#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 4.34 0.56 6.12 4.22 -1.26 -4.76 114.94 124.17 1gru s ASN 2 Ca 0.00 -1.12 -0.01 0.00 -2.14 0.00 0.00 52.86 49.59 1gru s ASN 2 Cb 0.00 -0.47 0.03 0.00 1.28 0.00 0.00 41.25 42.09 1gru s ASN 2 CO 0.00 -0.52 0.81 0.27 -2.04 0.00 0.00 177.10 175.62 1gru s ILE 3 N -2.61 2.90 -0.24 0.54 -5.25 -1.26 -5.11 121.20 110.17 1gru s ILE 3 Ca 0.40 -0.52 -0.04 0.00 -0.99 0.00 0.00 60.65 59.51 1gru s ILE 3 Cb 0.05 -3.12 0.09 0.00 2.95 0.00 0.00 42.46 42.43 1gru s ILE 3 CO 0.22 -0.09 0.15 -0.60 -1.79 0.00 0.00 174.94 172.83 1gru s ARG 4 N -4.83 0.16 1.00 0.37 6.06 -1.26 -5.03 118.95 115.43 1gru s ARG 4 Ca 0.56 -0.21 -0.14 0.00 -2.50 0.00 0.00 55.73 53.44 1gru s ARG 4 Cb -0.10 -1.33 0.22 0.00 0.06 0.00 0.00 34.95 33.80 1gru s ARG 4 CO 0.40 -0.84 0.50 -0.35 -2.50 0.00 0.00 175.30 172.50 1gru n PRO 5 N 5.28 -2.30 -3.38 5.12 -0.04 -1.26 -4.98 135.00 133.44 1gru n PRO 5 Ca -0.06 -0.84 -0.26 0.00 -0.04 0.00 0.00 63.50 62.30 1gru n PRO 5 Cb 0.46 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.00 0.76 -1.63 1.53 -0.00 -1.26 -4.84 117.00 111.55 1gru n LEU 6 Ca 0.08 -4.74 0.00 0.00 -0.00 0.00 0.00 56.01 51.35 1gru n LEU 6 Cb 0.35 0.27 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1gru n LEU 6 CO 0.23 1.96 -0.14 0.00 -0.00 0.00 0.00 177.39 179.43 1gru n HIS 7 N 1.91 -1.43 0.00 1.96 1.44 -1.26 -4.13 115.22 113.71 1gru n HIS 7 Ca 0.25 0.75 0.00 0.00 -2.01 0.00 0.00 57.72 56.71 1gru n HIS 7 Cb 0.47 -1.43 0.00 0.00 0.12 0.00 0.00 29.99 29.16 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 -4.77 4.39 2.03 -1.25 -4.72 116.55 112.85 1gru n ASP 8 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 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 4.28 0.00 -0.67 1.81 -1.26 -1.26 118.95 121.86 1gru s ARG 9 Ca 0.00 1.89 0.04 0.00 -1.72 0.00 0.00 55.73 55.94 1gru s ARG 9 Cb 0.00 -2.89 -0.01 0.00 -0.45 0.00 0.00 34.95 31.60 1gru s ARG 9 CO 0.00 -0.14 -0.12 0.08 -0.68 0.00 0.00 175.30 174.44 1gru s VAL 10 N -1.30 0.96 -0.26 3.52 1.01 0.40 -1.33 120.40 123.40 1gru s VAL 10 Ca 0.52 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1gru s VAL 10 Cb -0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1gru s VAL 10 CO 0.42 0.19 0.10 -0.63 0.00 0.00 0.00 175.10 175.17 1gru s ILE 11 N -0.44 4.50 0.40 2.22 1.01 -0.94 -2.39 121.20 125.57 1gru s ILE 11 Ca 0.04 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1gru s ILE 11 Cb -0.05 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1gru s ILE 11 CO -0.00 0.29 0.16 0.68 0.00 0.00 0.00 174.94 176.07 1gru s VAL 12 N 1.64 0.44 -0.05 2.92 -7.23 -0.68 0.34 120.40 117.78 1gru s VAL 12 Ca 0.06 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1gru s VAL 12 Cb -0.15 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.49 1gru s VAL 12 CO 0.05 0.00 0.09 -1.59 -0.31 0.00 0.00 175.10 173.34 1gru s LYS 13 N -3.64 -0.05 1.25 4.82 -2.85 -0.84 -0.73 119.74 117.71 1gru s LYS 13 Ca 0.26 0.42 -0.16 0.00 -1.00 0.00 0.00 55.97 55.49 1gru s LYS 13 Cb 0.02 -0.47 0.30 