#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rog s LEU 2 N 0.00 3.24 -0.14 -0.89 2.01 0.48 -4.98 118.68 118.40 2rog s LEU 2 Ca 0.00 -0.80 -0.00 0.00 0.01 0.00 0.00 54.13 53.34 2rog s LEU 2 Cb 0.00 -1.71 0.03 0.00 0.01 0.00 0.00 46.19 44.52 2rog s LEU 2 CO 0.00 -0.32 -0.08 -0.54 1.01 0.00 0.00 176.35 176.42 2rog s LYS 3 N -3.85 1.65 0.03 1.70 3.01 -1.24 -1.70 119.74 119.34 2rog s LYS 3 Ca 0.38 -0.43 0.01 0.00 -1.01 0.00 0.00 55.97 54.92 2rog s LYS 3 Cb -0.02 -1.87 -0.02 0.00 -1.01 0.00 0.00 37.83 34.91 2rog s LYS 3 CO 0.23 -0.33 -0.05 -1.17 0.51 0.00 0.00 175.35 174.53 2rog s LEU 4 N 1.63 2.19 -0.02 3.17 0.20 -0.62 -1.19 118.68 124.04 2rog s LEU 4 Ca 0.03 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.50 2rog s LEU 4 Cb -0.14 -0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.51 2rog s LEU 4 CO -0.08 -0.17 -0.21 -1.59 -0.29 0.00 0.00 176.35 174.01 2rog s LYS 5 N -1.19 1.73 -0.01 1.98 -2.85 -0.22 -0.61 119.74 118.58 2rog s LYS 5 Ca -0.09 -0.75 0.02 0.00 -1.00 0.00 0.00 55.97 54.15 2rog s LYS 5 Cb -0.08 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 2rog s LYS 5 CO -0.00 0.44 -0.06 0.54 0.10 0.00 0.00 175.35 176.37 2rog s VAL 6 N -0.46 0.51 -0.25 1.79 0.11 0.59 -1.42 120.40 121.27 2rog s VAL 6 Ca 0.07 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2rog s VAL 6 Cb -0.08 -0.45 0.14 0.00 -1.53 0.00 0.00 36.38 34.45 2rog s VAL 6 CO -0.01 0.16 0.40 -0.70 -3.33 0.00 0.00 175.10 171.63 2rog s GLU 7 N 0.06 0.37 -0.24 1.54 2.12 -0.22 -4.41 118.70 117.91 2rog s GLU 7 Ca -0.00 0.61 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 2rog s GLU 7 Cb -0.05 -0.33 -0.11 0.00 0.26 0.00 0.00 34.13 33.90 2rog s GLU 7 CO -0.00 -0.62 -0.29 0.41 -0.54 0.00 0.00 175.26 174.22 2rog n GLY 8 N 5.37 -0.37 3.43 -1.50 0.00 -1.26 -0.73 105.19 110.13 2rog n GLY 8 Ca -0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2rog n GLY 8 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2rog s MET 9 N -2.43 1.22 -1.29 1.61 1.75 -1.26 -4.80 119.30 114.09 2rog s MET 9 Ca -0.33 -0.42 -0.16 0.00 -1.25 0.00 0.00 55.69 53.53 2rog s MET 9 Cb 0.12 0.56 0.09 0.00 2.84 0.00 0.00 34.83 38.45 2rog s MET 9 CO 0.43 -0.53 1.71 2.41 -0.65 0.00 0.00 175.02 178.39 2rog n THR 10 N -0.31 4.00 -3.74 10.11 -1.04 -1.26 -4.82 114.28 117.22 2rog n THR 10 Ca -0.16 -4.18 -0.13 0.00 -2.04 0.00 0.00 64.05 57.54 2rog n THR 10 Cb 0.64 -2.40 -0.11 0.00 -1.82 0.00 0.00 70.33 66.65 2rog n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rog h ASN 12 N 5.87 0.91 -0.15 0.00 2.35 -1.97 -1.73 115.58 120.85 2rog h ASN 12 Ca -0.29 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.47 2rog h ASN 12 Cb 1.18 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2rog h ASN 12 CO 0.29 0.68 0.14 0.45 -1.65 0.00 0.00 177.43 177.34 2rog h HIS 13 N 1.06 0.00 -0.62 1.19 3.86 -1.96 -1.70 115.15 116.97 2rog h HIS 13 Ca 0.28 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2rog h HIS 13 Cb -0.08 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2rog h HIS 13 CO 0.00 0.00 0.41 0.00 0.86 0.00 0.00 177.93 179.20 2rog h VAL 15 N 0.84 0.92 -0.63 0.00 2.07 -1.45 0.54 116.25 118.54 2rog h VAL 15 Ca 0.23 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2rog h VAL 15 Cb -0.10 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2rog h VAL 15 CO -0.05 0.05 0.10 0.24 0.02 0.00 0.00 177.57 177.93 2rog h MET 16 N -0.26 1.04 0.12 1.57 2.86 -1.52 -1.75 114.93 116.98 2rog h MET 16 Ca -0.02 