#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gru s ASN 2 N 0.00 3.98 0.40 7.83 4.22 -1.26 -4.74 114.94 125.37 1gru s ASN 2 Ca 0.00 -1.05 -0.02 0.00 -2.14 0.00 0.00 52.86 49.65 1gru s ASN 2 Cb 0.00 -0.46 -0.03 0.00 1.28 0.00 0.00 41.25 42.04 1gru s ASN 2 CO 0.00 -0.19 0.64 0.27 -2.04 0.00 0.00 177.10 175.78 1gru s ILE 3 N -2.54 5.03 -0.22 0.54 -5.25 -1.26 -5.10 121.20 112.39 1gru s ILE 3 Ca 0.33 -0.20 -0.02 0.00 -0.99 0.00 0.00 60.65 59.78 1gru s ILE 3 Cb 0.00 -3.86 0.07 0.00 2.95 0.00 0.00 42.46 41.61 1gru s ILE 3 CO 0.18 -0.67 0.02 -0.60 -1.79 0.00 0.00 174.94 172.08 1gru s ARG 4 N -4.47 0.94 1.17 0.37 6.06 -1.26 -4.99 118.95 116.77 1gru s ARG 4 Ca 0.43 -0.68 -0.16 0.00 -2.50 0.00 0.00 55.73 52.81 1gru s ARG 4 Cb -0.10 -2.24 0.20 0.00 0.06 0.00 0.00 34.95 32.88 1gru s ARG 4 CO 0.39 -0.68 0.47 -0.35 -2.50 0.00 0.00 175.30 172.63 1gru n PRO 5 N 4.91 -2.20 -3.79 5.12 -0.04 -1.26 -4.97 135.00 132.77 1gru n PRO 5 Ca -0.09 -0.62 -0.28 0.00 -0.04 0.00 0.00 63.50 62.47 1gru n PRO 5 Cb 0.45 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1gru n PRO 5 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1gru s LEU 6 N -4.15 3.86 0.00 1.53 1.98 -1.26 -4.75 118.68 115.90 1gru s LEU 6 Ca 0.62 -3.45 0.00 0.00 -2.89 0.00 0.00 54.13 48.41 1gru s LEU 6 Cb -0.18 -1.34 0.00 0.00 0.66 0.00 0.00 46.19 45.33 1gru s LEU 6 CO 0.65 -0.14 0.00 0.00 -1.89 0.00 0.00 176.35 174.97 1gru n HIS 7 N 2.48 0.00 0.00 5.38 1.44 -1.26 -3.74 115.22 119.52 1gru n HIS 7 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1gru n HIS 7 Cb 0.37 -0.45 0.00 0.00 0.12 0.00 0.00 29.99 30.03 1gru n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1gru n ASP 8 N 0.82 0.00 -4.69 4.39 2.03 -1.25 -4.68 116.55 113.16 1gru n ASP 8 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1gru n ASP 8 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1gru n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1gru s ARG 9 N 0.00 4.43 -0.04 -0.67 1.81 -1.24 -1.62 118.95 121.62 1gru s ARG 9 Ca 0.00 1.51 0.04 0.00 -1.72 0.00 0.00 55.73 55.56 1gru s ARG 9 Cb 0.00 -3.51 -0.03 0.00 -0.45 0.00 0.00 34.95 30.96 1gru s ARG 9 CO 0.00 -0.29 -0.14 0.08 -0.68 0.00 0.00 175.30 174.27 1gru s VAL 10 N 1.76 3.10 -0.28 3.52 1.01 0.36 -1.14 120.40 128.73 1gru s VAL 10 Ca 0.52 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1gru s VAL 10 Cb -0.22 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1gru s VAL 10 CO 0.22 0.55 0.10 -0.63 0.00 0.00 0.00 175.10 175.34 1gru s ILE 11 N -0.78 4.38 0.29 2.22 1.01 0.14 -2.33 121.20 126.14 1gru s ILE 11 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1gru s ILE 11 Cb -0.11 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1gru s ILE 11 CO 0.02 0.22 0.13 0.68 0.00 0.00 0.00 174.94 175.99 1gru s VAL 12 N 1.60 0.43 -0.06 2.92 -7.23 -0.79 0.63 120.40 117.90 1gru s VAL 12 Ca 0.05 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1gru s VAL 12 Cb -0.16 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1gru s VAL 12 CO 0.04 0.00 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.23 1gru s LYS 13 N -3.89 0.73 1.34 4.82 -2.85 -0.69 -0.13 119.74 119.07 1gru s LYS 13 Ca 0.36 0.02 -0.22 0.00 -1.00 0.00 0.00 55.97 55.12 1gru s LYS 13 Cb 0.06 -0.96 0.35 