#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 3.09 0.46 7.83 4.22 -1.26 -4.73 114.94 124.55 1gru s ASN 2 Ca 0.00 -0.98 -0.05 0.00 -2.14 0.00 0.00 52.86 49.69 1gru s ASN 2 Cb 0.00 -0.22 -0.04 0.00 1.28 0.00 0.00 41.25 42.27 1gru s ASN 2 CO 0.00 -0.03 0.76 0.27 -2.04 0.00 0.00 177.10 176.06 1gru s ILE 3 N -2.50 4.92 -0.24 0.54 -5.25 -1.26 -5.09 121.20 112.32 1gru s ILE 3 Ca 0.24 0.17 -0.01 0.00 -0.99 0.00 0.00 60.65 60.06 1gru s ILE 3 Cb -0.04 -3.85 0.07 0.00 2.95 0.00 0.00 42.46 41.59 1gru s ILE 3 CO 0.10 -0.80 0.02 -0.60 -1.79 0.00 0.00 174.94 171.88 1gru s ARG 4 N -4.63 1.01 1.14 0.37 6.06 -1.26 -4.98 118.95 116.66 1gru s ARG 4 Ca 0.47 -0.82 -0.17 0.00 -2.50 0.00 0.00 55.73 52.70 1gru s ARG 4 Cb -0.10 -2.27 0.19 0.00 0.06 0.00 0.00 34.95 32.82 1gru s ARG 4 CO 0.43 -0.73 0.32 -0.35 -2.50 0.00 0.00 175.30 172.48 1gru n PRO 5 N 4.85 -2.46 -3.42 5.12 -0.04 -1.26 -4.97 135.00 132.82 1gru n PRO 5 Ca -0.08 -0.72 -0.26 0.00 -0.04 0.00 0.00 63.50 62.40 1gru n PRO 5 Cb 0.45 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1gru n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1gru n LEU 6 N -2.41 2.59 -1.63 1.53 -0.00 -1.26 -4.76 117.00 111.06 1gru n LEU 6 Ca 0.05 -5.18 0.00 0.00 -0.00 0.00 0.00 56.01 50.88 1gru n LEU 6 Cb 0.51 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1gru n LEU 6 CO 0.40 2.01 -0.14 0.00 -0.00 0.00 0.00 177.39 179.67 1gru n HIS 7 N 1.22 -1.43 0.00 1.96 1.44 -1.26 -4.00 115.22 113.15 1gru n HIS 7 Ca 0.27 0.75 0.00 0.00 -2.01 0.00 0.00 57.72 56.73 1gru n HIS 7 Cb 0.44 -1.43 0.00 0.00 0.12 0.00 0.00 29.99 29.12 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 0.62 0.00 -4.69 4.39 2.03 -1.25 -4.69 116.55 112.96 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 4.27 -0.05 -0.67 1.81 -1.26 -1.45 118.95 121.60 1gru s ARG 9 Ca 0.00 2.01 0.04 0.00 -1.72 0.00 0.00 55.73 56.07 1gru s ARG 9 Cb 0.00 -3.57 -0.02 0.00 -0.45 0.00 0.00 34.95 30.91 1gru s ARG 9 CO 0.00 -0.59 -0.18 0.08 -0.68 0.00 0.00 175.30 173.92 1gru s VAL 10 N 2.42 2.70 -0.24 3.52 1.01 0.34 -1.55 120.40 128.59 1gru s VAL 10 Ca 0.65 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1gru s VAL 10 Cb -0.32 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1gru s VAL 10 CO 0.27 0.58 0.13 -0.63 0.00 0.00 0.00 175.10 175.45 1gru s ILE 11 N -0.50 5.06 0.34 2.22 1.01 -0.66 -2.02 121.20 126.66 1gru s ILE 11 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1gru s ILE 11 Cb -0.12 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1gru s ILE 11 CO 0.01 0.34 0.12 0.68 0.00 0.00 0.00 174.94 176.09 1gru s VAL 12 N 1.20 0.66 -0.12 2.92 -7.23 0.92 0.19 120.40 118.94 1gru s VAL 12 Ca 0.06 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1gru s VAL 12 Cb -0.14 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1gru s VAL 12 CO 0.05 0.00 0.05 -1.59 -0.31 0.00 0.00 175.10 173.30 1gru s LYS 13 N -3.83 0.25 1.08 4.82 -2.85 -1.07 0.13 119.74 118.27 1gru s LYS 13 Ca 0.32 0.02 -0.15 0.00 -1.00 0.00 0.00 55.97 55.16 1gru s LYS 13 Cb 0.06 -1.34 0.24 0.00 -2.06 0.00 0.00 37.83 34.73 1gru s LYS 13 CO 