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2rog h MET 16 Cb 0.21 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2rog h MET 16 CO 0.03 0.96 -0.06 0.00 1.06 0.00 0.00 176.91 178.91 2rog h ALA 17 N 1.03 -0.16 -0.59 6.32 0.00 -0.62 -0.47 119.26 124.78 2rog h ALA 17 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2rog h ALA 17 Cb 0.43 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2rog h ALA 17 CO 0.01 -0.53 0.14 -0.24 0.00 0.00 0.00 179.25 178.62 2rog h VAL 18 N -0.27 1.24 0.07 0.00 3.04 -0.86 -1.06 116.25 118.40 2rog h VAL 18 Ca -0.02 -0.88 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 2rog h VAL 18 Cb 0.21 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2rog h VAL 18 CO 0.03 0.33 -0.03 0.74 -1.01 0.00 0.00 177.57 177.62 2rog h THR 19 N 0.88 0.94 -0.78 3.17 2.02 -1.04 0.11 112.91 118.21 2rog h THR 19 Ca 0.19 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.46 2rog h THR 19 Cb 0.33 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 2rog h THR 19 CO 0.00 0.00 0.41 0.50 0.37 0.00 0.00 175.52 176.81 2rog h LYS 20 N -0.09 0.65 0.06 6.66 3.64 -0.72 -0.86 116.57 125.90 2rog h LYS 20 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2rog h LYS 20 Cb 0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2rog h LYS 20 CO 0.01 0.43 -0.03 0.00 -2.27 0.00 0.00 179.45 177.59 2rog h ALA 21 N 1.47 -0.08 -0.63 5.00 0.00 -0.75 -3.21 119.26 121.05 2rog h ALA 21 Ca 0.39 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2rog h ALA 21 Cb 0.44 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2rog h ALA 21 CO -0.29 -0.37 0.42 -0.07 0.00 0.00 0.00 179.25 178.94 2rog h LEU 22 N -0.44 0.45 0.00 0.00 3.38 -0.19 -0.66 115.31 117.84 2rog h LEU 22 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rog h LEU 22 Cb 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2rog h LEU 22 CO 0.01 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.11 2rog n LYS 23 N -4.48 0.07 0.31 1.13 4.76 -0.38 -2.89 118.16 116.68 2rog n LYS 23 Ca 0.10 0.25 0.19 0.00 -2.87 0.00 0.00 58.31 55.98 2rog n LYS 23 Cb 0.33 -1.50 1.05 0.00 -1.84 0.00 0.00 35.03 33.07 2rog n LYS 23 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2rog h LYS 24 N 0.00 0.00 -4.03 1.97 2.10 -1.26 -3.31 116.57 112.04 2rog h LYS 24 Ca 0.00 0.00 -0.73 0.00 -2.00 0.00 0.00 60.65 57.92 2rog h LYS 24 Cb 0.05 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 31.08 2rog h LYS 24 CO 0.00 0.00 -0.30 0.14 -2.00 0.00 0.00 179.45 177.29 2rog s VAL 25 N -4.38 4.33 0.00 0.07 -7.23 -1.14 -4.98 120.40 107.06 2rog s VAL 25 Ca -0.05 -2.22 -0.02 0.00 -1.81 0.00 0.00 61.98 57.88 2rog s VAL 25 Cb 0.14 -3.81 -0.11 0.00 0.56 0.00 0.00 36.38 33.17 2rog s VAL 25 CO 0.47 -0.85 2.21 -0.81 -0.31 0.00 0.00 175.10 175.82 2rog n PRO 26 N 4.37 1.15 -0.23 4.82 -0.04 -1.25 -3.80 135.00 140.02 2rog n PRO 26 Ca 0.00 -0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.10 2rog n PRO 26 Cb 0.41 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2rog n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rog n GLY 27 N 2.15 1.79 0.69 0.55 0.00 -1.26 -4.86 105.19 104.25 2rog n GLY 27 Ca 0.17 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2rog n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rog n VAL 28 N -0.54 1.11 0.00 1.61 0.31 -1.25 -4.08 118.33 115.49 2rog n VAL 28 Ca 0.05 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2rog n VAL 28 Cb 0.60 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2rog