#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmu s LEU 2 N 0.00 4.40 -0.11 -0.89 2.96 -1.25 -4.85 118.68 118.94 1gmu s LEU 2 Ca 0.00 2.73 0.03 0.00 -0.22 0.00 0.00 54.13 56.67 1gmu s LEU 2 Cb 0.00 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1gmu s LEU 2 CO 0.00 -0.63 -0.22 -0.31 -1.32 0.00 0.00 176.35 173.87 1gmu s TYR 3 N -0.76 2.50 -0.34 5.38 1.51 -1.26 -0.26 117.35 124.12 1gmu s TYR 3 Ca 0.53 -1.12 -0.10 0.00 -1.01 0.00 0.00 57.07 55.36 1gmu s TYR 3 Cb -0.41 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1gmu s TYR 3 CO 0.51 -0.49 0.18 -0.51 -1.11 0.00 0.00 175.55 174.13 1gmu s LEU 4 N 0.58 4.38 0.00 -1.29 1.43 -0.03 -4.59 118.68 119.16 1gmu s LEU 4 Ca -0.13 -0.73 0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1gmu s LEU 4 Cb -0.17 -2.01 0.14 0.00 0.03 0.00 0.00 46.19 44.18 1gmu s LEU 4 CO 0.04 -0.28 0.96 0.35 0.23 0.00 0.00 176.35 177.65 1gmu n THR 5 N 4.99 0.16 -3.48 5.49 -2.24 -0.21 -1.02 114.28 117.97 1gmu n THR 5 Ca -0.13 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 60.92 1gmu n THR 5 Cb 0.48 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.80 1gmu n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmu s GLN 6 N -1.03 1.16 -0.20 -0.78 -2.07 -1.00 -4.60 119.66 111.13 1gmu s GLN 6 Ca 0.16 -0.08 -0.07 0.00 -1.82 0.00 0.00 55.36 53.56 1gmu s GLN 6 Cb 0.11 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.54 1gmu s GLN 6 CO 0.16 -0.43 0.05 0.50 -1.32 0.00 0.00 175.29 174.24 1gmu s ARG 7 N -2.37 3.80 0.27 9.60 3.52 -1.26 -1.35 118.95 131.16 1gmu s ARG 7 Ca -0.05 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 1gmu s ARG 7 Cb -0.00 -3.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.09 1gmu s ARG 7 CO -0.01 0.09 1.16 -0.51 -0.81 0.00 0.00 175.30 175.22 1gmu s LEU 8 N 0.85 4.51 0.09 -0.88 1.02 -0.44 -4.93 118.68 118.90 1gmu s LEU 8 Ca 0.03 2.35 -0.13 0.00 0.02 0.00 0.00 54.13 56.40 1gmu s LEU 8 Cb -0.14 -3.63 -0.18 0.00 0.02 0.00 0.00 46.19 42.26 1gmu s LEU 8 CO 0.02 -0.27 1.26 -0.08 0.02 0.00 0.00 176.35 177.31 1gmu h GLU 9 N 4.01 0.75 -4.71 1.70 4.81 -1.98 -3.40 114.58 115.77 1gmu h GLU 9 Ca -0.47 -0.69 -0.69 0.00 -0.13 0.00 0.00 59.36 57.38 1gmu h GLU 9 Cb 1.21 0.17 -0.30 0.00 0.63 0.00 0.00 28.75 30.46 1gmu h GLU 9 CO 0.68 1.28 -0.64 0.42 -0.73 0.00 0.00 179.01 180.03 1gmu s ILE 10 N -3.58 3.52 0.45 2.32 1.01 -1.26 -5.09 121.20 118.57 1gmu s ILE 10 Ca -0.10 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.09 1gmu s ILE 10 Cb 0.08 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 1gmu s ILE 10 CO 0.91 -0.16 1.30 -2.65 0.00 0.00 0.00 174.94 174.35 1gmu n PRO 11 N 4.75 1.91 -4.34 2.79 -0.02 -1.26 -5.04 135.00 133.80 1gmu n PRO 11 Ca -0.13 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 1gmu n PRO 11 Cb 0.44 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 1gmu n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gmu s ALA 12 N -1.22 2.99 0.01 3.55 0.00 -1.26 -5.07 121.76 120.76 1gmu s ALA 12 Ca 0.63 -1.65 -0.34 0.00 0.00 0.00 0.00 51.96 50.61 1gmu s ALA 12 Cb -0.48 -0.64 -0.12 0.00 0.00 0.00 0.00 23.12 21.88 1gmu s ALA 12 CO 0.56 0.34 1.76 0.00 0.00 0.00 0.00 175.76 178.42 1gmu n ALA 13 N -0.51 1.09 -1.81 0.00 0.00 -1.26 -4.89 120.51 113.12 1gmu n ALA 13 Ca -0.08 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 1gmu n ALA 13 Cb 0.58 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 1gmu n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gmu s ALA 14 N 2.84 3.57 -0.61 0.00 0.00 -1.26 -4.70 121.76 121.60 1gmu s ALA 14 Ca 0.87 1.35 0.12 0.00 0.00 0.00 0.00 51.96 54.31 1gmu s ALA 14 Cb -0.68 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 18.78 1gmu s ALA 14 CO 0.46 -0.77 0.53 0.25 0.00 0.00 0.00 175.76 176.23 1gmu n THR 15 N 1.34 0.00 -3.81 0.00 -2.24 0.56 -4.97 114.28 105.16 1gmu n THR 15 Ca 0.03 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1gmu n THR 15 Cb 