0.00 -2.06 0.00 0.00 37.83 35.61 1gru s LYS 13 CO 0.17 -0.33 0.86 -2.13 0.10 0.00 0.00 175.35 174.02 1gru n ARG 14 N 5.31 -2.99 -1.53 1.78 0.63 -1.26 -1.67 116.66 116.93 1gru n ARG 14 Ca -0.03 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.04 1gru n ARG 14 Cb 0.50 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.36 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 -4.82 1.65 -1.59 -0.14 5.02 -0.83 -4.81 118.16 112.65 1gru n LYS 15 Ca 0.04 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.88 1gru n LYS 15 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 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 1.92 -2.26 1.97 -0.58 -1.26 -4.67 120.64 115.75 1gru n GLU 16 Ca 0.00 0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 56.91 1gru n GLU 16 Cb 0.00 -2.95 -0.03 0.00 -0.57 0.00 0.00 31.44 27.89 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 6.98 3.54 -0.68 2.62 1.01 -1.26 -3.83 120.40 128.78 1gru s VAL 17 Ca 1.00 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 63.96 1gru s VAL 17 Cb -0.52 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1gru s VAL 17 CO 0.42 0.10 0.41 -0.62 0.00 0.00 0.00 175.10 175.40 1gru n GLU 18 N 3.81 -0.68 -1.97 2.72 1.02 -1.26 -4.81 120.64 119.47 1gru n GLU 18 Ca 0.10 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1gru n GLU 18 Cb 0.44 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -3.54 2.63 -0.52 2.62 2.01 -1.25 -4.70 115.64 112.89 1gru s THR 19 Ca 0.20 0.49 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 1gru s THR 19 Cb -0.11 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1gru s THR 19 CO 0.60 0.06 1.87 -0.54 -0.69 0.00 0.00 174.62 175.92 1gru s LYS 20 N 0.29 2.81 0.00 4.92 3.01 -1.26 -4.17 119.74 125.34 1gru s LYS 20 Ca 0.64 0.91 0.00 0.00 -1.01 0.00 0.00 55.97 56.51 1gru s LYS 20 Cb -0.43 -4.34 0.00 0.00 -1.01 0.00 0.00 37.83 32.05 1gru s LYS 20 CO 0.38 -2.50 0.00 -1.13 0.51 0.00 0.00 175.35 172.61 1gru n SER 21 N 12.19 0.00 -4.28 2.83 3.41 -1.18 -4.73 113.62 121.86 1gru n SER 21 Ca 0.22 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.55 1gru n SER 21 Cb 0.51 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.73 1gru n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gru n ALA 22 N 0.00 -3.45 -1.03 7.33 0.00 -1.23 -2.34 120.51 119.78 1gru n ALA 22 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 53.44 52.06 1gru n ALA 22 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 1gru n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gru n GLY 23 N 1.22 0.22 5.77 0.00 0.00 -1.26 -3.70 105.19 107.44 1gru n GLY 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.81 1.55 0.33 -0.02 0.00 -0.99 -3.72 105.19 103.15 1gru n GLY 24 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 1.22 -1.50 -0.61 2.04 -1.78 -3.43 117.51 113.45 1gru h ILE 25 Ca 0.00 -0.64 -0.73 0.00 1.00 0.00 0.00 64.86 64.48 1gru h ILE 25 Cb 0.00 0.35 0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1gru h ILE 25 CO 0.00 0.27 0.64 0.52 0.00 0.00 0.00 