0.00 -2.06 0.00 0.00 37.83 35.22 1gru s LYS 13 CO 0.16 -0.23 0.78 -2.13 0.10 0.00 0.00 175.35 174.04 1gru n ARG 14 N 4.77 -4.59 -1.50 1.78 0.63 -1.26 -0.99 116.66 115.49 1gru n ARG 14 Ca -0.13 -1.32 0.00 0.00 -0.92 0.00 0.00 57.85 55.48 1gru n ARG 14 Cb 0.50 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.68 1gru n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1gru n LYS 15 N -5.40 0.95 -1.55 -0.14 5.02 0.04 -4.70 118.16 112.38 1gru n LYS 15 Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1gru n LYS 15 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.51 1gru n LYS 15 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gru n GLU 16 N 0.00 1.44 -1.96 1.97 -0.58 -1.26 -4.63 120.64 115.62 1gru n GLU 16 Ca 0.00 0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1gru n GLU 16 Cb 0.00 -3.06 -0.03 0.00 -0.57 0.00 0.00 31.44 27.78 1gru n GLU 16 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1gru s VAL 17 N 9.23 3.42 -1.26 2.62 1.01 -1.26 -3.61 120.40 130.55 1gru s VAL 17 Ca 1.04 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1gru s VAL 17 Cb -0.44 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1gru s VAL 17 CO 0.36 -0.04 0.60 -0.62 0.00 0.00 0.00 175.10 175.40 1gru n GLU 18 N 6.85 -0.46 -1.89 2.72 1.02 -1.26 -4.84 120.64 122.78 1gru n GLU 18 Ca 0.17 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 1gru n GLU 18 Cb 0.42 -2.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.01 1gru n GLU 18 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1gru s THR 19 N -3.64 2.53 -0.71 2.62 2.01 -1.24 -4.60 115.64 112.61 1gru s THR 19 Ca 0.42 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 1gru s THR 19 Cb -0.23 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1gru s THR 19 CO 0.97 0.03 2.04 -0.54 -0.69 0.00 0.00 174.62 176.42 1gru s LYS 20 N 1.27 2.40 0.00 4.92 3.01 -1.26 -4.05 119.74 126.03 1gru s LYS 20 Ca 0.71 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 1gru s LYS 20 Cb -0.45 -4.69 0.00 0.00 -1.01 0.00 0.00 37.83 31.68 1gru s LYS 20 CO 0.31 -3.24 0.00 -1.13 0.51 0.00 0.00 175.35 171.80 1gru n SER 21 N 14.36 0.00 -4.76 2.83 3.41 -1.21 -4.69 113.62 123.55 1gru n SER 21 Ca 0.33 -0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 1gru n SER 21 Cb 0.50 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.52 1gru n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gru s ALA 22 N 0.00 2.30 0.00 7.33 0.00 -1.23 -2.77 121.76 127.39 1gru s ALA 22 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1gru s ALA 22 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1gru s ALA 22 CO 0.00 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.54 1gru n GLY 23 N -0.84 0.22 3.43 0.00 0.00 -1.26 -3.74 105.19 103.00 1gru n GLY 23 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1gru n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gru n GLY 24 N -0.75 1.37 0.33 -0.02 0.00 -1.11 -4.12 105.19 100.88 1gru n GLY 24 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 1gru n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gru h ILE 25 N 0.00 1.20 -1.65 -0.61 2.04 -1.80 -3.42 117.51 113.26 1gru h ILE 25 Ca 0.00 -0.53 -0.68 0.00 1.00 0.00 0.00 64.86 64.64 1gru h ILE 25 Cb 0.00 0.38 