n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2rog n GLU 29 N -3.74 0.00 -3.20 5.55 -0.58 -1.26 -4.27 120.64 113.14 2rog n GLU 29 Ca -0.10 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.20 2rog n GLU 29 Cb 0.33 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.14 2rog n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2rog s LYS 30 N 0.00 3.06 -0.02 3.49 -0.14 -1.22 -5.02 119.74 119.90 2rog s LYS 30 Ca 0.00 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 2rog s LYS 30 Cb 0.00 -4.17 0.02 0.00 -1.68 0.00 0.00 37.83 31.99 2rog s LYS 30 CO 0.00 -1.29 0.00 0.14 -0.76 0.00 0.00 175.35 173.44 2rog s VAL 31 N 2.39 0.09 -0.03 3.17 -7.23 -1.26 -1.02 120.40 116.52 2rog s VAL 31 Ca 0.11 0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.30 2rog s VAL 31 Cb -0.22 -0.15 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2rog s VAL 31 CO 0.08 0.08 0.09 -0.70 -0.31 0.00 0.00 175.10 174.35 2rog s GLU 32 N 0.60 0.18 0.01 4.82 2.12 -0.53 -5.01 118.70 120.88 2rog s GLU 32 Ca -0.05 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.31 2rog s GLU 32 Cb -0.08 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 2rog s GLU 32 CO -0.01 -0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 174.68 2rog s VAL 33 N -0.26 0.61 0.35 3.70 1.01 -1.26 -0.74 120.40 123.81 2rog s VAL 33 Ca -0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 2rog s VAL 33 Cb -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 2rog s VAL 33 CO 0.00 -0.00 0.98 -0.55 0.00 0.00 0.00 175.10 175.53 2rog s SER 34 N -0.65 7.15 -0.02 3.32 0.15 -0.44 -5.00 113.70 118.22 2rog s SER 34 Ca -0.01 1.90 -0.23 0.00 0.70 0.00 0.00 55.95 58.31 2rog s SER 34 Cb -0.05 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.48 2rog s SER 34 CO 0.00 -0.21 1.17 0.25 1.20 0.00 0.00 173.24 175.65 2rog h LEU 35 N 2.93 0.26 -0.33 3.45 6.46 -2.01 -3.35 115.31 122.71 2rog h LEU 35 Ca -0.47 -0.64 -0.08 0.00 -0.12 0.00 0.00 57.88 56.57 2rog h LEU 35 Cb 1.20 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 2rog h LEU 35 CO 0.64 0.85 -0.36 -0.33 -0.62 0.00 0.00 178.44 178.62 2rog h GLU 36 N -0.32 0.00 -4.91 1.25 4.39 -1.99 -3.46 114.58 109.54 2rog h GLU 36 Ca -0.01 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 2rog h GLU 36 Cb 0.84 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.26 2rog h GLU 36 CO 0.04 0.36 -0.76 0.15 -1.16 0.00 0.00 179.01 177.64 2rog s LYS 37 N -3.20 0.69 0.00 2.33 3.01 -1.26 -5.04 119.74 116.27 2rog s LYS 37 Ca 0.03 -0.74 0.00 0.00 -1.01 0.00 0.00 55.97 54.25 2rog s LYS 37 Cb 0.08 -0.60 0.00 0.00 -1.01 0.00 0.00 37.83 36.30 2rog s LYS 37 CO 0.71 0.13 0.59 0.41 0.51 0.00 0.00 175.35 177.70 2rog n GLY 38 N 1.69 1.37 3.84 -3.33 0.00 -1.26 -3.86 105.19 103.63 2rog n GLY 38 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2rog n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rog s GLU 39 N -0.38 4.02 0.10 1.61 -1.05 -1.26 -0.30 118.70 121.44 2rog s GLU 39 Ca 0.00 0.54 -0.02 0.00 -0.15 0.00 0.00 54.97 55.34 2rog s GLU 39 Cb 0.00 -3.02 -0.03 0.00 -0.44 0.00 0.00 34.13 30.64 2rog s GLU 39 CO 0.00 0.53 0.05 0.00 0.95 0.00 0.00 175.26 176.78 2rog s ALA 40 N -1.36 0.57 -0.00 -0.84 0.00 0.22 -1.32 121.76 119.03 2rog s ALA 40 Ca 0.35 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2rog s ALA 40 Cb -0.16 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2rog s ALA 40 CO 0.19 -0.45 -0.19 -0.51 0.00 0.00 0.00 175.76 174.79 2rog s LEU 41 N -2.97 2.06 0.02 0.00 2.01 0.08 -1.58 118.68 