178.15 179.58 1gru n VAL 26 N -4.33 0.14 -3.05 1.67 0.31 -1.24 -4.85 118.33 106.97 1gru n VAL 26 Ca 0.07 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.93 1gru n VAL 26 Cb 0.14 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 3.83 5.45 -4.44 7.52 0.00 -1.26 -3.10 117.00 125.01 1gru n LEU 27 Ca 0.23 -4.70 -0.53 0.00 0.00 0.00 0.00 56.01 51.01 1gru n LEU 27 Cb 0.13 -1.55 -0.08 0.00 0.00 0.00 0.00 43.42 41.92 1gru n LEU 27 CO 0.73 1.02 1.75 1.07 0.00 0.00 0.00 177.39 181.95 1gru n THR 28 N 3.74 0.17 -1.58 1.96 5.66 -1.26 -4.89 114.28 118.08 1gru n THR 28 Ca 0.32 -0.20 -0.33 0.00 -3.05 0.00 0.00 64.05 60.79 1gru n THR 28 Cb 0.41 -1.43 0.07 0.00 -1.55 0.00 0.00 70.33 67.82 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 6.78 2.13 -0.68 1.09 0.00 -1.26 -4.28 107.32 111.09 1gru s GLY 29 Ca 1.10 0.60 -0.26 0.00 0.00 0.00 0.00 44.72 46.16 1gru s GLY 29 CO 0.53 0.97 1.65 -0.45 0.00 0.00 0.00 173.10 175.81 1gru s SER 30 N -2.53 5.60 -0.14 1.64 0.15 -1.26 -4.84 113.70 112.32 1gru s SER 30 Ca 0.68 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 57.30 1gru s SER 30 Cb -0.22 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.65 1gru s SER 30 CO 0.45 -2.19 1.85 0.00 1.20 0.00 0.00 173.24 174.55 1gru n ALA 31 N 11.55 4.26 -2.84 5.45 0.00 -1.26 -4.77 120.51 132.90 1gru n ALA 31 Ca 0.16 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 1gru n ALA 31 Cb 0.51 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 0.79 -0.44 -2.75 0.00 0.00 -1.26 -5.07 120.51 111.78 1gru n ALA 32 Ca 0.14 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1gru n ALA 32 Cb 0.58 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1gru n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gru s ALA 33 N -3.07 4.31 0.00 0.00 0.00 -1.26 -5.17 121.76 116.56 1gru s ALA 33 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1gru s ALA 33 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1gru s ALA 33 CO 0.24 -0.04 0.00 1.17 0.00 0.00 0.00 175.76 177.12 1gru n LYS 34 N -1.36 1.99 -4.40 0.00 3.00 -1.26 -4.79 118.16 111.33 1gru n LYS 34 Ca -0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.82 1gru n LYS 34 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.57 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 0.53 3.61 0.00 3.14 0.15 -1.26 -4.17 113.70 115.70 1gru s SER 35 Ca 0.00 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1gru s SER 35 Cb 0.00 -0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.85 1gru s SER 35 CO 0.00 0.19 0.23 0.35 1.20 0.00 0.00 173.24 175.21 1gru n THR 36 N 0.96 0.00 -3.27 6.45 -2.24 -1.26 -4.88 114.28 110.04 1gru n THR 36 Ca -0.17 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 1gru n THR 36 Cb 0.53 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.45 3.91 0.29 -0.78 3.00 -1.26 -2.39 118.95 120.27 1gru s ARG 37 Ca 0.02 0.49 -0.16 0.00 0.00 0.00 0.00 55.73 56.08 1gru s ARG 37 Cb 0.04 -2.53 0.02 0.00 0.00 0.00 0.00 34.95 32.47 1gru s ARG 37 CO 0.20 0.23 0.63 0.20 0.00 0.00 0.00 175.30 176.57 