0.41 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1gmu n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmu s ALA 16 N -2.09 -1.54 0.10 6.98 0.00 -1.07 -4.95 121.76 119.18 1gmu s ALA 16 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1gmu s ALA 16 Cb 0.09 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1gmu s ALA 16 CO 0.48 -1.05 0.13 -1.54 0.00 0.00 0.00 175.76 173.78 1gmu s SER 17 N -3.14 0.23 -0.04 0.00 1.04 -1.26 -1.05 113.70 109.49 1gmu s SER 17 Ca 0.16 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1gmu s SER 17 Cb -0.02 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1gmu s SER 17 CO 0.04 -0.72 0.07 0.54 0.98 0.00 0.00 173.24 174.15 1gmu s VAL 18 N -3.92 -0.08 -0.30 5.02 0.11 -0.12 -0.96 120.40 120.15 1gmu s VAL 18 Ca 0.10 0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 59.33 1gmu s VAL 18 Cb 0.06 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.77 1gmu s VAL 18 CO -0.07 0.11 0.11 -0.89 -3.33 0.00 0.00 175.10 171.03 1gmu s THR 19 N 1.39 4.25 0.06 5.04 2.01 -1.26 -0.74 115.64 126.39 1gmu s THR 19 Ca -0.06 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1gmu s THR 19 Cb -0.12 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1gmu s THR 19 CO -0.04 0.07 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.09 1gmu s LEU 20 N 1.55 2.28 0.71 4.42 1.43 -0.32 -4.72 118.68 124.03 1gmu s LEU 20 Ca 0.03 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1gmu s LEU 20 Cb -0.17 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.70 1gmu s LEU 20 CO 0.04 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 1gmu s PRO 21 N -1.78 2.75 0.41 1.29 0.04 -1.26 -1.00 135.00 135.46 1gmu s PRO 21 Ca -0.04 0.37 0.11 0.00 0.04 0.00 0.00 61.00 61.47 1gmu s PRO 21 Cb -0.09 -2.04 0.92 0.00 0.04 0.00 0.00 34.50 33.33 1gmu s PRO 21 CO 0.01 -1.07 1.99 0.97 0.04 0.00 0.00 177.00 178.94 1gmu h ILE 22 N -0.66 0.96 -0.13 0.56 6.09 -1.91 -1.89 117.51 120.54 1gmu h ILE 22 Ca -0.45 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1gmu h ILE 22 Cb 1.26 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 1gmu h ILE 22 CO 0.64 0.10 0.05 -2.24 -3.07 0.00 0.00 178.15 173.62 1gmu h ASP 23 N 0.53 0.15 0.54 2.19 2.03 -1.97 -2.27 116.42 117.61 1gmu h ASP 23 Ca 0.27 -0.01 -0.29 0.00 -0.73 0.00 0.00 57.03 56.27 1gmu h ASP 23 Cb 0.37 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 38.79 1gmu h ASP 23 CO -0.08 0.14 -1.62 1.62 -1.03 0.00 0.00 179.24 178.27 1gmu h VAL 24 N 0.18 0.96 0.00 4.15 3.04 -1.74 -3.34 116.25 119.49 1gmu h VAL 24 Ca 0.05 -2.78 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 1gmu h VAL 24 Cb 0.04 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1gmu h VAL 24 CO -0.01 0.58 0.00 0.54 -1.01 0.00 0.00 177.57 177.68 1gmu n ARG 25 N -3.13 0.27 -0.07 4.17 1.74 -0.79 -1.64 116.66 117.22 1gmu n ARG 25 Ca -0.15 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.10 1gmu n ARG 25 Cb 1.04 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 31.07 1gmu n ARG 25 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1gmu n VAL 26 N -1.23 0.37 -3.57 1.55 0.24 -1.10 -0.92 118.33 113.66 1gmu n VAL 26 Ca 0.08 -0.68 -0.37 0.00 -2.04 0.00 0.00 64.34 61.32 1gmu n VAL 26 Cb 0.11 0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 1gmu n VAL 26 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1gmu s LYS 27 N -0.99 3.97 0.06 7.34 1.02 -0.65 -4.78 119.74 125.71 1gmu s LYS 27 Ca 0.18 0.20 0.11 0.00 0.02 0.00 0.00 55.97 56.47 1gmu s LYS 27 Cb 0.11 -3.30 -0.19 0.00 -0.52 0.00 0.00 37.83 33.92 1gmu s LYS 27 CO 0.16 0.51 1.01 0.66 -0.92 0.00 0.00 175.35 176.76 1gmu h SER 28 N 5.59 0.00 -3.27 2.83 4.64 -1.86 -3.45 113.55 118.03 1gmu h SER 28 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 1gmu h SER 28 Cb 1.20 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.91 1gmu h SER 28 CO 0.67 0.94 -0.78 0.00 -0.87 0.00 0.00 176.83 