4.83 0.01 0.77 1.01 -1.26 -1.48 121.20 122.54 1sx4 s ILE 64 Ca 0.66 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.32 1sx4 s ILE 64 Cb -0.21 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1sx4 s ILE 64 CO 0.51 0.44 -0.09 0.68 0.00 0.00 0.00 174.94 176.48 1sx4 s VAL 65 N 0.50 0.68 -0.26 2.92 -7.23 0.99 -1.54 120.40 116.46 1sx4 s VAL 65 Ca 0.04 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 1sx4 s VAL 65 Cb -0.13 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1sx4 s VAL 65 CO 0.01 0.02 0.40 -0.63 -0.31 0.00 0.00 175.10 174.59 1sx4 s ILE 66 N -0.55 5.16 0.42 -0.62 1.01 -1.02 -0.36 121.20 125.23 1sx4 s ILE 66 Ca -0.00 0.65 0.07 0.00 0.00 0.00 0.00 60.65 61.37 1sx4 s ILE 66 Cb -0.05 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1sx4 s ILE 66 CO 0.00 0.16 0.15 0.72 0.00 0.00 0.00 174.94 175.98 1sx4 s PHE 67 N 1.99 2.57 -0.48 3.97 -0.12 -0.36 -1.70 117.98 123.85 1sx4 s PHE 67 Ca 0.17 -0.61 -0.19 0.00 -0.05 0.00 0.00 56.93 56.25 1sx4 s PHE 67 Cb -0.16 -1.93 0.05 0.00 -0.63 0.00 0.00 43.02 40.36 1sx4 s PHE 67 CO 0.09 0.22 0.57 1.21 -0.05 0.00 0.00 175.22 177.26 1sx4 s ASN 68 N -3.88 6.22 -0.44 1.98 3.84 0.07 -4.85 114.94 117.89 1sx4 s ASN 68 Ca 0.39 -0.83 -0.28 0.00 0.21 0.00 0.00 52.86 52.35 1sx4 s ASN 68 Cb 0.05 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.48 1sx4 s ASN 68 CO 0.22 -0.80 1.52 -0.62 -2.79 0.00 0.00 177.10 174.63 1sx4 s ASP 69 N 2.43 6.13 0.00 -4.21 -1.08 -1.26 -4.89 116.67 113.79 1sx4 s ASP 69 Ca 0.14 0.78 0.00 0.00 -0.52 0.00 0.00 52.55 52.95 1sx4 s ASP 69 Cb -0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1sx4 s ASP 69 CO 0.13 -1.61 0.00 0.61 0.52 0.00 0.00 175.17 174.81 1sx4 n GLY 70 N 5.23 3.25 0.29 2.66 0.00 -1.26 -5.05 105.19 110.31 1sx4 n GLY 70 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1sx4 n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sx4 h TYR 71 N 0.00 0.65 -0.09 1.61 3.20 -2.04 -2.88 116.97 117.41 1sx4 h TYR 71 Ca 0.00 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1sx4 h TYR 71 Cb 0.00 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 1sx4 h TYR 71 CO 0.00 0.54 0.18 0.78 -1.64 0.00 0.00 178.16 178.03 1sx4 h GLY 72 N 0.83 0.00 -5.02 1.82 0.00 -1.96 -3.43 103.07 95.31 1sx4 h GLY 72 Ca 0.15 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.86 1sx4 h GLY 72 CO -0.01 0.00 -0.28 0.14 0.00 0.00 0.00 176.54 176.40 1sx4 s VAL 73 N -4.37 5.15 0.15 4.60 1.01 -1.09 -4.56 120.40 121.29 1sx4 s VAL 73 Ca -0.04 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1sx4 s VAL 73 Cb 0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1sx4 s VAL 73 CO 0.44 0.50 -0.16 -0.54 0.00 0.00 0.00 175.10 175.34 1sx4 s LYS 74 N -1.32 1.18 -0.20 2.72 -0.14 -0.72 -4.93 119.74 116.32 1sx4 s LYS 74 Ca 0.25 -1.35 -0.08 0.00 -1.36 0.00 0.00 55.97 53.43 1sx4 s LYS 74 Cb -0.15 -1.15 -0.04 0.00 -1.68 0.00 0.00 37.83 34.81 1sx4 s LYS 74 CO 0.13 0.23 0.07 0.45 -0.76 0.00 0.00 175.35 175.47 1sx4 s SER 75 N -2.62 5.52 0.30 2.83 0.15 -1.26 -1.57 113.70 117.05 1sx4 s SER 75 Ca 0.14 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1sx4 