1gru s GLY 38 N -2.31 0.33 -0.09 -3.53 0.00 0.13 -1.97 107.32 99.88 1gru s GLY 38 Ca 0.51 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.59 1gru s GLY 38 CO 0.19 -0.38 -0.22 1.85 0.00 0.00 0.00 173.10 174.54 1gru s GLU 39 N -3.60 2.78 0.35 2.90 2.12 -0.67 -0.89 118.70 121.68 1gru s GLU 39 Ca 0.17 -0.79 -0.28 0.00 0.36 0.00 0.00 54.97 54.43 1gru s GLU 39 Cb -0.04 -2.12 -0.10 0.00 0.26 0.00 0.00 34.13 32.13 1gru s GLU 39 CO 0.10 0.15 1.36 0.08 -0.54 0.00 0.00 175.26 176.40 1gru s VAL 40 N 0.41 2.51 0.00 3.70 1.01 0.10 -1.99 120.40 126.15 1gru s VAL 40 Ca -0.18 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1gru s VAL 40 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1gru s VAL 40 CO 0.08 0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.48 1gru n LEU 41 N 0.69 1.90 -4.10 3.92 4.77 0.15 -2.00 117.00 122.34 1gru n LEU 41 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1gru n LEU 41 Cb 0.41 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1gru n LEU 41 CO 0.61 0.30 -0.38 0.00 -1.33 0.00 0.00 177.39 176.59 1gru s ALA 42 N -1.73 0.65 -0.05 -1.18 0.00 -0.77 -4.75 121.76 113.94 1gru s ALA 42 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1gru s ALA 42 Cb 0.00 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1gru s ALA 42 CO 0.00 -0.19 -0.06 0.08 0.00 0.00 0.00 175.76 175.59 1gru s VAL 43 N -2.75 0.66 0.45 0.00 1.01 -1.26 -2.20 120.40 116.30 1gru s VAL 43 Ca 0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1gru s VAL 43 Cb -0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 1gru s VAL 43 CO -0.04 0.25 0.94 -0.83 0.00 0.00 0.00 175.10 175.43 1gru s GLY 44 N 0.90 2.26 0.08 4.51 0.00 -0.44 -4.69 107.32 109.93 1gru s GLY 44 Ca -0.11 0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 1gru s GLY 44 CO 0.01 0.55 1.00 0.70 0.00 0.00 0.00 173.10 175.35 1gru n ASN 45 N -0.98 -0.50 0.00 1.64 3.02 -1.26 -4.03 115.26 113.14 1gru n ASN 45 Ca 0.06 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 1gru n ASN 45 Cb 0.54 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.12 3.57 3.31 7.41 0.00 -1.26 -3.79 105.19 113.32 1gru n GLY 46 Ca 0.01 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.22 0.18 0.00 1.61 0.63 -0.47 -3.86 116.66 113.52 1gru n ARG 47 Ca 0.00 0.07 0.01 0.00 -0.92 0.00 0.00 57.85 57.01 1gru n ARG 47 Cb 0.00 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 31.60 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 -1.78 0.00 -0.96 5.15 5.41 -1.26 -1.66 119.36 124.25 1gru n ILE 48 Ca 0.08 -0.49 -0.36 0.00 1.00 0.00 0.00 62.75 62.99 1gru n ILE 48 Cb 0.48 1.02 0.06 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 -0.27 -4.67 -2.26 1.39 4.77 -1.26 -3.24 117.00 111.46 1gru n LEU 49 Ca 0.01 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 1gru n LEU 49 Cb 0.04 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 1gru n LEU 49 CO 0.02 -5.18 -0.22 1.21 -1.33 0.00 0.00 177.39 171.89 1gru n GLU 50 N 1.70 -1.80 0.00 3.23 2.13 -1.26 -4.38 120.64 120.25 1gru n GLU 50 Ca -0.01 