0.15 -0.49 0.54 -2.13 0.10 0.00 0.00 175.35 173.52 1gru n ARG 14 N 5.21 -2.46 -0.88 1.78 0.63 -1.26 -2.34 116.66 117.33 1gru n ARG 14 Ca -0.06 -0.91 0.00 0.00 -0.92 0.00 0.00 57.85 55.96 1gru n ARG 14 Cb 0.49 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.90 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 -2.76 1.29 -1.70 -0.14 5.02 -0.85 -4.75 118.16 114.27 1gru n LYS 15 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1gru n LYS 15 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 1gru n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gru s GLU 16 N -0.33 3.05 -0.10 1.97 0.41 -1.26 -4.67 118.70 117.77 1gru s GLU 16 Ca 0.00 1.79 -0.29 0.00 -0.41 0.00 0.00 54.97 56.05 1gru s GLU 16 Cb 0.00 -4.36 -0.05 0.00 -1.78 0.00 0.00 34.13 27.94 1gru s GLU 16 CO 0.00 -2.20 1.64 0.08 -0.49 0.00 0.00 175.26 174.28 1gru s VAL 17 N 8.45 3.63 -1.31 2.63 1.01 -1.26 -3.66 120.40 129.90 1gru s VAL 17 Ca 0.95 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 1gru s VAL 17 Cb -0.28 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1gru s VAL 17 CO 0.33 -0.11 0.52 -0.62 0.00 0.00 0.00 175.10 175.22 1gru n GLU 18 N 7.24 -1.52 -1.71 2.72 1.02 -1.26 -4.84 120.64 122.28 1gru n GLU 18 Ca 0.18 0.28 -0.43 0.00 -0.02 0.00 0.00 57.16 57.17 1gru n GLU 18 Cb 0.43 -3.72 -0.03 0.00 -0.02 0.00 0.00 31.44 28.10 1gru n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1gru n THR 19 N -4.55 0.15 -1.91 2.62 -1.04 -1.24 -4.61 114.28 103.70 1gru n THR 19 Ca -0.20 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 1gru n THR 19 Cb 0.63 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1gru n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1gru s LYS 20 N 0.89 2.43 0.00 -2.82 3.01 -1.25 -4.07 119.74 117.93 1gru s LYS 20 Ca 0.74 0.58 0.00 0.00 -1.01 0.00 0.00 55.97 56.28 1gru s LYS 20 Cb -0.53 -4.59 0.00 0.00 -1.01 0.00 0.00 37.83 31.70 1gru s LYS 20 CO 0.35 -3.10 0.00 -1.13 0.51 0.00 0.00 175.35 171.99 1gru n SER 21 N 14.06 0.00 -4.71 2.83 3.41 -1.18 -4.66 113.62 123.37 1gru n SER 21 Ca 0.29 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.58 1gru n SER 21 Cb 0.51 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.59 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 1.81 -0.91 7.33 0.00 -1.23 -2.73 121.76 126.03 1gru s ALA 22 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1gru s ALA 22 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1gru s ALA 22 CO 0.00 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 173.86 1gru n GLY 23 N 0.00 1.03 7.00 0.00 0.00 -1.26 -3.78 105.19 108.18 1gru n GLY 23 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.72 2.42 0.30 -0.02 0.00 -1.10 -3.38 105.19 101.69 1gru n GLY 24 Ca -0.09 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.93 -1.78 -0.61 2.04 -1.81 -3.43 117.51 112.84 1gru h ILE 25 Ca 0.00 -0.02 -0.66 0.00 1.00 0.00 0.00 64.86 65.17 1gru h ILE 25 Cb 0.00 0.86 0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1gru h ILE 25 CO 0.00 0.01 0.49 0.52 0.00 0.00 0.00 178.15 179.17 1gru n VAL 26 N -4.49 0.06 -3.02 1.67 0.31 -1.22 -4.89 118.33 106.75 1gru n VAL 26 Ca 0.02 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1gru n VAL 26 Cb 0.25 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 2.61 5.82 -4.52 7.52 0.00 -1.26 -3.09 117.00 124.08 1gru n LEU 27 Ca 0.18 -4.88 -0.43 0.00 0.00 0.00 0.00 56.01 50.88 1gru n LEU 27 Cb 0.21 -1.47 -0.06 0.00 0.00 0.00 0.00 43.42 42.11 1gru n LEU 27 CO 0.62 1.28 1.93 1.07 0.00 0.00 0.00 177.39 182.30 1gru n THR 28 N 2.93 0.12 -0.80 1.96 5.66 -1.26 -4.89 114.28 118.00 1gru n THR 28 Ca 0.30 -0.46 -0.28 0.00 -3.05 0.00 0.00 64.05 60.56 1gru n THR 28 Cb 0.38 -2.13 0.23 0.00 -1.55 0.00 0.00 70.33 67.26 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 9.30 1.54 -0.80 1.09 0.00 -1.26 -3.96 107.32 113.23 1gru s GLY 29 Ca 1.07 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 45.26 1gru s GLY 29 CO 0.38 0.41 1.19 -0.45 0.00 0.00 0.00 173.10 174.64 1gru s SER 30 N -2.93 6.30 0.00 1.64 0.15 -1.26 -4.89 113.70 112.71 1gru s SER 30 Ca 0.67 -1.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1gru s SER 30 Cb -0.22 -2.49 -0.12 0.00 -1.71 0.00 0.00 66.02 61.47 1gru s SER 30 CO 0.62 -1.53 2.51 0.00 1.20 0.00 0.00 173.24 176.04 1gru n ALA 31 N 8.34 4.72 -2.49 5.45 0.00 -1.26 -4.61 120.51 130.66 1gru n ALA 31 Ca 0.10 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1gru n ALA 31 Cb 0.48 -1.74 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 2.08 -0.43 -4.05 0.00 0.00 -1.26 -5.05 120.51 111.79 1gru n ALA 32 Ca 0.19 0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 1gru n ALA 32 Cb 0.63 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.28 0.70 -3.70 0.00 0.00 -1.26 -5.17 120.51 108.81 1gru n ALA 33 Ca -0.08 -2.08 -0.09 0.00 0.00 0.00 0.00 53.44 51.19 1gru n ALA 33 Cb 0.57 0.92 -0.03 0.00 0.00 0.00 0.00 19.45 20.92 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 -1.58 0.61 -4.19 0.00 3.00 -1.26 -4.78 118.16 109.95 1gru n LYS 34 Ca -0.06 -1.17 -0.27 0.00 -0.00 0.00 0.00 58.31 56.81 1gru n LYS 34 Cb 0.59 0.74 -0.08 0.00 0.00 0.00 0.00 35.03 36.28 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 -1.84 4.85 0.00 3.14 0.15 -1.26 -4.23 113.70 114.50 1gru s SER 35 Ca 0.09 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1gru s SER 35 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1gru s SER 35 CO 0.06 0.09 0.00 0.35 1.20 0.00 0.00 173.24 174.95 1gru n THR 36 N -0.11 0.00 -2.43 6.45 -2.24 -1.26 -4.87 114.28 109.83 1gru n THR 36 Ca -0.10 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1gru n THR 36 Cb 0.55 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.32 3.71 0.24 -0.78 3.00 -1.26 -2.84 118.95 119.70 1gru s ARG 37 Ca 0.00 0.59 -0.22 0.00 0.00 0.00 0.00 55.73 56.10 1gru s ARG 37 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 34.95 32.75 1gru s ARG 37 CO 0.00 -0.28 0.83 0.20 0.00 0.00 0.00 175.30 176.05 1gru s GLY 38 N -3.65 -0.11 -0.08 -3.53 0.00 -0.12 -2.01 107.32 97.82 1gru s GLY 38 Ca 0.53 -0.17 0.05 0.00 0.00 0.00 0.00 44.72 45.12 1gru s GLY 38 CO 0.41 0.01 -0.24 1.85 0.00 0.00 0.00 173.10 175.13 1gru s GLU 39 N -3.53 2.83 0.32 