0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1gru h ILE 25 CO 0.00 0.23 0.42 0.52 0.00 0.00 0.00 178.15 179.32 1gru n VAL 26 N -4.36 0.04 -3.15 1.67 0.31 -1.25 -4.88 118.33 106.71 1gru n VAL 26 Ca 0.06 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.93 1gru n VAL 26 Cb 0.12 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1gru n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1gru n LEU 27 N 2.43 5.45 -4.53 7.52 0.00 -1.26 -3.30 117.00 123.31 1gru n LEU 27 Ca 0.18 -4.80 -0.42 0.00 0.00 0.00 0.00 56.01 50.97 1gru n LEU 27 Cb 0.19 -1.53 -0.05 0.00 0.00 0.00 0.00 43.42 42.02 1gru n LEU 27 CO 0.62 1.11 1.94 1.07 0.00 0.00 0.00 177.39 182.13 1gru n THR 28 N 3.43 0.11 -0.83 1.96 5.66 -1.26 -4.90 114.28 118.44 1gru n THR 28 Ca 0.30 -0.49 -0.29 0.00 -3.05 0.00 0.00 64.05 60.51 1gru n THR 28 Cb 0.40 -2.21 0.19 0.00 -1.55 0.00 0.00 70.33 67.16 1gru n THR 28 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1gru s GLY 29 N 9.58 1.61 -0.92 1.09 0.00 -1.26 -4.01 107.32 113.40 1gru s GLY 29 Ca 1.06 0.07 -0.24 0.00 0.00 0.00 0.00 44.72 45.60 1gru s GLY 29 CO 0.37 0.63 1.40 -0.45 0.00 0.00 0.00 173.10 175.05 1gru s SER 30 N -2.90 6.36 0.00 1.64 0.15 -1.26 -4.85 113.70 112.84 1gru s SER 30 Ca 0.66 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1gru s SER 30 Cb -0.22 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1gru s SER 30 CO 0.60 -1.65 1.40 0.00 1.20 0.00 0.00 173.24 174.79 1gru n ALA 31 N 9.16 3.23 -2.20 5.45 0.00 -1.26 -4.65 120.51 130.24 1gru n ALA 31 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.60 1gru n ALA 31 Cb 0.50 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 1gru n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru n ALA 32 N 1.52 -0.22 -4.05 0.00 0.00 -1.26 -5.07 120.51 111.43 1gru n ALA 32 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 1gru n ALA 32 Cb 0.37 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1gru n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru n ALA 33 N -1.52 0.69 -4.11 0.00 0.00 -1.26 -5.17 120.51 109.13 1gru n ALA 33 Ca -0.07 -2.04 -0.18 0.00 0.00 0.00 0.00 53.44 51.15 1gru n ALA 33 Cb 0.56 0.91 -0.05 0.00 0.00 0.00 0.00 19.45 20.87 1gru n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gru n LYS 34 N -1.56 0.70 -4.05 0.00 3.00 -1.26 -4.73 118.16 110.27 1gru n LYS 34 Ca -0.06 -2.22 -0.27 0.00 -0.00 0.00 0.00 58.31 55.77 1gru n LYS 34 Cb 0.58 1.21 -0.05 0.00 0.00 0.00 0.00 35.03 36.77 1gru n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1gru s SER 35 N -2.61 5.71 -0.00 3.14 0.15 -1.26 -4.38 113.70 114.45 1gru s SER 35 Ca 0.13 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1gru s SER 35 Cb 0.01 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.75 1gru s SER 35 CO 0.09 0.07 0.03 0.35 1.20 0.00 0.00 173.24 174.99 1gru n THR 36 N -0.32 0.00 -3.16 6.45 -2.24 -1.26 -4.88 114.28 108.86 1gru n THR 36 Ca -0.08 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 1gru n THR 36 Cb 0.54 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1gru n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gru s ARG 37 N -1.63 3.96 0.26 -0.78 3.00 -1.26 -2.64 118.95 119.87 1gru s ARG 37 Ca -0.00 0.60 -0.20 0.00 0.00 0.00 0.00 55.73 56.13 1gru s ARG 37 Cb 0.01 -2.46 