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1gru n GLU 50 Cb 0.58 -5.47 0.00 0.00 0.27 0.00 0.00 31.44 26.82 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 -1.77 0.00 -4.72 4.31 5.15 -1.20 -4.75 115.26 112.28 1gru n ASN 51 Ca -0.20 0.00 -0.63 0.00 -0.60 0.00 0.00 54.58 53.15 1gru n ASN 51 Cb 0.65 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.81 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 0.51 3.48 8.20 0.00 -1.26 -4.62 105.19 111.50 1gru n GLY 52 Ca 0.00 0.98 0.08 0.00 0.00 0.00 0.00 46.02 47.07 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 4.80 -1.18 -3.46 1.61 4.71 -1.26 -4.81 120.64 121.06 1gru n GLU 53 Ca 0.30 0.78 -0.26 0.00 -0.01 0.00 0.00 57.16 57.96 1gru n GLU 53 Cb 0.03 -1.44 -0.12 0.00 -1.01 0.00 0.00 31.44 28.91 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 -1.08 -0.05 0.03 2.62 1.01 -1.26 -4.70 120.40 116.98 1gru s VAL 54 Ca 0.00 -1.24 -0.32 0.00 0.00 0.00 0.00 61.98 60.42 1gru s VAL 54 Cb 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 1gru s VAL 54 CO 0.00 -0.81 1.87 2.29 0.00 0.00 0.00 175.10 178.45 1gru n LYS 55 N 4.49 2.55 -0.74 2.72 0.00 -0.67 -4.80 118.16 121.72 1gru n LYS 55 Ca 0.06 0.93 -0.29 0.00 -0.00 0.00 0.00 58.31 59.01 1gru n LYS 55 Cb 0.40 -2.81 0.20 0.00 -0.00 0.00 0.00 35.03 32.82 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 3.50 0.07 0.27 -1.58 0.04 -1.26 -1.37 135.00 134.66 1gru s PRO 56 Ca 0.87 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 1gru s PRO 56 Cb -0.56 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1gru s PRO 56 CO 0.44 -3.11 0.51 -0.51 0.04 0.00 0.00 177.00 174.36 1gru s LEU 57 N -6.84 4.10 -0.17 -3.56 1.43 -1.25 -4.72 118.68 107.68 1gru s LEU 57 Ca 0.67 0.62 0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1gru s LEU 57 Cb -0.23 -3.42 0.62 0.00 0.03 0.00 0.00 46.19 43.19 1gru s LEU 57 CO 0.61 -0.16 1.45 0.47 0.23 0.00 0.00 176.35 178.96 1gru n ASP 58 N -0.89 4.52 -3.91 2.29 9.92 -1.26 -4.83 116.55 122.39 1gru n ASP 58 Ca -0.03 -2.66 -0.29 0.00 -0.53 0.00 0.00 54.79 51.28 1gru n ASP 58 Cb 0.54 -0.63 -0.16 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.27 1.25 0.46 2.53 -7.23 -1.26 -5.12 120.40 108.76 1gru s VAL 59 Ca 0.41 -0.77 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 1gru s VAL 59 Cb 0.31 -1.43 -0.10 0.00 0.56 0.00 0.00 36.38 35.73 1gru s VAL 59 CO 0.13 0.11 0.98 -1.59 -0.31 0.00 0.00 175.10 174.41 1gru s LYS 60 N 1.56 4.08 0.02 4.82 -2.85 -1.26 -4.91 119.74 121.20 1gru s LYS 60 Ca -0.00 1.14 -0.32 0.00 -1.00 0.00 0.00 55.97 55.79 1gru s LYS 60 Cb -0.16 -2.15 -0.10 0.00 -2.06 0.00 0.00 37.83 33.36 1gru s LYS 60 CO -0.08 -0.17 1.92 0.28 0.10 0.00 0.00 175.35 177.40 1gru n VAL 61 N -0.90 0.63 0.00 1.79 0.31 -1.26 -2.47 118.33 116.43 1gru n VAL 61 Ca 0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1gru n VAL 61 Cb 0.54 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 4.43 0.84 3.68 2.92 0.00 -0.85 -4.97 105.19 111.24 1gru n GLY 62 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 