2.90 2.12 -0.99 -0.67 118.70 121.69 1gru s GLU 39 Ca 0.12 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 1gru s GLU 39 Cb -0.04 -2.25 -0.10 0.00 0.26 0.00 0.00 34.13 32.00 1gru s GLU 39 CO 0.05 0.28 1.37 0.08 -0.54 0.00 0.00 175.26 176.50 1gru s VAL 40 N 0.10 2.57 0.00 3.70 1.01 -0.30 -2.59 120.40 124.89 1gru s VAL 40 Ca -0.11 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1gru s VAL 40 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1gru s VAL 40 CO 0.06 0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.47 1gru n LEU 41 N 1.06 0.96 -4.14 3.92 4.77 0.13 -0.89 117.00 122.80 1gru n LEU 41 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1gru n LEU 41 Cb 0.41 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1gru n LEU 41 CO 0.60 0.11 -0.45 0.00 -1.33 0.00 0.00 177.39 176.33 1gru s ALA 42 N -1.94 1.07 -0.14 -1.18 0.00 -0.98 -4.71 121.76 113.88 1gru s ALA 42 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1gru s ALA 42 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1gru s ALA 42 CO 0.00 0.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 1gru s VAL 43 N -1.17 1.26 0.83 0.00 1.01 -1.26 -1.65 120.40 119.41 1gru s VAL 43 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1gru s VAL 43 Cb -0.09 -1.27 0.09 0.00 0.00 0.00 0.00 36.38 35.11 1gru s VAL 43 CO 0.02 0.34 1.11 -0.83 0.00 0.00 0.00 175.10 175.74 1gru s GLY 44 N 1.60 1.67 0.02 4.51 0.00 -0.60 -4.77 107.32 109.76 1gru s GLY 44 Ca 0.04 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.04 1gru s GLY 44 CO -0.09 0.72 1.09 3.43 0.00 0.00 0.00 173.10 178.25 1gru h ASN 45 N -1.41 -0.34 0.00 1.64 2.35 -1.87 -3.37 115.58 112.58 1gru h ASN 45 Ca -0.44 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1gru h ASN 45 Cb 1.25 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1gru h ASN 45 CO 0.49 -0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.82 1gru n GLY 46 N -1.05 2.22 3.54 2.83 0.00 -1.26 -3.69 105.19 107.78 1gru n GLY 46 Ca -0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.77 0.38 -0.00 1.61 0.63 -0.85 -3.77 116.66 113.88 1gru n ARG 47 Ca 0.00 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1gru n ARG 47 Cb 0.00 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 30.90 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 -2.48 0.44 -1.06 5.15 5.41 -1.26 -2.78 119.36 122.76 1gru n ILE 48 Ca 0.11 -0.72 -0.35 0.00 1.00 0.00 0.00 62.75 62.79 1gru n ILE 48 Cb 0.50 0.79 0.08 0.00 -0.71 0.00 0.00 39.64 40.29 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 -0.19 -0.97 -2.57 1.39 4.77 -1.26 -3.49 117.00 114.68 1gru n LEU 49 Ca 0.00 0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 56.22 1gru n LEU 49 Cb 0.12 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1gru n LEU 49 CO 0.00 -3.89 -0.19 1.21 -1.33 0.00 0.00 177.39 173.19 1gru n GLU 50 N -0.35 -2.50 0.00 3.23 2.13 -1.26 -4.50 120.64 117.39 1gru n GLU 50 Ca 0.07 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1gru n GLU 50 Cb 0.52 -5.62 0.00 0.00 0.27 0.00 0.00 31.44 26.60 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 -2.11 0.00 -4.50 4.31 5.15 -1.23 -4.75 115.26 112.14 1gru n ASN 51 Ca -0.20 0.00 -0.53 0.00 -0.60 0.00 0.00 54.58 53.26 1gru n ASN 51 Cb 0.66 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.84 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 0.58 1.46 8.20 0.00 -1.26 -4.69 105.19 109.48 1gru n GLY 52 Ca 0.00 0.94 0.19 0.00 0.00 0.00 0.00 46.02 47.15 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 7.52 -3.10 -3.69 1.61 4.71 -1.26 -4.83 120.64 121.60 1gru n GLU 53 Ca 0.38 2.26 -0.29 0.00 -0.01 0.00 0.00 57.16 59.50 1gru n GLU 53 Cb 0.19 -3.72 -0.12 0.00 -1.01 0.00 0.00 31.44 26.78 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 -3.05 1.56 0.01 2.62 1.01 -1.26 -4.72 120.40 116.57 1gru s VAL 54 Ca 0.00 -3.04 -0.36 0.00 0.00 0.00 0.00 61.98 58.58 1gru s VAL 54 Cb 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 36.38 34.16 1gru s VAL 54 CO 0.00 -1.00 1.55 2.29 0.00 0.00 0.00 175.10 177.94 1gru n LYS 55 N 2.96 1.53 -0.61 2.72 0.00 -1.12 -4.77 118.16 118.87 1gru n LYS 55 Ca 0.16 0.56 -0.29 0.00 -0.00 0.00 0.00 58.31 58.74 1gru n LYS 55 Cb 0.38 -2.26 0.26 0.00 -0.00 0.00 0.00 35.03 33.40 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 1.65 -1.59 -0.13 -1.58 0.04 -1.26 -2.00 135.00 130.11 1gru s PRO 56 Ca 0.87 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1gru s PRO 56 Cb -0.87 -1.51 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1gru s PRO 56 CO 0.49 -4.07 0.13 -0.51 0.04 0.00 0.00 177.00 173.08 1gru s LEU 57 N -7.35 4.29 0.00 -3.56 1.43 -1.24 -4.67 118.68 107.58 1gru s LEU 57 Ca 0.68 0.39 0.17 0.00 -1.03 0.00 0.00 54.13 54.35 1gru s LEU 57 Cb -0.18 -2.05 1.02 0.00 0.03 0.00 0.00 46.19 45.01 1gru s LEU 57 CO 0.61 0.36 1.50 0.47 0.23 0.00 0.00 176.35 179.52 1gru n ASP 58 N 2.30 0.00 -4.19 2.29 9.92 -1.26 -4.70 116.55 120.92 1gru n ASP 58 Ca -0.19 -0.96 -0.34 0.00 -0.53 0.00 0.00 54.79 52.77 1gru n ASP 58 Cb 0.54 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.87 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 -2.00 2.60 0.29 2.53 -7.23 -1.26 -5.10 120.40 110.23 1gru s VAL 59 Ca 0.26 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.32 1gru s VAL 59 Cb 0.12 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1gru s VAL 59 CO 0.20 0.42 0.91 -1.59 -0.31 0.00 0.00 175.10 174.73 1gru s LYS 60 N 1.35 4.59 -0.09 4.82 -2.85 -1.26 -4.90 119.74 121.40 1gru s LYS 60 Ca 0.04 1.29 -0.36 0.00 -1.00 0.00 0.00 55.97 55.93 1gru s LYS 60 Cb -0.14 -2.92 -0.14 0.00 -2.06 0.00 0.00 37.83 32.57 1gru s LYS 60 CO -0.08 0.35 1.73 0.28 0.10 0.00 0.00 175.35 177.73 1gru n VAL 61 N 0.79 0.34 0.00 1.79 0.31 -1.26 -2.08 118.33 118.22 1gru n VAL 61 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1gru n VAL 61 Cb 0.50 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1gru n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gru n GLY 62 N 3.97 1.92 3.46 2.92 0.00 -0.07 -4.94 105.19 112.45 1gru n GLY 62 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.16 -4.60 1.61 8.00 -0.89 -4.21 116.55 115.30 1gru n ASP 63 Ca 0.00 0.66 -0.38 0.00 0.71 