0.06 0.00 0.00 0.00 0.00 34.95 32.55 1gru s ARG 37 CO 0.04 0.17 0.88 0.20 0.00 0.00 0.00 175.30 176.59 1gru s GLY 38 N -2.33 0.08 -0.05 -3.53 0.00 -0.31 -0.78 107.32 100.40 1gru s GLY 38 Ca 0.53 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.93 1gru s GLY 38 CO 0.18 0.48 -0.19 1.85 0.00 0.00 0.00 173.10 175.43 1gru s GLU 39 N -2.82 2.53 0.25 2.90 2.12 -0.16 -0.78 118.70 122.74 1gru s GLU 39 Ca 0.15 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1gru s GLU 39 Cb -0.04 -2.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.97 1gru s GLU 39 CO 0.07 0.52 1.26 0.08 -0.54 0.00 0.00 175.26 176.64 1gru s VAL 40 N -0.47 3.15 0.02 3.70 1.01 0.15 -1.71 120.40 126.25 1gru s VAL 40 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1gru s VAL 40 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1gru s VAL 40 CO 0.01 0.20 0.00 0.18 0.00 0.00 0.00 175.10 175.50 1gru n LEU 41 N 1.78 0.12 -4.18 3.92 4.77 0.20 -1.17 117.00 122.44 1gru n LEU 41 Ca 0.03 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 1gru n LEU 41 Cb 0.43 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1gru n LEU 41 CO 0.57 -0.18 -0.47 0.00 -1.33 0.00 0.00 177.39 175.98 1gru s ALA 42 N -2.00 1.30 -0.09 -1.18 0.00 -0.72 -4.69 121.76 114.39 1gru s ALA 42 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1gru s ALA 42 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1gru s ALA 42 CO 0.00 0.23 -0.16 0.08 0.00 0.00 0.00 175.76 175.91 1gru s VAL 43 N -1.08 1.46 0.55 0.00 1.01 -1.26 -0.68 120.40 120.39 1gru s VAL 43 Ca 0.01 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1gru s VAL 43 Cb -0.09 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1gru s VAL 43 CO 0.02 0.43 1.03 -0.83 0.00 0.00 0.00 175.10 175.75 1gru s GLY 44 N 0.70 2.16 0.15 4.51 0.00 -0.29 -4.67 107.32 109.87 1gru s GLY 44 Ca -0.13 0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.68 1gru s GLY 44 CO 0.03 0.64 1.33 0.70 0.00 0.00 0.00 173.10 175.81 1gru n ASN 45 N -1.70 -0.86 0.00 1.64 3.02 -1.26 -3.93 115.26 112.17 1gru n ASN 45 Ca 0.08 1.53 0.00 0.00 -0.03 0.00 0.00 54.58 56.16 1gru n ASN 45 Cb 0.53 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1gru n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gru n GLY 46 N -1.25 3.98 3.32 7.41 0.00 -1.26 -4.05 105.19 113.34 1gru n GLY 46 Ca 0.03 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1gru n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gru n ARG 47 N -1.33 0.15 0.00 1.61 0.63 -0.54 -4.09 116.66 113.10 1gru n ARG 47 Ca 0.00 0.06 0.01 0.00 -0.92 0.00 0.00 57.85 57.00 1gru n ARG 47 Cb 0.00 -1.19 0.01 0.00 0.45 0.00 0.00 32.46 31.73 1gru n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1gru n ILE 48 N -1.49 0.00 -1.00 5.15 5.41 -1.26 -2.00 119.36 124.17 1gru n ILE 48 Ca 0.09 -0.49 -0.37 0.00 1.00 0.00 0.00 62.75 62.98 1gru n ILE 48 Cb 0.46 1.06 0.04 0.00 -0.71 0.00 0.00 39.64 40.49 1gru n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1gru n LEU 49 N 0.04 -4.73 -4.07 1.39 4.77 -1.26 -3.33 117.00 109.81 1gru n LEU 49 Ca 0.02 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 1gru n LEU 49 Cb 0.07 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1gru n LEU 49 CO 0.02 -4.52 -0.04 1.21 -1.33 0.00 0.00 