1.03 -4.58 1.61 8.00 -1.03 -4.43 116.55 117.14 1gru n ASP 63 Ca 0.00 0.62 -0.38 0.00 0.71 0.00 0.00 54.79 55.74 1gru n ASP 63 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.01 5.20 0.12 0.53 1.01 -1.26 -0.72 121.20 124.07 1gru s ILE 64 Ca 0.74 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 1gru s ILE 64 Cb -0.31 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1gru s ILE 64 CO 0.50 0.27 0.02 0.68 0.00 0.00 0.00 174.94 176.41 1gru s VAL 65 N 1.65 0.28 -0.09 2.92 -7.23 -0.07 -1.56 120.40 116.31 1gru s VAL 65 Ca 0.07 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1gru s VAL 65 Cb -0.16 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 1gru s VAL 65 CO 0.09 -0.61 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.46 1gru s ILE 66 N -3.92 2.62 0.23 -0.62 1.01 -1.06 -0.70 121.20 118.77 1gru s ILE 66 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1gru s ILE 66 Cb 0.07 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1gru s ILE 66 CO -0.01 0.56 0.13 0.72 0.00 0.00 0.00 174.94 176.34 1gru s PHE 67 N -0.04 1.33 -0.35 3.97 -0.12 -1.01 -1.19 117.98 120.58 1gru s PHE 67 Ca -0.05 -1.34 -0.12 0.00 -0.05 0.00 0.00 56.93 55.38 1gru s PHE 67 Cb -0.14 -0.69 -0.00 0.00 -0.63 0.00 0.00 43.02 41.56 1gru s PHE 67 CO 0.04 -0.56 0.21 1.21 -0.05 0.00 0.00 175.22 176.08 1gru s ASN 68 N -3.23 5.82 -1.13 1.98 3.84 -0.98 -4.86 114.94 116.38 1gru s ASN 68 Ca 0.38 -0.63 -0.22 0.00 0.21 0.00 0.00 52.86 52.61 1gru s ASN 68 Cb 0.07 -2.07 0.01 0.00 -0.55 0.00 0.00 41.25 38.71 1gru s ASN 68 CO 0.14 -0.28 1.74 -0.62 -2.79 0.00 0.00 177.10 175.29 1gru s ASP 69 N 1.64 6.06 0.00 -4.21 -1.08 -1.26 -4.88 116.67 112.94 1gru s ASP 69 Ca 0.05 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 1gru s ASP 69 Cb -0.18 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1gru s ASP 69 CO 0.08 -1.95 0.00 0.61 0.52 0.00 0.00 175.17 174.43 1gru n GLY 70 N 6.15 2.54 0.29 2.66 0.00 -1.26 -5.01 105.19 110.57 1gru n GLY 70 Ca 0.42 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.64 0.00 1.61 3.20 -2.02 -3.24 116.97 115.88 1gru h TYR 71 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1gru h TYR 71 Cb 0.00 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1gru h TYR 71 CO 0.00 -0.40 0.87 0.41 -1.64 0.00 0.00 178.16 177.40 1gru n GLY 72 N -0.08 -0.38 3.73 1.82 0.00 -1.26 -4.39 105.19 104.63 1gru n GLY 72 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1gru n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gru s VAL 73 N -3.48 4.72 0.42 1.61 1.01 -1.23 -4.21 120.40 119.24 1gru s VAL 73 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.85 1gru s VAL 73 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1gru s VAL 73 CO 0.00 0.29 0.08 -0.54 0.00 0.00 0.00 175.10 174.93 1gru s LYS 74 N 0.29 1.94 0.04 2.72 -0.14 -0.75 -4.89 119.74 118.95 1gru s LYS 74 Ca 0.44 -2.18 0.03 0.00 -1.36 0.00 0.00 55.97 52.90 1gru s LYS 74 Cb -0.21 -0.96 -0.02 0.00 -1.68 0.00 0.00 37.83 34.96 1gru s LYS 74 CO 0.26 -0.36 -0.10 0.45 -0.76 0.00 0.00 