0.00 0.00 54.79 55.77 1gru n ASP 63 Cb 0.00 -1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 39.81 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 -1.81 5.24 0.23 0.53 1.01 -1.26 -1.15 121.20 123.99 1gru s ILE 64 Ca 0.67 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1gru s ILE 64 Cb -0.39 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1gru s ILE 64 CO 0.56 0.21 0.11 0.68 0.00 0.00 0.00 174.94 176.50 1gru s VAL 65 N 1.88 0.28 0.02 2.92 -7.23 0.16 -1.10 120.40 117.34 1gru s VAL 65 Ca 0.11 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1gru s VAL 65 Cb -0.16 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1gru s VAL 65 CO 0.10 -0.02 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.00 1gru s ILE 66 N -3.95 2.26 0.15 -0.62 1.01 -1.02 -0.94 121.20 118.08 1gru s ILE 66 Ca 0.38 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1gru s ILE 66 Cb 0.07 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1gru s ILE 66 CO 0.12 0.44 0.23 0.72 0.00 0.00 0.00 174.94 176.45 1gru s PHE 67 N -0.76 0.46 -0.44 3.97 -0.12 -1.13 -1.39 117.98 118.57 1gru s PHE 67 Ca 0.12 -0.84 -0.18 0.00 -0.05 0.00 0.00 56.93 55.97 1gru s PHE 67 Cb -0.10 -0.14 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1gru s PHE 67 CO 0.01 -0.66 0.51 1.21 -0.05 0.00 0.00 175.22 176.25 1gru s ASN 68 N -2.97 6.23 -1.12 1.98 3.84 -0.74 -4.89 114.94 117.28 1gru s ASN 68 Ca 0.17 -0.62 -0.22 0.00 0.21 0.00 0.00 52.86 52.40 1gru s ASN 68 Cb 0.04 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1gru s ASN 68 CO -0.01 -0.67 1.76 -0.62 -2.79 0.00 0.00 177.10 174.77 1gru s ASP 69 N 1.97 5.94 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.15 1gru s ASP 69 Ca 0.15 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 1gru s ASP 69 Cb -0.17 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 1gru s ASP 69 CO 0.15 -2.07 0.00 0.61 0.52 0.00 0.00 175.17 174.38 1gru n GLY 70 N 6.18 2.77 0.17 2.66 0.00 -1.26 -4.99 105.19 110.72 1gru n GLY 70 Ca 0.42 -1.83 -0.09 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 -0.14 1.61 3.20 -2.02 -3.23 116.97 116.07 1gru h TYR 71 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1gru h TYR 71 Cb 0.00 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1gru h TYR 71 CO 0.00 -0.02 0.94 0.78 -1.64 0.00 0.00 178.16 178.22 1gru h GLY 72 N -1.00 0.00 -3.82 1.82 0.00 -1.94 -3.39 103.07 94.73 1gru h GLY 72 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.80 1gru h GLY 72 CO 0.06 0.00 0.33 0.14 0.00 0.00 0.00 176.54 177.07 1gru s VAL 73 N -4.07 4.14 0.39 4.60 1.01 -1.22 -4.45 120.40 120.80 1gru s VAL 73 Ca -0.01 2.05 0.04 0.00 0.00 0.00 0.00 61.98 64.06 1gru s VAL 73 Cb 0.03 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1gru s VAL 73 CO 0.10 0.49 0.16 -0.54 0.00 0.00 0.00 175.10 175.31 1gru s LYS 74 N -1.08 1.89 -0.02 2.72 -0.14 -0.90 -4.91 119.74 117.31 1gru s LYS 74 Ca 0.41 -2.14 -0.04 0.00 -1.36 0.00 0.00 55.97 52.84 1gru s LYS 74 Cb -0.25 -0.38 0.00 0.00 -1.68 0.00 0.00 37.83 35.51 1gru s LYS 74 CO 0.31 -0.52 0.08 0.45 -0.76 0.00 0.00 175.35 174.91 