177.39 172.73 1gru n GLU 50 N 2.50 -2.85 0.00 3.23 2.13 -1.26 -4.36 120.64 120.02 1gru n GLU 50 Ca -0.02 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1gru n GLU 50 Cb 0.65 -5.05 0.00 0.00 0.27 0.00 0.00 31.44 27.31 1gru n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1gru n ASN 51 N -2.52 0.00 -4.37 4.31 5.15 -1.21 -4.68 115.26 111.93 1gru n ASN 51 Ca 0.07 0.00 -0.51 0.00 -0.60 0.00 0.00 54.58 53.54 1gru n ASN 51 Cb 0.49 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.61 1gru n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gru n GLY 52 N 0.00 -0.27 3.52 8.20 0.00 -1.26 -4.55 105.19 110.83 1gru n GLY 52 Ca 0.00 1.12 0.08 0.00 0.00 0.00 0.00 46.02 47.23 1gru n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gru n GLU 53 N 8.00 -1.25 -3.38 1.61 4.71 -1.26 -4.81 120.64 124.25 1gru n GLU 53 Ca 0.59 0.83 -0.25 0.00 -0.01 0.00 0.00 57.16 58.31 1gru n GLU 53 Cb 0.01 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 28.82 1gru n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1gru s VAL 54 N -1.11 0.07 0.04 2.62 1.01 -1.26 -4.71 120.40 117.07 1gru s VAL 54 Ca 0.00 -1.91 -0.36 0.00 0.00 0.00 0.00 61.98 59.71 1gru s VAL 54 Cb 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 36.38 35.19 1gru s VAL 54 CO 0.00 -0.97 1.50 2.29 0.00 0.00 0.00 175.10 177.93 1gru n LYS 55 N 3.57 1.51 -0.97 2.72 0.00 -0.85 -4.73 118.16 119.41 1gru n LYS 55 Ca 0.19 0.55 -0.29 0.00 -0.00 0.00 0.00 58.31 58.76 1gru n LYS 55 Cb 0.43 -2.25 0.19 0.00 -0.00 0.00 0.00 35.03 33.41 1gru n LYS 55 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1gru s PRO 56 N 1.30 0.23 -0.10 -1.58 0.04 -1.26 -1.46 135.00 132.17 1gru s PRO 56 Ca 0.85 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 1gru s PRO 56 Cb -0.87 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1gru s PRO 56 CO 0.47 -2.92 0.21 -0.51 0.04 0.00 0.00 177.00 174.29 1gru s LEU 57 N -6.64 4.39 -0.01 -3.56 1.43 -1.26 -4.73 118.68 108.31 1gru s LEU 57 Ca 0.66 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1gru s LEU 57 Cb -0.21 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1gru s LEU 57 CO 0.60 0.36 0.95 0.47 0.23 0.00 0.00 176.35 178.95 1gru n ASP 58 N 2.15 2.75 -3.57 2.29 9.92 -1.26 -4.65 116.55 124.17 1gru n ASP 58 Ca -0.18 -2.02 -0.29 0.00 -0.53 0.00 0.00 54.79 51.77 1gru n ASP 58 Cb 0.54 -0.50 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 1gru n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1gru s VAL 59 N -0.18 0.13 0.79 2.53 -7.23 -1.26 -5.13 120.40 110.04 1gru s VAL 59 Ca 0.01 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 1gru s VAL 59 Cb 0.01 -1.12 0.07 0.00 0.56 0.00 0.00 36.38 35.90 1gru s VAL 59 CO 0.00 -0.74 1.17 -1.59 -0.31 0.00 0.00 175.10 173.64 1gru s LYS 60 N 1.94 1.85 0.03 4.82 -2.85 -1.26 -4.88 119.74 119.39 1gru s LYS 60 Ca 0.10 1.62 -0.30 0.00 -1.00 0.00 0.00 55.97 56.38 1gru s LYS 60 Cb -0.17 -1.81 -0.08 0.00 -2.06 0.00 0.00 37.83 33.71 1gru s LYS 60 CO -0.33 -2.03 1.72 0.08 0.10 0.00 0.00 175.35 174.90 1gru s VAL 61 N -2.30 3.15 0.00 1.79 1.01 -1.26 -2.99 120.40 119.80 1gru s VAL 61 Ca 0.70 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1gru s VAL 61 Cb -0.26 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1gru s VAL 