176.78 1gmu s ARG 29 N -2.70 1.07 -0.17 4.77 1.70 -1.26 -0.83 118.95 121.53 1gmu s ARG 29 Ca -0.01 -0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 54.69 1gmu s ARG 29 Cb 0.09 -1.63 0.12 0.00 -0.57 0.00 0.00 34.95 32.96 1gmu s ARG 29 CO 0.82 -0.40 0.98 0.54 -1.08 0.00 0.00 175.30 176.16 1gmu s VAL 30 N 1.79 0.00 -0.05 4.99 0.11 -1.04 -5.00 120.40 121.21 1gmu s VAL 30 Ca 0.03 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.88 1gmu s VAL 30 Cb -0.14 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1gmu s VAL 30 CO -0.07 0.00 0.56 -0.75 -3.33 0.00 0.00 175.10 171.51 1gmu s LYS 31 N -0.91 4.31 0.34 1.54 2.20 -1.26 -0.98 119.74 124.98 1gmu s LYS 31 Ca -0.02 0.64 0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1gmu s LYS 31 Cb -0.01 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1gmu s LYS 31 CO 0.01 0.28 0.11 0.14 -0.36 0.00 0.00 175.35 175.53 1gmu s VAL 32 N 0.14 0.73 -0.12 4.02 -7.23 0.14 -4.98 120.40 113.10 1gmu s VAL 32 Ca 0.30 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1gmu s VAL 32 Cb -0.17 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1gmu s VAL 32 CO 0.15 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.89 1gmu s THR 33 N -3.41 1.58 0.85 5.32 2.01 -1.26 -1.20 115.64 119.53 1gmu s THR 33 Ca 0.32 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1gmu s THR 33 Cb 0.06 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.23 1gmu s THR 33 CO 0.15 0.46 1.09 -0.76 -0.69 0.00 0.00 174.62 174.87 1gmu s LEU 34 N 1.02 2.52 0.52 4.42 1.43 0.16 -4.68 118.68 124.06 1gmu s LEU 34 Ca -0.05 1.57 0.34 0.00 -1.03 0.00 0.00 54.13 54.96 1gmu s LEU 34 Cb -0.15 -4.09 1.56 0.00 0.03 0.00 0.00 46.19 43.54 1gmu s LEU 34 CO -0.03 -2.40 2.02 0.78 0.23 0.00 0.00 176.35 176.95 1gmu h ASN 35 N -1.39 0.00 -0.15 2.29 -0.26 -1.38 -0.79 115.58 113.90 1gmu h ASN 35 Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1gmu h ASN 35 Cb 1.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 1gmu h ASN 35 CO 0.54 0.00 0.00 -0.90 -1.06 0.00 0.00 177.43 176.01 1gmu n ASP 36 N -2.90 1.54 0.00 5.81 5.68 -1.26 -4.93 116.55 120.49 1gmu n ASP 36 Ca -0.00 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1gmu n ASP 36 Cb 0.22 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1gmu n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gmu n GLY 37 N 1.11 1.75 3.78 6.12 0.00 -0.30 -5.06 105.19 112.58 1gmu n GLY 37 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1gmu n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gmu s ARG 38 N -0.78 3.94 0.46 1.61 0.52 -1.26 -4.70 118.95 118.74 1gmu s ARG 38 Ca 0.00 1.64 -0.17 0.00 -0.52 0.00 0.00 55.73 56.67 1gmu s ARG 38 Cb 0.00 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.93 1gmu s ARG 38 CO 0.00 -0.37 0.94 -0.51 0.02 0.00 0.00 175.30 175.38 1gmu s ASP 39 N -1.48 6.73 -0.11 0.23 1.11 -1.26 -0.67 116.67 121.22 1gmu s ASP 39 Ca 0.61 1.56 -0.16 0.00 0.18 0.00 0.00 52.55 54.74 1gmu s ASP 39 Cb -0.25 -2.50 0.04 0.00 1.07 0.00 0.00 42.92 41.28 1gmu s ASP 39 CO 0.31 -0.47 0.40 0.00 1.18 0.00 0.00 175.17 176.59 1gmu s ALA 40 N -2.41 -1.01 -0.21 5.23 0.00 -0.34 -3.82 121.76 119.19 1gmu s ALA 40 Ca 0.59 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 1gmu s ALA 40 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1gmu s ALA 40 CO 0.24 -0.23 -0.01 0.20 0.00 0.00 0.00 175.76 175.97 1gmu s GLY 41 N -0.31 1.68 -0.25 0.00 0.00 0.64 -0.68 107.32 108.41 1gmu s GLY 41 Ca -0.05 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.38 1gmu s GLY 41 CO 0.02 0.34 0.70 1.08 0.00 0.00 0.00 173.10 175.24 1gmu s LEU 42 N 1.26 4.07 -0.55 0.66 1.43 -0.15 -0.85 118.68 124.54 1gmu s LEU 42 Ca 0.03 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.03 1gmu s LEU 42 Cb -0.15 -2.97 0.24 0.00 0.03 0.00 0.00 46.19 43.34 1gmu s LEU 42 CO 0.00 -0.42 0.64 0.18 0.23 0.00 0.00 176.35 176.99 1gmu n LEU 43 N 5.79 2.41 -4.96 