175.35 174.84 1gru s SER 75 N -3.66 1.10 0.19 2.83 0.15 -1.26 -1.88 113.70 111.18 1gru s SER 75 Ca 0.23 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.33 1gru s SER 75 Cb 0.04 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1gru s SER 75 CO 0.12 -0.09 0.30 -1.61 1.20 0.00 0.00 173.24 173.16 1gru s GLU 76 N -1.26 1.26 -0.41 5.44 0.41 -0.70 -4.99 118.70 118.45 1gru s GLU 76 Ca -0.04 -1.28 0.01 0.00 -0.41 0.00 0.00 54.97 53.25 1gru s GLU 76 Cb -0.08 0.38 0.11 0.00 -1.78 0.00 0.00 34.13 32.76 1gru s GLU 76 CO 0.01 -0.47 0.15 0.21 -0.49 0.00 0.00 175.26 174.67 1gru s LYS 77 N -4.02 1.79 -0.33 1.61 2.47 -1.26 -2.45 119.74 117.55 1gru s LYS 77 Ca 0.22 -2.01 -0.11 0.00 -1.56 0.00 0.00 55.97 52.52 1gru s LYS 77 Cb 0.03 -3.38 -0.00 0.00 -1.46 0.00 0.00 37.83 33.02 1gru s LYS 77 CO 0.04 -1.02 0.19 0.42 0.16 0.00 0.00 175.35 175.14 1gru s ILE 78 N 0.75 4.75 -0.85 5.43 1.09 -0.89 -4.20 121.20 127.29 1gru s ILE 78 Ca 0.11 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 1gru s ILE 78 Cb -0.21 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 1gru s ILE 78 CO -0.05 -0.02 0.00 0.47 -0.10 0.00 0.00 174.94 175.23 1gru n ASP 79 N 5.02 -5.20 -0.64 3.58 8.00 -1.26 -2.34 116.55 123.71 1gru n ASP 79 Ca -0.13 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1gru n ASP 79 Cb 0.49 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 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 -0.74 -1.63 -4.05 -2.24 2.85 -1.26 -5.10 115.26 103.09 1gru n ASN 80 Ca -0.08 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.29 1gru n ASN 80 Cb 0.47 -0.41 -0.11 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 -3.51 0.51 0.22 1.20 8.01 -0.99 -5.10 118.70 119.05 1gru s GLU 81 Ca 0.00 -0.90 -0.30 0.00 0.01 0.00 0.00 54.97 53.78 1gru s GLU 81 Cb 0.00 -0.00 -0.08 0.00 -4.31 0.00 0.00 34.13 29.73 1gru s GLU 81 CO 0.00 -0.04 1.01 -1.21 0.01 0.00 0.00 175.26 175.03 1gru s GLU 82 N -2.44 4.74 -0.03 1.61 0.41 -1.26 -2.08 118.70 119.64 1gru s GLU 82 Ca -0.05 1.59 -0.11 0.00 -0.41 0.00 0.00 54.97 56.00 1gru s GLU 82 Cb -0.03 -3.28 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1gru s GLU 82 CO -0.03 0.33 0.24 0.14 -0.49 0.00 0.00 175.26 175.44 1gru s VAL 83 N -0.82 0.05 0.20 2.63 -7.23 -1.03 -4.80 120.40 109.40 1gru s VAL 83 Ca 0.44 -0.42 0.10 0.00 -1.81 0.00 0.00 61.98 60.29 1gru s VAL 83 Cb -0.27 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 1gru s VAL 83 CO 0.34 -0.23 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.00 1gru s LEU 84 N -0.95 2.80 -0.12 1.32 1.02 0.10 -1.72 118.68 121.12 1gru s LEU 84 Ca -0.10 -0.70 -0.03 0.00 0.02 0.00 0.00 54.13 53.32 1gru s LEU 84 Cb -0.05 -1.48 0.04 0.00 0.02 0.00 0.00 46.19 44.73 1gru s LEU 84 CO 0.02 0.10 0.04 -0.63 0.02 0.00 0.00 176.35 175.90 1gru s ILE 85 N -1.79 0.24 0.30 -0.59 1.01 -0.79 -1.68 121.20 117.89 1gru s ILE 85 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1gru s ILE 85 Cb -0.08 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1gru s ILE 85 CO 0.14 -0.01 0.33 0.00 0.00 