61 CO 0.50 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1gru n GLY 62 N 4.15 1.06 3.50 4.51 0.00 -0.31 -4.96 105.19 113.13 1gru n GLY 62 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1gru n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gru n ASP 63 N 0.00 -1.11 -4.54 1.61 8.00 -1.16 -4.28 116.55 115.06 1gru n ASP 63 Ca 0.00 0.44 -0.38 0.00 0.71 0.00 0.00 54.79 55.56 1gru n ASP 63 Cb 0.00 -1.29 -0.11 0.00 -0.02 0.00 0.00 41.12 39.70 1gru n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gru s ILE 64 N -2.26 5.07 0.11 0.53 1.01 -1.26 -0.67 121.20 123.73 1gru s ILE 64 Ca 0.63 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.29 1gru s ILE 64 Cb -0.26 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1gru s ILE 64 CO 0.61 0.20 -0.08 0.68 0.00 0.00 0.00 174.94 176.36 1gru s VAL 65 N 1.72 0.85 -0.09 2.92 -7.23 0.04 -1.06 120.40 117.55 1gru s VAL 65 Ca 0.06 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1gru s VAL 65 Cb -0.16 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1gru s VAL 65 CO 0.09 -0.82 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.33 1gru s ILE 66 N -3.48 3.44 0.07 -0.62 1.01 -0.76 -1.16 121.20 119.70 1gru s ILE 66 Ca 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1gru s ILE 66 Cb 0.04 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1gru s ILE 66 CO -0.03 0.57 0.03 0.72 0.00 0.00 0.00 174.94 176.23 1gru s PHE 67 N -0.41 0.51 -0.60 3.97 -0.12 -1.08 -1.57 117.98 118.68 1gru s PHE 67 Ca 0.05 -1.01 -0.22 0.00 -0.05 0.00 0.00 56.93 55.70 1gru s PHE 67 Cb -0.12 -0.34 0.06 0.00 -0.63 0.00 0.00 43.02 41.99 1gru s PHE 67 CO 0.02 -0.44 0.88 1.21 -0.05 0.00 0.00 175.22 176.85 1gru s ASN 68 N -2.93 6.23 -1.17 1.98 3.84 -0.74 -4.86 114.94 117.29 1gru s ASN 68 Ca 0.09 -0.84 -0.23 0.00 0.21 0.00 0.00 52.86 52.10 1gru s ASN 68 Cb 0.07 -2.39 -0.08 0.00 -0.55 0.00 0.00 41.25 38.30 1gru s ASN 68 CO -0.08 -1.27 1.93 -0.62 -2.79 0.00 0.00 177.10 174.26 1gru s ASP 69 N 3.29 5.12 0.00 -4.21 -1.08 -1.26 -4.83 116.67 113.69 1gru s ASP 69 Ca 0.22 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 1gru s ASP 69 Cb -0.17 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1gru s ASP 69 CO 0.13 -2.98 0.00 0.61 0.52 0.00 0.00 175.17 173.45 1gru n GLY 70 N 5.87 2.58 0.18 2.66 0.00 -1.26 -4.99 105.19 110.23 1gru n GLY 70 Ca 0.45 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1gru n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gru h TYR 71 N 0.00 -0.32 0.00 1.61 3.20 -2.02 -3.17 116.97 116.26 1gru h TYR 71 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1gru h TYR 71 Cb 0.00 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1gru h TYR 71 CO 0.00 0.02 0.68 0.78 -1.64 0.00 0.00 178.16 178.00 1gru h GLY 72 N -0.94 0.00 -4.75 1.82 0.00 -1.93 -3.38 103.07 93.90 1gru h GLY 72 Ca -0.04 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.74 1gru h GLY 72 CO 0.06 0.00 0.07 0.14 0.00 0.00 0.00 176.54 176.81 1gru s VAL 73 N -3.33 4.83 0.42 4.60 1.01 -1.20 -4.26 120.40 122.47 1gru s VAL 73 Ca -0.01 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1gru s VAL 73 Cb 0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1gru s VAL 73 CO 0.04 0.38 0.09 -0.54 0.00 0.00 0.00 175.10 175.07 1gru s