1.79 4.32 -0.19 -2.49 117.00 123.67 1gmu n LEU 43 Ca 0.02 -5.15 -0.20 0.00 -0.02 0.00 0.00 56.01 50.66 1gmu n LEU 43 Cb 0.48 -0.21 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1gmu n LEU 43 CO 0.44 2.04 0.02 -0.76 -1.22 0.00 0.00 177.39 177.91 1gmu s LEU 44 N -1.91 3.94 0.80 2.23 2.01 -0.01 -4.27 118.68 121.46 1gmu s LEU 44 Ca 0.37 -0.22 -0.11 0.00 0.01 0.00 0.00 54.13 54.19 1gmu s LEU 44 Cb 0.14 -2.67 0.07 0.00 0.01 0.00 0.00 46.19 43.75 1gmu s LEU 44 CO -0.06 -0.38 1.10 -2.16 1.01 0.00 0.00 176.35 175.87 1gmu s PRO 45 N -4.12 2.00 0.68 1.29 0.04 -1.26 -4.69 135.00 128.94 1gmu s PRO 45 Ca 0.43 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1gmu s PRO 45 Cb -0.09 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1gmu s PRO 45 CO 0.30 -1.85 1.08 1.03 0.04 0.00 0.00 177.00 177.60 1gmu s ARG 46 N -4.82 2.84 -0.47 4.56 1.81 -1.26 -4.16 118.95 117.46 1gmu s ARG 46 Ca 0.63 1.18 0.00 0.00 -1.72 0.00 0.00 55.73 55.81 1gmu s ARG 46 Cb -0.19 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.35 1gmu s ARG 46 CO 0.56 -1.19 0.00 0.41 -0.68 0.00 0.00 175.30 174.40 1gmu n GLY 47 N -1.18 0.72 3.92 -3.53 0.00 -1.26 -5.04 105.19 98.82 1gmu n GLY 47 Ca 0.09 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1gmu n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gmu s LEU 48 N -1.00 4.34 -0.31 0.99 1.43 -1.26 -5.07 118.68 117.81 1gmu s LEU 48 Ca 0.00 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1gmu s LEU 48 Cb 0.00 -2.98 0.09 0.00 0.03 0.00 0.00 46.19 43.33 1gmu s LEU 48 CO 0.00 0.12 0.02 -0.22 0.23 0.00 0.00 176.35 176.50 1gmu s LEU 49 N -2.73 3.78 -0.12 1.79 1.98 -1.26 -4.47 118.68 117.65 1gmu s LEU 49 Ca 0.35 -1.79 -0.30 0.00 -2.89 0.00 0.00 54.13 49.50 1gmu s LEU 49 Cb -0.12 -1.42 -0.02 0.00 0.66 0.00 0.00 46.19 45.29 1gmu s LEU 49 CO 0.28 -0.33 1.25 -0.76 -1.89 0.00 0.00 176.35 174.90 1gmu s LEU 50 N 1.13 4.22 0.12 -0.68 1.43 -0.10 -5.02 118.68 119.79 1gmu s LEU 50 Ca 0.05 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.94 1gmu s LEU 50 Cb -0.19 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1gmu s LEU 50 CO -0.10 -0.70 0.17 -0.13 0.23 0.00 0.00 176.35 175.83 1gmu s ARG 51 N 3.00 3.13 0.29 1.70 1.81 -1.26 -4.85 118.95 122.77 1gmu s ARG 51 Ca 0.56 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.58 1gmu s ARG 51 Cb -0.23 -2.81 -0.12 0.00 -0.45 0.00 0.00 34.95 31.33 1gmu s ARG 51 CO 0.18 0.53 1.42 0.41 -0.68 0.00 0.00 175.30 177.16 1gmu n GLY 52 N -0.12 0.88 0.00 -3.53 0.00 -1.26 -1.30 105.19 99.87 1gmu n GLY 52 Ca -0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1gmu n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gmu n GLY 53 N 1.62 3.32 3.75 -0.02 0.00 0.20 -4.97 105.19 109.09 1gmu n GLY 53 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1gmu n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gmu s ASP 54 N -1.10 4.94 -0.13 1.61 1.01 -0.42 -4.70 116.67 117.88 1gmu s ASP 54 Ca 0.00 2.33 0.02 0.00 0.71 0.00 0.00 52.55 55.62 1gmu s ASP 54 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1gmu s ASP 54 CO 0.00 -1.76 -0.21 -0.69 0.21 0.00 0.00 175.17 172.72 1gmu s VAL 55 N -1.78 1.97 0.14 -1.27 1.01 -1.26 -0.14 120.40 119.06 1gmu s VAL 55 Ca 0.75 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1gmu s VAL 55 Cb -0.29 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1gmu s VAL 55 CO 0.37 0.53 0.16 -0.76 0.00 0.00 0.00 175.10 175.41 1gmu s LEU 56 N 0.83 3.97 0.00 3.92 1.43 0.59 -1.33 118.68 128.09 1gmu s LEU 56 Ca -0.07 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1gmu s LEU 56 Cb -0.15 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1gmu s LEU 56 CO -0.02 0.09 0.00 -1.54 0.23 0.00 0.00 176.35 175.12 1gmu n SER 57 N -0.18 0.00 -2.35 2.29 3.41 -0.45 -0.34 113.62 115.99 1gmu n SER 57 Ca -0.08 -0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.16 1gmu n SER 57 