s SER 75 Cb -0.05 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1sx4 s SER 75 CO 0.05 0.11 0.22 -1.61 1.20 0.00 0.00 173.24 173.21 1sx4 s GLU 76 N 0.76 1.62 -0.10 5.44 0.41 -0.75 -5.04 118.70 121.05 1sx4 s GLU 76 Ca 0.04 -1.93 -0.02 0.00 -0.41 0.00 0.00 54.97 52.66 1sx4 s GLU 76 Cb -0.13 0.21 0.03 0.00 -1.78 0.00 0.00 34.13 32.46 1sx4 s GLU 76 CO 0.02 -0.56 0.00 0.21 -0.49 0.00 0.00 175.26 174.44 1sx4 s LYS 77 N -3.67 0.70 -0.22 1.61 2.47 -1.26 -2.88 119.74 116.48 1sx4 s LYS 77 Ca 0.39 -0.02 0.02 0.00 -1.56 0.00 0.00 55.97 54.80 1sx4 s LYS 77 Cb 0.04 -1.24 0.05 0.00 -1.46 0.00 0.00 37.83 35.21 1sx4 s LYS 77 CO 0.22 -0.36 -0.12 0.42 0.16 0.00 0.00 175.35 175.67 1sx4 s ILE 78 N 1.93 1.93 -0.25 5.43 1.09 -1.13 -4.60 121.20 125.59 1sx4 s ILE 78 Ca 0.04 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.31 1sx4 s ILE 78 Cb -0.13 -1.99 0.00 0.00 -1.06 0.00 0.00 42.46 39.28 1sx4 s ILE 78 CO -0.06 0.12 0.00 0.47 -0.10 0.00 0.00 174.94 175.37 1sx4 n ASP 79 N 4.56 -5.78 -1.22 3.58 8.00 -1.26 -2.46 116.55 121.97 1sx4 n ASP 79 Ca -0.15 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1sx4 n ASP 79 Cb 0.45 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1sx4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sx4 n ASN 80 N -0.97 -1.80 -3.86 -2.24 2.85 -1.26 -5.13 115.26 102.84 1sx4 n ASN 80 Ca -0.02 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.33 1sx4 n ASN 80 Cb 0.49 -0.45 -0.13 0.00 1.24 0.00 0.00 39.78 40.93 1sx4 n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1sx4 s GLU 81 N -3.07 0.10 -0.63 1.20 8.01 -1.03 -5.12 118.70 118.16 1sx4 s GLU 81 Ca 0.00 -0.01 -0.27 0.00 0.01 0.00 0.00 54.97 54.70 1sx4 s GLU 81 Cb 0.00 0.04 0.02 0.00 -4.31 0.00 0.00 34.13 29.88 1sx4 s GLU 81 CO 0.00 -0.01 1.41 -1.21 0.01 0.00 0.00 175.26 175.46 1sx4 s GLU 82 N -0.15 3.19 0.05 1.61 0.41 -1.26 -2.83 118.70 119.71 1sx4 s GLU 82 Ca -0.02 0.22 0.08 0.00 -0.41 0.00 0.00 54.97 54.85 1sx4 s GLU 82 Cb -0.01 -4.17 -0.03 0.00 -1.78 0.00 0.00 34.13 28.14 1sx4 s GLU 82 CO 0.00 -2.10 -0.24 0.14 -0.49 0.00 0.00 175.26 172.57 1sx4 s VAL 83 N 6.29 1.92 0.12 2.63 -7.23 -1.14 -4.22 120.40 118.76 1sx4 s VAL 83 Ca 0.48 -1.31 0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1sx4 s VAL 83 Cb -0.10 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1sx4 s VAL 83 CO 0.21 0.28 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.36 1sx4 s LEU 84 N -1.23 2.77 -0.39 1.32 1.02 0.11 -1.81 118.68 120.47 1sx4 s LEU 84 Ca 0.10 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.73 1sx4 s LEU 84 Cb -0.09 -1.59 0.12 0.00 0.02 0.00 0.00 46.19 44.64 1sx4 s LEU 84 CO 0.02 0.17 0.15 -0.63 0.02 0.00 0.00 176.35 176.09 1sx4 s ILE 85 N -1.19 1.60 0.36 -0.59 1.01 -0.61 -0.49 121.20 121.29 1sx4 s ILE 85 Ca 0.19 -2.25 0.08 0.00 0.00 0.00 0.00 60.65 58.67 1sx4 s ILE 85 Cb -0.11 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.14 1sx4 s ILE 85 CO 0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 174.94 174.26 1sx4 s MET 86 N 0.79 1.83 0.52 2.79 0.23 -1.01 -1.76 119.30 122.69 