LYS 74 N -0.07 1.95 0.07 2.72 -0.14 -1.05 -4.90 119.74 118.32 1gru s LYS 74 Ca 0.35 -2.19 0.04 0.00 -1.36 0.00 0.00 55.97 52.81 1gru s LYS 74 Cb -0.19 -0.89 -0.03 0.00 -1.68 0.00 0.00 37.83 35.04 1gru s LYS 74 CO 0.20 -0.40 -0.12 0.45 -0.76 0.00 0.00 175.35 174.72 1gru s SER 75 N -3.65 1.43 0.12 2.83 0.15 -1.26 -2.17 113.70 111.15 1gru s SER 75 Ca 0.22 -0.63 -0.18 0.00 0.70 0.00 0.00 55.95 56.06 1gru s SER 75 Cb 0.03 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1gru s SER 75 CO 0.12 -0.14 0.45 -1.61 1.20 0.00 0.00 173.24 173.26 1gru s GLU 76 N -1.85 1.09 -0.34 5.44 0.41 -0.60 -4.99 118.70 117.87 1gru s GLU 76 Ca -0.03 -0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 53.87 1gru s GLU 76 Cb -0.09 0.49 0.05 0.00 -1.78 0.00 0.00 34.13 32.79 1gru s GLU 76 CO 0.01 -0.43 0.11 0.21 -0.49 0.00 0.00 175.26 174.67 1gru s LYS 77 N -3.58 2.57 -0.28 1.61 2.47 -1.25 -1.74 119.74 119.54 1gru s LYS 77 Ca 0.01 -1.24 -0.02 0.00 -1.56 0.00 0.00 55.97 53.17 1gru s LYS 77 Cb 0.01 -3.46 0.04 0.00 -1.46 0.00 0.00 37.83 32.96 1gru s LYS 77 CO -0.11 -0.70 -0.02 0.42 0.16 0.00 0.00 175.35 175.10 1gru s ILE 78 N 1.38 2.97 -0.36 5.43 1.09 -0.35 -4.42 121.20 126.94 1gru s ILE 78 Ca -0.01 -1.22 0.00 0.00 -1.10 0.00 0.00 60.65 58.32 1gru s ILE 78 Cb -0.20 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.58 1gru s ILE 78 CO 0.02 0.02 0.00 0.47 -0.10 0.00 0.00 174.94 175.35 1gru n ASP 79 N 4.65 -4.69 -0.23 3.58 8.00 -1.26 -2.08 116.55 124.52 1gru n ASP 79 Ca -0.15 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1gru n ASP 79 Cb 0.45 -2.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.06 1gru n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1gru n ASN 80 N -0.43 -0.97 -4.17 -2.24 2.85 -1.26 -5.11 115.26 103.93 1gru n ASN 80 Ca -0.03 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.25 1gru n ASN 80 Cb 0.32 -0.26 -0.12 0.00 1.24 0.00 0.00 39.78 40.97 1gru n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1gru s GLU 81 N -2.56 0.83 0.17 1.20 8.01 -0.88 -5.08 118.70 120.39 1gru s GLU 81 Ca 0.00 -0.97 -0.30 0.00 0.01 0.00 0.00 54.97 53.71 1gru s GLU 81 Cb 0.00 -0.82 -0.07 0.00 -4.31 0.00 0.00 34.13 28.93 1gru s GLU 81 CO 0.00 0.18 1.06 -1.21 0.01 0.00 0.00 175.26 175.30 1gru s GLU 82 N -1.82 4.63 -0.05 1.61 0.41 -1.26 -1.21 118.70 121.01 1gru s GLU 82 Ca -0.01 1.65 -0.11 0.00 -0.41 0.00 0.00 54.97 56.09 1gru s GLU 82 Cb -0.10 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1gru s GLU 82 CO 0.02 0.14 0.25 0.14 -0.49 0.00 0.00 175.26 175.32 1gru s VAL 83 N -0.28 0.03 0.18 2.63 -7.23 -0.71 -4.79 120.40 110.24 1gru s VAL 83 Ca 0.48 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.44 1gru s VAL 83 Cb -0.28 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1gru s VAL 83 CO 0.34 -0.16 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.20 1gru s LEU 84 N -0.61 3.28 -0.18 1.32 1.02 0.82 -1.55 118.68 122.77 1gru s LEU 84 Ca -0.07 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.61 1gru s LEU 84 Cb -0.04 -1.92 0.06 0.00 0.02 0.00 0.00 46.19 44.31 1gru s LEU 84 CO 0.02 0.08 0.05 -0.63 0.02 0.00 0.00 176.35 175.89 1gru s ILE 85 N -1.77 0.31 0.28 -0.59 1.01 -0.92 -1.89 121.20 117.62 1gru s ILE 85 Ca 0.28 