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1gmu n SER 57 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1gmu n ASN 58 N -0.35 -0.93 -0.22 4.04 0.23 -1.26 -1.04 115.26 115.73 1gmu n ASN 58 Ca 0.00 -2.28 0.02 0.00 -0.53 0.00 0.00 54.58 51.79 1gmu n ASN 58 Cb 0.00 1.73 0.13 0.00 -2.08 0.00 0.00 39.78 39.55 1gmu n ASN 58 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1gmu h GLU 59 N 0.00 0.17 0.00 -3.83 4.57 -1.96 0.66 114.58 114.19 1gmu h GLU 59 Ca -0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1gmu h GLU 59 Cb 0.80 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1gmu h GLU 59 CO 0.25 0.11 0.00 -0.85 -1.18 0.00 0.00 179.01 177.34 1gmu n GLU 60 N -5.23 0.12 -4.05 1.92 0.00 -1.26 -4.89 120.64 107.26 1gmu n GLU 60 Ca 0.11 0.40 -0.29 0.00 0.00 0.00 0.00 57.16 57.38 1gmu n GLU 60 Cb 0.38 -1.75 -0.04 0.00 0.00 0.00 0.00 31.44 30.03 1gmu n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gmu n GLY 61 N -0.25 -0.28 0.00 -1.84 0.00 0.22 -4.85 105.19 98.20 1gmu n GLY 61 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1gmu n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmu n THR 62 N -4.48 0.00 -4.75 2.61 -2.24 -1.26 -5.00 114.28 99.16 1gmu n THR 62 Ca -0.29 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1gmu n THR 62 Cb 0.68 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 69.01 1gmu n THR 62 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1gmu s GLU 63 N -1.98 3.31 -0.22 -0.78 2.56 -1.26 -4.99 118.70 115.35 1gmu s GLU 63 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.97 54.30 1gmu s GLU 63 Cb 0.00 -2.63 0.06 0.00 2.00 0.00 0.00 34.13 33.56 1gmu s GLU 63 CO 0.00 0.27 -0.01 -0.06 -0.56 0.00 0.00 175.26 174.90 1gmu s PHE 64 N 0.21 1.80 -0.28 5.30 0.40 -1.26 -4.29 117.98 119.86 1gmu s PHE 64 Ca -0.07 -1.36 -0.09 0.00 -0.60 0.00 0.00 56.93 54.80 1gmu s PHE 64 Cb -0.15 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1gmu s PHE 64 CO 0.05 -0.70 0.13 0.08 0.70 0.00 0.00 175.22 175.48 1gmu s VAL 65 N 1.60 4.65 -0.05 -0.44 1.01 0.53 -0.32 120.40 127.38 1gmu s VAL 65 Ca -0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 1gmu s VAL 65 Cb -0.18 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1gmu s VAL 65 CO -0.07 0.21 0.92 -1.58 0.00 0.00 0.00 175.10 174.58 1gmu s GLN 66 N 1.65 4.49 0.02 2.72 0.74 -0.22 -0.30 119.66 128.76 1gmu s GLN 66 Ca 0.06 1.29 -0.23 0.00 0.05 0.00 0.00 55.36 56.52 1gmu s GLN 66 Cb -0.16 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 1gmu s GLN 66 CO 0.06 -0.11 0.69 0.08 -0.55 0.00 0.00 175.29 175.46 1gmu s VAL 67 N 1.27 4.82 -0.00 1.34 1.01 0.80 -0.95 120.40 128.69 1gmu s VAL 67 Ca 0.48 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1gmu s VAL 67 Cb -0.19 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1gmu s VAL 67 CO 0.23 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1gmu s ILE 68 N -0.10 1.24 -0.11 2.22 -1.09 0.08 0.60 121.20 124.06 1gmu s ILE 68 Ca 0.35 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 1gmu s ILE 68 Cb -0.19 -1.04 -0.02 0.00 -1.58 0.00 0.00 42.46 39.62 1gmu s ILE 68 CO 0.20 0.31 1.22 0.00 -1.23 0.00 0.00 174.94 175.44 1gmu s ALA 69 N -0.43 3.57 0.69 9.38 0.00 -1.26 -1.17 121.76 132.54 1gmu s ALA 69 Ca 0.06 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1gmu s ALA 69 Cb -0.06 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1gmu s ALA 69 CO -0.00 -0.94 1.07 0.00 0.00 0.00 0.00 175.76 175.88 1gmu s ALA 70 N 2.77 2.61 0.16 0.00 0.00 -0.17 -4.67 121.76 122.46 1gmu s ALA 70 Ca 0.55 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1gmu s ALA 70 Cb -0.23 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1gmu s ALA 70 CO 0.18 -1.26 1.18 -0.51 0.00 0.00 0.00 175.76 175.36 1gmu s ASP 71 N -3.54 7.11 0.17 0.00 1.01 -1.26 -3.92 116.67 116.25 1gmu s ASP 71 Ca 0.60 2.18 0.05 0.00 0.71 0.00 0.00 52.55 56.08 1gmu s ASP 71 Cb -0.15 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 1gmu s ASP 71 CO 0.52 -0.37 -0.10 -1.61 0.21 0.00 0.00 175.17 173.83 1gmu s GLU 72 N -0.02 1.16 -0.47 8.23 2.02 0.59 -4.76 118.70 125.44 1gmu s GLU 72 Ca 0.53 -1.52 -0.28 0.00 0.02 0.00 0.00 54.97 53.72 1gmu s GLU 72 Cb -0.32 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.19 1gmu s GLU 72 CO 0.35 0.07 1.46 -1.21 0.02 0.00 0.00 175.26 175.95 1gmu s GLU 73 N -3.74 3.41 0.10 1.61 2.02 -1.26 -1.49 118.70 119.34 1gmu s GLU 73 Ca 0.20 0.77 0.06 0.00 0.02 0.00 0.00 54.97 56.01 1gmu s GLU 73 Cb 0.02 -4.