1sx4 s MET 86 Ca 0.14 -1.99 -0.05 0.00 -1.03 0.00 0.00 55.69 52.76 1sx4 s MET 86 Cb -0.21 -1.56 -0.02 0.00 -1.53 0.00 0.00 34.83 31.51 1sx4 s MET 86 CO -0.09 0.03 0.81 -1.54 -2.03 0.00 0.00 175.02 172.20 1sx4 s SER 87 N -3.62 5.99 0.49 -1.18 1.04 -1.26 0.11 113.70 115.26 1sx4 s SER 87 Ca 0.33 0.79 0.20 0.00 0.48 0.00 0.00 55.95 57.76 1sx4 s SER 87 Cb 0.06 -1.99 1.24 0.00 0.10 0.00 0.00 66.02 65.43 1sx4 s SER 87 CO 0.17 -0.76 1.99 -0.08 0.98 0.00 0.00 173.24 175.54 1sx4 h GLU 88 N 0.10 0.17 -1.29 4.02 4.81 -1.85 0.01 114.58 120.56 1sx4 h GLU 88 Ca -0.46 -0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.13 1sx4 h GLU 88 Cb 1.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1sx4 h GLU 88 CO 0.61 0.11 0.95 0.77 -0.73 0.00 0.00 179.01 180.72 1sx4 h SER 89 N 0.17 0.00 0.45 1.04 0.02 -1.93 0.19 113.55 113.49 1sx4 h SER 89 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1sx4 h SER 89 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1sx4 h SER 89 CO -0.04 0.00 -1.08 0.47 -1.14 0.00 0.00 176.83 175.04 1sx4 n ASP 90 N -4.08 0.60 -4.70 3.07 8.00 -0.01 -4.87 116.55 114.55 1sx4 n ASP 90 Ca 0.28 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1sx4 n ASP 90 Cb 1.36 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 43.27 1sx4 n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sx4 s ILE 91 N -3.23 4.89 -0.24 0.53 1.01 0.65 -0.75 121.20 124.06 1sx4 s ILE 91 Ca 0.03 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1sx4 s ILE 91 Cb 0.14 -4.24 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 1sx4 s ILE 91 CO 0.81 0.13 -0.21 0.18 0.00 0.00 0.00 174.94 175.85 1sx4 n LEU 92 N 4.27 2.89 -3.88 2.97 4.77 -0.69 -4.95 117.00 122.38 1sx4 n LEU 92 Ca 0.05 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 1sx4 n LEU 92 Cb 0.50 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1sx4 n LEU 92 CO 0.51 0.90 0.43 0.00 -1.33 0.00 0.00 177.39 177.90 1sx4 s ALA 93 N -2.49 -1.05 -0.12 -1.18 0.00 -1.12 -5.03 121.76 110.77 1sx4 s ALA 93 Ca -0.32 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1sx4 s ALA 93 Cb 0.08 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1sx4 s ALA 93 CO 0.57 -1.01 -0.14 0.42 0.00 0.00 0.00 175.76 175.60 1sx4 s ILE 94 N -3.82 1.47 -0.25 0.00 1.01 -1.26 -2.45 121.20 115.90 1sx4 s ILE 94 Ca 0.13 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 1sx4 s ILE 94 Cb -0.05 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1sx4 s ILE 94 CO 0.08 0.44 1.02 -0.69 0.00 0.00 0.00 174.94 175.79 1sx4 s VAL 95 N 1.22 4.66 0.00 2.92 1.01 -0.59 -4.98 120.40 124.64 1sx4 s VAL 95 Ca -0.02 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1sx4 s VAL 95 Cb -0.14 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1sx4 s VAL 95 CO -0.05 -0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.19 1sx4 n GLU 96 N 6.40 2.92 -0.16 2.72 1.02 -1.26 -4.44 120.64 127.84 1sx4 n GLU 96 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1sx4 n GLU 96 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1sx4 n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31