118.30 2rog s LEU 41 Ca 0.15 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 53.92 2rog s LEU 41 Cb 0.07 -0.98 -0.02 0.00 0.01 0.00 0.00 46.19 45.28 2rog s LEU 41 CO -0.04 0.22 -0.05 0.68 1.01 0.00 0.00 176.35 178.17 2rog s VAL 42 N -0.52 0.33 -0.05 -1.59 -7.23 -0.69 -1.46 120.40 109.19 2rog s VAL 42 Ca 0.07 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.53 2rog s VAL 42 Cb -0.08 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.52 2rog s VAL 42 CO -0.00 -0.25 0.05 -0.70 -0.31 0.00 0.00 175.10 173.89 2rog s GLU 43 N -1.00 0.07 0.00 4.82 2.12 -0.19 -0.39 118.70 124.14 2rog s GLU 43 Ca -0.07 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2rog s GLU 43 Cb -0.07 -0.61 0.00 0.00 0.26 0.00 0.00 34.13 33.72 2rog s GLU 43 CO -0.00 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 2rog n GLY 44 N 5.24 2.15 0.00 -1.50 0.00 -1.26 -3.42 105.19 106.40 2rog n GLY 44 Ca -0.04 -1.21 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2rog n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rog n THR 45 N -1.16 0.00 -2.22 2.61 -2.24 -1.26 -4.87 114.28 105.14 2rog n THR 45 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2rog n THR 45 Cb 0.00 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2rog n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rog s ALA 46 N -2.00 3.53 0.34 6.98 0.00 -1.26 -5.02 121.76 124.32 2rog s ALA 46 Ca 0.13 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 2rog s ALA 46 Cb 0.06 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2rog s ALA 46 CO 0.10 -0.54 1.09 0.34 0.00 0.00 0.00 175.76 176.76 2rog s ASP 47 N 0.45 7.00 0.19 0.00 -1.08 -1.26 -4.98 116.67 116.98 2rog s ASP 47 Ca 0.58 2.21 -0.12 0.00 -0.52 0.00 0.00 52.55 54.70 2rog s ASP 47 Cb -0.36 -2.61 0.11 0.00 -1.46 0.00 0.00 42.92 38.59 2rog s ASP 47 CO 0.37 -0.33 1.82 1.55 0.52 0.00 0.00 175.17 179.09 2rog h PRO 48 N 3.23 0.89 -0.95 4.34 0.13 -1.99 -2.87 132.00 134.77 2rog h PRO 48 Ca -0.47 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 64.64 2rog h PRO 48 Cb 1.22 -0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 2rog h PRO 48 CO 0.65 0.65 0.60 1.57 -0.23 0.00 0.00 178.00 181.24 2rog h LYS 49 N 0.88 1.03 -0.46 0.86 2.10 -2.00 -1.69 116.57 117.30 2rog h LYS 49 Ca 0.23 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.79 2rog h LYS 49 Cb 0.00 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 31.08 2rog h LYS 49 CO -0.04 0.68 0.18 0.00 -2.00 0.00 0.00 179.45 178.27 2rog h ALA 50 N 1.45 0.60 0.05 0.07 0.00 -1.91 -1.89 119.26 117.62 2rog h ALA 50 Ca 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2rog h ALA 50 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2rog h ALA 50 CO -0.19 0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.17 2rog h LEU 51 N 0.60 -0.05 -0.22 0.00 4.07 -1.25 0.25 115.31 118.71 2rog h LEU 51 Ca 0.15 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2rog h LEU 51 Cb 0.19 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2rog h LEU 51 CO -0.01 0.11 0.09 -0.37 -1.08 0.00 0.00 178.44 177.18 2rog h VAL 52 N -0.22 0.96 -0.12 1.22 -1.51 -1.28 -1.64 116.25 113.66 2rog h VAL 52 Ca -0.01 -0.07 -0.07 0.00 -1.23 0.00 0.00 66.70 65.33 2rog h VAL 52 Cb 0.19 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2rog h VAL 52 CO 0.01 0.04 -0.23 -0.61 -1.23 0.00 0.00 177.57 175.54 2rog h GLN 53 N 0.20 0.21 -0.41 5.19 5.75 -1.28 -1.48 115.11 123.29 2rog h GLN 53 Ca 0.10 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2rog