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 1gmu s GLU 73 CO 0.03 -1.78 -0.15 0.14 0.02 0.00 0.00 175.26 173.52 1gmu s VAL 74 N 5.93 1.29 0.16 2.63 -7.23 -0.65 -1.74 120.40 120.78 1gmu s VAL 74 Ca 0.59 -1.53 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 1gmu s VAL 74 Cb -0.13 -1.34 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 1gmu s VAL 74 CO 0.29 -0.29 0.66 -0.44 -0.31 0.00 0.00 175.10 175.01 1gmu s SER 75 N -2.09 7.05 -0.08 4.85 0.01 0.54 -1.90 113.70 122.08 1gmu s SER 75 Ca 0.04 1.34 0.04 0.00 1.31 0.00 0.00 55.95 58.68 1gmu s SER 75 Cb -0.08 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1gmu s SER 75 CO 0.03 0.13 -0.20 -0.69 0.41 0.00 0.00 173.24 172.91 1gmu s VAL 76 N -1.36 1.75 -0.38 3.43 1.01 0.79 -2.77 120.40 122.87 1gmu s VAL 76 Ca 0.38 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1gmu s VAL 76 Cb -0.18 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.78 1gmu s VAL 76 CO 0.21 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.23 1gmu s VAL 77 N 0.40 1.97 -0.31 2.92 1.01 -0.55 0.06 120.40 125.89 1gmu s VAL 77 Ca -0.16 -2.35 -0.13 0.00 0.00 0.00 0.00 61.98 59.34 1gmu s VAL 77 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1gmu s VAL 77 CO 0.07 -0.68 0.25 -0.13 0.00 0.00 0.00 175.10 174.60 1gmu s ARG 78 N 0.78 3.70 -0.03 2.72 0.52 -1.25 -1.02 118.95 124.37 1gmu s ARG 78 Ca 0.12 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.87 1gmu s ARG 78 Cb -0.20 -3.75 0.02 0.00 0.52 0.00 0.00 34.95 31.54 1gmu s ARG 78 CO -0.09 -0.35 0.06 0.00 0.02 0.00 0.00 175.30 174.94 1gmu n ASP 80 N 3.84 0.99 -4.23 0.00 3.85 -1.26 -4.41 116.55 115.33 1gmu n ASP 80 Ca -0.23 -1.48 -0.42 0.00 -0.71 0.00 0.00 54.79 51.96 1gmu n ASP 80 Cb 0.53 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 40.19 1gmu n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1gmu s ASP 81 N -1.75 5.86 0.52 -1.12 -1.08 -1.26 -4.95 116.67 112.88 1gmu s ASP 81 Ca 0.35 -2.15 0.22 0.00 -0.52 0.00 0.00 52.55 50.46 1gmu s ASP 81 Cb 0.18 -2.05 1.38 0.00 -1.46 0.00 0.00 42.92 40.97 1gmu s ASP 81 CO 0.29 -0.65 2.11 1.55 0.52 0.00 0.00 175.17 178.98 1gmu h PRO 82 N 8.21 0.00 -0.22 4.34 0.13 -1.99 -1.88 132.00 140.60 1gmu h PRO 82 Ca -0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1gmu h PRO 82 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1gmu h PRO 82 CO 0.85 0.09 0.04 0.35 -0.23 0.00 0.00 178.00 179.10 1gmu h PHE 83 N 0.00 0.37 -0.76 1.56 -0.00 -1.98 0.14 116.94 116.27 1gmu h PHE 83 Ca -0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.97 57.86 1gmu h PHE 83 Cb 0.19 -0.10 -0.03 0.00 -0.00 0.00 0.00 35.95 36.00 1gmu h PHE 83 CO 0.00 0.48 0.26 0.52 -0.00 0.00 0.00 178.31 179.57 1gmu h MET 84 N 0.16 1.17 -0.65 1.11 2.86 -1.89 -2.02 114.93 115.68 1gmu h MET 84 Ca 0.07 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1gmu h MET 84 Cb 0.30 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1gmu h MET 84 CO 0.00 0.98 0.12 -0.07 1.06 0.00 0.00 176.91 179.01 1gmu h LEU 85 N 1.13 1.00 -0.56 1.22 3.38 -1.05 -1.78 115.31 118.64 1gmu h LEU 85 Ca 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1gmu h LEU 85 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1gmu h LEU 85 CO -0.01 0.98 0.27 0.00 0.09 0.00 0.00 178.44 179.76 1gmu h ALA 86 N 1.14 0.72 -0.43 1.53 0.00 -0.34 0.06 119.26 121.93 1gmu h ALA 86 