0.00 0.00 174.94 175.40 1gru s MET 86 N 2.01 1.66 0.59 2.79 0.23 -1.01 -1.81 119.30 123.76 1gru s MET 86 Ca 0.03 -1.76 -0.04 0.00 -1.03 0.00 0.00 55.69 52.89 1gru s MET 86 Cb -0.14 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1gru s MET 86 CO -0.07 -0.64 0.87 -1.54 -2.03 0.00 0.00 175.02 171.62 1gru s SER 87 N -3.24 5.42 0.49 -1.18 1.04 -1.26 0.15 113.70 115.12 1gru s SER 87 Ca 0.35 0.48 0.22 0.00 0.48 0.00 0.00 55.95 57.48 1gru s SER 87 Cb 0.02 -1.43 1.28 0.00 0.10 0.00 0.00 66.02 65.99 1gru s SER 87 CO 0.20 -1.13 1.96 -0.08 0.98 0.00 0.00 173.24 175.17 1gru h GLU 88 N -0.14 0.14 -0.51 4.02 4.81 -1.52 -2.55 114.58 118.84 1gru h GLU 88 Ca -0.45 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1gru h GLU 88 Cb 1.27 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1gru h GLU 88 CO 0.59 0.09 -0.35 0.77 -0.73 0.00 0.00 179.01 179.38 1gru h SER 89 N 0.15 -1.26 -1.09 1.04 0.02 -1.92 -0.33 113.55 110.16 1gru h SER 89 Ca 0.30 0.18 0.31 0.00 -0.84 0.00 0.00 61.79 61.75 1gru h SER 89 Cb 0.99 0.55 -0.05 0.00 0.14 0.00 0.00 62.40 64.02 1gru h SER 89 CO -0.04 -0.17 0.78 0.44 -1.14 0.00 0.00 176.83 176.70 1gru h ASP 90 N -0.07 0.05 -3.28 3.07 3.32 -1.81 -3.41 116.42 114.30 1gru h ASP 90 Ca 0.08 0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.61 1gru h ASP 90 Cb 0.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.85 1gru h ASP 90 CO -0.51 0.01 0.61 -0.63 -1.72 0.00 0.00 179.24 177.00 1gru s ILE 91 N -5.02 3.60 -0.25 0.35 1.01 -0.13 -2.32 121.20 118.43 1gru s ILE 91 Ca -0.05 1.23 -0.08 0.00 0.00 0.00 0.00 60.65 61.75 1gru s ILE 91 Cb 0.23 -3.79 -0.13 0.00 0.01 0.00 0.00 42.46 38.78 1gru s ILE 91 CO 0.80 0.14 -0.30 0.18 0.00 0.00 0.00 174.94 175.76 1gru n LEU 92 N 3.24 2.18 0.00 2.97 4.77 -0.33 -4.98 117.00 124.85 1gru n LEU 92 Ca 0.07 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1gru n LEU 92 Cb 0.44 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1gru n LEU 92 CO 0.57 0.65 0.09 0.00 -1.33 0.00 0.00 177.39 177.37 1gru n ALA 93 N -3.87 -0.18 -3.71 -1.18 0.00 -1.12 -5.03 120.51 105.42 1gru n ALA 93 Ca -0.49 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 51.90 1gru n ALA 93 Cb 0.89 0.68 -0.18 0.00 0.00 0.00 0.00 19.45 20.85 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 -2.63 0.09 -0.14 0.00 1.01 -1.26 -2.55 121.20 115.72 1gru s ILE 94 Ca 0.15 0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 1gru s ILE 94 Cb -0.01 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1gru s ILE 94 CO 0.11 0.21 1.38 -0.69 0.00 0.00 0.00 174.94 175.94 1gru s VAL 95 N 2.03 4.08 0.00 2.92 1.01 -0.60 -4.97 120.40 124.86 1gru s VAL 95 Ca 0.04 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1gru s VAL 95 Cb -0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1gru s VAL 95 CO -0.04 -0.13 0.00 -0.62 0.00 0.00 0.00 175.10 174.31 1gru n GLU 96 N 6.79 3.34 0.00 2.72 1.02 -1.26 -4.55 120.64 128.70 1gru n GLU 96 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 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