h GLN 53 Cb 0.05 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2rog h GLN 53 CO -0.09 0.44 0.22 0.00 -2.65 0.00 0.00 178.83 176.75 2rog h ALA 54 N 1.57 0.53 -0.03 3.38 0.00 -0.29 -2.95 119.26 121.46 2rog h ALA 54 Ca 0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2rog h ALA 54 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2rog h ALA 54 CO 0.04 0.06 -0.78 -0.39 0.00 0.00 0.00 179.25 178.18 2rog h VAL 55 N 0.53 1.45 -0.21 0.00 -1.51 -1.01 -3.31 116.25 112.19 2rog h VAL 55 Ca 0.14 -2.37 0.06 0.00 -1.23 0.00 0.00 66.70 63.30 2rog h VAL 55 Cb 0.07 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2rog h VAL 55 CO -0.02 0.70 0.22 -0.08 -1.23 0.00 0.00 177.57 177.15 2rog h GLU 56 N 0.15 0.00 -0.04 5.19 4.81 -1.10 -2.61 114.58 120.98 2rog h GLU 56 Ca -0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2rog h GLU 56 Cb 1.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 2rog h GLU 56 CO 0.12 0.00 0.03 0.93 -0.73 0.00 0.00 179.01 179.36 2rog h GLU 57 N 0.00 0.00 -0.00 1.92 4.39 -1.64 -0.39 114.58 118.86 2rog h GLU 57 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2rog h GLU 57 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2rog h GLU 57 CO -0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 2rog n GLU 58 N -4.41 1.00 -3.06 2.33 -0.58 -0.98 -4.89 120.64 110.06 2rog n GLU 58 Ca -0.02 -0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 2rog n GLU 58 Cb 0.13 -1.28 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 2rog n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rog n GLY 59 N 0.78 -0.05 3.32 0.62 0.00 -0.16 -5.05 105.19 104.67 2rog n GLY 59 Ca 0.14 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2rog n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rog s TYR 60 N -3.22 1.94 0.56 1.61 2.02 -1.26 -4.99 117.35 114.01 2rog s TYR 60 Ca 0.18 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.30 2rog s TYR 60 Cb -0.08 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 2rog s TYR 60 CO 0.47 0.26 1.04 0.15 -1.57 0.00 0.00 175.55 175.90 2rog s LYS 61 N -2.07 3.55 0.02 -0.62 3.01 0.09 -4.42 119.74 119.29 2rog s LYS 61 Ca 0.10 1.17 -0.25 0.00 -1.01 0.00 0.00 55.97 55.97 2rog s LYS 61 Cb -0.09 -2.07 0.06 0.00 -1.01 0.00 0.00 37.83 34.72 2rog s LYS 61 CO 0.05 -0.62 0.57 0.00 0.51 0.00 0.00 175.35 175.86 2rog s ALA 62 N -2.42 -1.48 0.09 5.17 0.00 -1.26 -1.06 121.76 120.80 2rog s ALA 62 Ca 0.63 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 2rog s ALA 62 Cb -0.15 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2rog s ALA 62 CO 0.33 -0.46 0.39 -2.00 0.00 0.00 0.00 175.76 174.01 2rog s GLU 63 N -2.02 1.00 0.02 0.00 2.56 -0.51 -5.00 118.70 114.75 2rog s GLU 63 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 54.97 54.26 2rog s GLU 63 Cb -0.01 0.44 -0.02 0.00 2.00 0.00 0.00 34.13 36.54 2rog s GLU 63 CO 0.02 -0.37 0.04 0.54 -0.56 0.00 0.00 175.26 174.93 2rog s VAL 64 N -3.34 0.12 -0.40 3.70 0.11 -1.26 -1.05 120.40 118.27 2rog s VAL 64 Ca 0.00 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 2rog s VAL 64 Cb 0.01 -0.59 0.15 0.00 -1.53 0.00 0.00 36.38 34.42 2rog s VAL 64 CO -0.09 -0.55 0.28 -0.22 -3.33 0.00 0.00 175.10 171.19 2rog s LEU 65 N -1.77 1.50 0.00 2.54 2.96 -0.33 -4.98 118.68 118.59 2rog s LEU 65 Ca -0.10 -2.66 0.21 0.00 -0.22 0.00 0.00 54.13 51.36 2rog s LEU 65 Cb -0.05 -0.53 1.27 0.00 0.50 0.00 0.00 46.19 47.37 2rog s LEU 65 CO -0.02 -0.24 1.65 0.00 -1.32 0.00 0.00 176.35 176.42