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1gmu h ALA 86 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1gmu h ALA 86 CO 0.01 0.29 0.02 0.87 0.00 0.00 0.00 179.25 180.44 1gmu h LYS 87 N 0.76 0.69 -0.49 0.00 1.57 -1.16 -1.78 116.57 116.16 1gmu h LYS 87 Ca 0.19 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1gmu h LYS 87 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1gmu h LYS 87 CO -0.02 0.69 -0.07 0.00 -0.57 0.00 0.00 179.45 179.48 1gmu h ALA 88 N 1.37 0.67 -0.89 3.86 0.00 -0.81 -2.34 119.26 121.12 1gmu h ALA 88 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gmu h ALA 88 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1gmu h ALA 88 CO 0.01 0.54 0.54 0.00 0.00 0.00 0.00 179.25 180.34 1gmu h TYR 90 N 1.22 0.55 -0.58 0.00 3.20 -1.18 0.65 116.97 120.82 1gmu h TYR 90 Ca 0.32 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1gmu h TYR 90 Cb -0.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1gmu h TYR 90 CO -0.00 0.51 0.28 0.00 -1.64 0.00 0.00 178.16 177.31 1gmu h ALA 91 N 0.97 0.75 -0.15 1.82 0.00 -1.01 -1.03 119.26 120.61 1gmu h ALA 91 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1gmu h ALA 91 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gmu h ALA 91 CO -0.01 0.31 -0.48 -0.07 0.00 0.00 0.00 179.25 179.00 1gmu h LEU 92 N 0.79 0.41 -0.48 0.00 3.38 -0.95 -2.69 115.31 115.77 1gmu h LEU 92 Ca 0.20 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1gmu h LEU 92 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1gmu h LEU 92 CO -0.03 0.83 0.10 1.23 0.09 0.00 0.00 178.44 180.66 1gmu h GLY 93 N 1.21 0.83 1.94 0.83 0.00 -0.53 -1.81 103.07 105.54 1gmu h GLY 93 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1gmu h GLY 93 CO 0.08 0.50 -0.01 3.43 0.00 0.00 0.00 176.54 180.54 1gmu h ASN 94 N 0.65 0.07 -0.21 0.19 2.35 -1.01 -0.74 115.58 116.89 1gmu h ASN 94 Ca 0.15 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1gmu h ASN 94 Cb 0.36 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1gmu h ASN 94 CO 0.01 0.10 0.00 0.54 -1.65 0.00 0.00 177.43 176.42 1gmu n ARG 95 N -4.48 1.75 -3.71 0.81 1.74 -0.97 -4.93 116.66 106.87 1gmu n ARG 95 Ca -0.02 -1.13 -0.28 0.00 -0.77 0.00 0.00 57.85 55.65 1gmu n ARG 95 Cb 0.13 -1.37 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1gmu n ARG 95 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gmu n HIS 96 N 0.37 -2.36 -3.00 -1.55 8.25 -0.28 -4.96 115.22 111.69 1gmu n HIS 96 Ca 0.15 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 1gmu n HIS 96 Cb 0.32 -4.17 -0.05 0.00 1.12 0.00 0.00 29.99 27.21 1gmu n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gmu s VAL 97 N -3.26 4.93 0.19 1.59 1.01 -0.73 -5.01 120.40 119.12 1gmu s VAL 97 Ca 0.59 1.38 -0.33 0.00 0.00 0.00 0.00 61.98 63.62 1gmu s VAL 97 Cb -0.29 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1gmu s VAL 97 CO 0.73 0.01 1.68 -2.65 0.00 0.00 0.00 175.10 174.87 1gmu n PRO 98 N 5.58 2.55 -4.03 2.72 -0.02 -1.26 -4.73 135.00 135.81 1gmu n PRO 98 Ca 0.02 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.28 1gmu n PRO 98 Cb 0.49 -2.74 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 1gmu n PRO 98 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1gmu s LEU 99 N 1.13 1.88 -0.22 2.45 2.96 -1.26 -4.50 118.68 121.12 1gmu s LEU 99 Ca 0.77 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1gmu s LEU 99 Cb -0.57 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 1gmu s LEU 99 CO 0.34 0.02 0.09 -1.58 -1.32 0.00 0.00 176.35 173.91 1gmu s GLN 100 N 0.09 3.91 -0.19 1.98 0.74 0.13 -0.47 119.66 125.86 1gmu s GLN 100 Ca -0.01 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 1gmu s GLN 100 Cb -0.03 -3.34 -0.00 0.00 1.10 0.00 0.00 33.01 30.73 1gmu s GLN 100 CO -0.00 0.08 -0.10 0.42 -0.55 0.00 0.00 175.29 175.13 1gmu s ILE 101 N 0.93 2.95 0.22 -2.34 1.01 -1.26 -1.54 121.20 121.18 1gmu s ILE 101 