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1gru s ILE 85 Cb -0.09 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1gru s ILE 85 CO 0.18 -0.23 0.20 1.15 0.00 0.00 0.00 174.94 176.24 1gru n MET 86 N 5.13 0.40 -3.78 2.79 0.00 -0.99 -2.52 117.12 118.16 1gru n MET 86 Ca -0.08 -2.67 -0.26 0.00 0.00 0.00 0.00 57.70 54.69 1gru n MET 86 Cb 0.48 2.01 -0.03 0.00 0.00 0.00 0.00 33.22 35.68 1gru n MET 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1gru s SER 87 N -2.88 6.35 0.62 3.17 1.04 -1.26 0.14 113.70 120.88 1gru s SER 87 Ca 0.28 0.28 0.24 0.00 0.48 0.00 0.00 55.95 57.23 1gru s SER 87 Cb 0.01 -1.96 1.08 0.00 0.10 0.00 0.00 66.02 65.25 1gru s SER 87 CO 0.20 -0.05 1.55 -0.08 0.98 0.00 0.00 173.24 175.84 1gru h GLU 88 N 1.77 0.00 -0.01 4.02 4.81 -1.67 0.17 114.58 123.67 1gru h GLU 88 Ca -0.49 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1gru h GLU 88 Cb 1.20 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1gru h GLU 88 CO 0.66 0.00 -0.30 0.77 -0.73 0.00 0.00 179.01 179.42 1gru h SER 89 N 0.00 -0.92 -0.28 1.04 0.02 -1.91 -0.92 113.55 110.58 1gru h SER 89 Ca 0.24 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.37 1gru h SER 89 Cb 1.83 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.71 1gru h SER 89 CO -0.00 -0.29 0.55 0.44 -1.14 0.00 0.00 176.83 176.39 1gru h ASP 90 N -0.37 0.00 -3.40 3.07 3.32 -1.01 -3.41 116.42 114.62 1gru h ASP 90 Ca 0.01 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.52 1gru h ASP 90 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1gru h ASP 90 CO -0.20 0.00 0.39 -0.63 -1.72 0.00 0.00 179.24 177.07 1gru s ILE 91 N -4.33 4.78 -0.26 0.35 1.01 -0.35 -1.79 121.20 120.62 1gru s ILE 91 Ca -0.03 2.01 -0.12 0.00 0.00 0.00 0.00 60.65 62.50 1gru s ILE 91 Cb 0.11 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 1gru s ILE 91 CO 0.37 0.16 -0.24 0.18 0.00 0.00 0.00 174.94 175.41 1gru n LEU 92 N 3.86 2.12 -3.93 2.97 4.77 -0.61 -4.98 117.00 121.20 1gru n LEU 92 Ca 0.06 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1gru n LEU 92 Cb 0.51 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1gru n LEU 92 CO 0.52 0.60 0.36 0.00 -1.33 0.00 0.00 177.39 177.54 1gru s ALA 93 N -2.49 -0.21 -0.12 -1.18 0.00 -1.18 -5.03 121.76 111.55 1gru s ALA 93 Ca -0.37 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1gru s ALA 93 Cb 0.13 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.16 1gru s ALA 93 CO 0.53 -0.91 -0.12 0.42 0.00 0.00 0.00 175.76 175.68 1gru s ILE 94 N -2.86 1.31 -0.13 0.00 1.01 -1.26 -1.82 121.20 117.45 1gru s ILE 94 Ca 0.21 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1gru s ILE 94 Cb -0.03 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1gru s ILE 94 CO 0.14 0.41 1.50 -0.69 0.00 0.00 0.00 174.94 176.29 1gru s VAL 95 N 1.39 3.87 0.00 2.92 1.01 -0.22 -4.96 120.40 124.41 1gru s VAL 95 Ca 0.01 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1gru s VAL 95 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1gru s VAL 95 CO -0.06 -0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.28 1gru n GLU 96 N 7.03 3.84 0.00 2.72 1.02 -1.26 -4.55 120.64 129.43 1gru n GLU 96 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1gru n GLU 96 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31