1gru s SER 75 N -3.55 -0.00 0.14 2.83 0.15 -1.26 -1.93 113.70 110.07 1gru s SER 75 Ca 0.27 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1gru s SER 75 Cb 0.02 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1gru s SER 75 CO 0.17 -0.17 0.14 -0.62 1.20 0.00 0.00 173.24 173.96 1gru n GLU 76 N 2.36 0.20 -3.74 5.44 -0.58 -0.95 -4.98 120.64 118.38 1gru n GLU 76 Ca -0.17 -1.32 -0.29 0.00 -0.42 0.00 0.00 57.16 54.96 1gru n GLU 76 Cb 0.58 1.13 -0.16 0.00 -0.57 0.00 0.00 31.44 32.41 1gru n GLU 76 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1gru s LYS 77 N -2.51 0.74 -0.30 3.49 2.47 -1.25 -2.67 119.74 119.72 1gru s LYS 77 Ca 0.15 -0.71 -0.05 0.00 -1.56 0.00 0.00 55.97 53.80 1gru s LYS 77 Cb 0.01 -2.06 0.02 0.00 -1.46 0.00 0.00 37.83 34.33 1gru s LYS 77 CO 0.11 -0.78 0.05 0.42 0.16 0.00 0.00 175.35 175.31 1gru s ILE 78 N 1.74 3.61 -1.20 5.43 1.09 -0.59 -4.37 121.20 126.90 1gru s ILE 78 Ca 0.03 -0.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1gru s ILE 78 Cb -0.17 -2.93 0.00 0.00 -1.06 0.00 0.00 42.46 38.30 1gru s ILE 78 CO -0.15 0.02 0.00 0.47 -0.10 0.00 0.00 174.94 175.17 1gru n ASP 79 N 4.79 -4.72 -0.48 3.58 8.00 -1.26 -2.63 116.55 123.83 1gru n ASP 79 Ca -0.14 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1gru n ASP 79 Cb 0.46 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 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 -0.31 -1.79 -4.08 -2.24 2.85 -1.26 -5.10 115.26 103.33 1gru n ASN 80 Ca -0.11 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.19 1gru n ASN 80 Cb 0.43 -0.45 -0.13 0.00 1.24 0.00 0.00 39.78 40.88 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 -4.40 0.67 0.35 1.20 8.01 -1.08 -5.08 118.70 118.37 1gru s GLU 81 Ca 0.00 -0.67 -0.27 0.00 0.01 0.00 0.00 54.97 54.04 1gru s GLU 81 Cb 0.00 -0.58 -0.09 0.00 -4.31 0.00 0.00 34.13 29.15 1gru s GLU 81 CO 0.00 0.14 1.11 -1.21 0.01 0.00 0.00 175.26 175.31 1gru s GLU 82 N -1.18 4.33 0.01 1.61 0.41 -1.26 -1.55 118.70 121.07 1gru s GLU 82 Ca -0.03 1.75 -0.13 0.00 -0.41 0.00 0.00 54.97 56.15 1gru s GLU 82 Cb -0.08 -2.86 0.02 0.00 -1.78 0.00 0.00 34.13 29.43 1gru s GLU 82 CO 0.01 -0.05 0.27 0.14 -0.49 0.00 0.00 175.26 175.14 1gru s VAL 83 N -1.37 0.07 0.09 2.63 -7.23 -1.09 -4.80 120.40 108.70 1gru s VAL 83 Ca 0.52 -0.60 0.10 0.00 -1.81 0.00 0.00 61.98 60.19 1gru s VAL 83 Cb -0.29 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1gru s VAL 83 CO 0.37 -0.33 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.83 1gru s LEU 84 N -1.60 2.37 -0.20 1.32 1.02 0.35 -2.24 118.68 119.70 1gru s LEU 84 Ca -0.11 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1gru s LEU 84 Cb -0.04 -1.33 0.05 0.00 0.02 0.00 0.00 46.19 44.89 1gru s LEU 84 CO 0.01 0.21 -0.07 -0.63 0.02 0.00 0.00 176.35 175.89 1gru s ILE 85 N -0.98 1.45 0.27 -0.59 1.01 -0.81 -0.06 121.20 121.49 1gru s ILE 85 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1gru s ILE 85 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1gru s ILE 85 CO 0.05 0.08 0.27 0.00 0.00 0.00 0.00 174.94 175.35 1gru s MET 86 N 1.47 1.55 0.37 2.79 0.23 -0.85 -2.12 119.30 122.73 1gru s MET 86 Ca -0.02 -1.75 -0.01 0.00 -1.03 0.00 0.00 55.69 52.89 1gru s MET 86 Cb -0.17 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1gru s MET 86 CO -0.08 -0.57 0.59 -1.54 -2.03 0.00 0.00 175.02 171.39 1gru s SER 87 N -3.23 6.30 0.54 -1.18 1.04 -1.26 0.13 113.70 116.04 1gru s SER 87 Ca 0.37 0.54 0.36 0.00 0.48 0.00 0.00 55.95 57.70 1gru s SER 87 Cb 0.03 -2.07 1.54 0.00 0.10 0.00 0.00 66.02 65.62 1gru s SER 87 CO 0.18 -0.34 1.81 -0.08 0.98 0.00 0.00 173.24 175.80 1gru h GLU 88 N 0.72 0.00 -0.32 4.02 4.81 -1.62 -0.84 114.58 121.34 1gru h GLU 88 Ca -0.49 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 1gru h GLU 88 Cb 1.21 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 1gru h GLU 88 CO 0.62 0.00 -0.45 0.77 -0.73 0.00 0.00 179.01 179.21 1gru h SER 89 N 0.00 -1.51 -0.50 1.04 0.02 -1.91 -0.92 113.55 109.76 1gru h SER 89 Ca 0.54 0.20 0.15 0.00 -0.84 0.00 0.00 61.79 61.83 1gru h SER 89 Cb 2.19 0.62 -0.02 0.00 0.14 0.00 0.00 62.40 65.33 1gru h SER 89 CO -0.01 -0.33 0.46 0.44 -1.14 0.00 0.00 176.83 176.25 1gru h ASP 90 N -0.33 0.00 -3.18 3.07 3.32 -1.50 -3.41 116.42 114.39 1gru h ASP 90 Ca 0.06 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.57 1gru h ASP 90 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1gru h ASP 90 CO -0.48 0.00 0.58 -0.63 -1.72 0.00 0.00 179.24 176.99 1gru s ILE 91 N -4.75 4.13 -0.25 0.35 1.01 -0.35 -1.79 121.20 119.56 1gru s ILE 91 Ca -0.05 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 61.97 1gru s ILE 91 Cb 0.17 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 1gru s ILE 91 CO 0.62 0.09 -0.27 0.18 0.00 0.00 0.00 174.94 175.56 1gru n LEU 92 N 4.19 1.94 0.00 2.97 4.77 -0.49 -4.97 117.00 125.41 1gru n LEU 92 Ca 0.09 0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1gru n LEU 92 Cb 0.47 -0.83 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1gru n LEU 92 CO 0.55 0.38 0.00 0.00 -1.33 0.00 0.00 177.39 177.00 1gru n ALA 93 N -4.14 0.00 -3.70 -1.18 0.00 -1.13 -5.01 120.51 105.35 1gru n ALA 93 Ca -0.44 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1gru n ALA 93 Cb 0.79 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 20.10 1gru n ALA 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gru s ILE 94 N -2.18 -0.16 0.00 0.00 1.01 -1.26 -2.43 121.20 116.18 1gru s ILE 94 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 1gru s ILE 94 Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1gru s ILE 94 CO 0.00 0.12 1.07 -0.69 0.00 0.00 0.00 174.94 175.44 1gru s VAL 95 N 1.79 4.54 0.00 2.92 1.01 -0.26 -4.98 120.40 125.42 1gru s VAL 95 Ca -0.02 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1gru s VAL 95 Cb -0.12 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1gru s VAL 95 CO -0.06 0.12 0.00 -0.62 0.00 0.00 0.00 175.10 174.54 1gru n GLU 96 N 4.13 1.89 0.00 2.72 1.02 -1.26 -4.53 120.64 124.61 1gru n GLU 96 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1gru n GLU 96 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1gru n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31