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1gmu s ILE 101 Cb -0.14 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1gmu s ILE 101 CO 0.03 0.47 -0.07 -0.04 0.00 0.00 0.00 174.94 175.34 1gmu s MET 102 N 1.20 1.35 -0.15 2.79 -1.94 0.08 -5.04 119.30 117.59 1gmu s MET 102 Ca 0.02 -1.65 -0.29 0.00 -1.71 0.00 0.00 55.69 52.06 1gmu s MET 102 Cb -0.14 -0.88 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 1gmu s MET 102 CO -0.04 0.03 1.77 -2.14 -0.01 0.00 0.00 175.02 174.63 1gmu s PRO 103 N -3.76 3.81 0.00 2.03 0.02 -1.26 -2.13 135.00 133.71 1gmu s PRO 103 Ca 0.25 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1gmu s PRO 103 Cb 0.03 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.45 1gmu s PRO 103 CO 0.08 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.86 1gmu n GLY 104 N 4.73 0.58 3.49 0.52 0.00 -1.26 -5.01 105.19 108.23 1gmu n GLY 104 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1gmu n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gmu s GLU 105 N -0.07 0.69 0.11 1.61 2.12 -0.90 -1.43 118.70 120.82 1gmu s GLU 105 Ca 0.00 0.83 0.09 0.00 0.36 0.00 0.00 54.97 56.25 1gmu s GLU 105 Cb 0.00 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1gmu s GLU 105 CO 0.00 -0.08 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.90 1gmu s LEU 106 N 0.35 2.31 -0.00 2.70 1.43 -0.19 -0.74 118.68 124.53 1gmu s LEU 106 Ca -0.00 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1gmu s LEU 106 Cb -0.04 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1gmu s LEU 106 CO 0.00 0.10 0.01 -0.13 0.23 0.00 0.00 176.35 176.56 1gmu s ARG 107 N -1.97 0.00 0.14 1.70 0.52 -0.59 -1.49 118.95 117.27 1gmu s ARG 107 Ca 0.09 0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.18 1gmu s ARG 107 Cb -0.10 -0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.37 1gmu s ARG 107 CO 0.05 -0.02 0.40 1.52 0.02 0.00 0.00 175.30 177.27 1gmu s TYR 108 N 0.13 -0.11 0.15 -0.53 -0.85 -1.12 -0.69 117.35 114.33 1gmu s TYR 108 Ca -0.01 -0.22 -0.34 0.00 -0.52 0.00 0.00 57.07 55.98 1gmu s TYR 108 Cb -0.02 0.24 -0.14 0.00 0.38 0.00 0.00 41.96 42.42 1gmu s TYR 108 CO -0.00 -0.73 1.59 0.72 -1.52 0.00 0.00 175.55 175.61 1gmu n HIS 109 N -0.23 2.27 -1.67 -3.49 8.25 -1.26 -0.34 115.22 118.75 1gmu n HIS 109 Ca -0.14 0.25 -0.56 0.00 -0.26 0.00 0.00 57.72 57.01 1gmu n HIS 109 Cb 0.63 -2.55 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 1gmu n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1gmu n HIS 110 N 3.60 1.85 -3.53 4.41 -0.00 -0.71 -4.52 115.22 116.32 1gmu n HIS 110 Ca 0.17 0.58 -0.16 0.00 0.46 0.00 0.00 57.72 58.78 1gmu n HIS 110 Cb 0.29 -2.41 -0.12 0.00 -0.12 0.00 0.00 29.99 27.62 1gmu n HIS 110 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1gmu s ASP 111 N 2.47 0.90 0.15 0.26 -1.08 -1.26 -4.92 116.67 113.19 1gmu s ASP 111 Ca 0.94 0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 52.85 1gmu s ASP 111 Cb -1.04 0.57 0.04 0.00 -1.46 0.00 0.00 42.92 41.03 1gmu s ASP 111 CO 0.59 -0.29 1.63 -0.74 0.52 0.00 0.00 175.17 176.88 1gmu h HIS 112 N 8.29 -0.67 -0.58 -5.34 -0.00 -2.00 -1.96 115.15 112.89 1gmu h HIS 112 Ca -0.16 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 1gmu h HIS 112 Cb 1.14 0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 1gmu h HIS 112 CO 0.22 -0.33 0.21 -0.24 -0.00 0.00 0.00 177.93 177.79 1gmu h VAL 113 N -0.24 1.21 -0.49 5.26 3.04 -2.00 -2.46 116.25 120.57 1gmu h VAL 113 Ca 0.15 -0.69 -0.05 0.00 -1.01 0.00 0.00 66.70 65.10 1gmu h VAL 113 Cb 0.47 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 1gmu h VAL 113 CO -0.41 0.27 0.11 -0.07 -1.01 0.00 0.00 177.57 176.46 1gmu h LEU 114 N 0.83 0.76 -0.37 3.16 3.38 -1.91 -1.84 115.31 119.32 1gmu h LEU 114 Ca 0.20 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1gmu h LEU 114 Cb 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1gmu h LEU 114 CO -0.02 0.80 0.08 0.44 0.09 0.00 0.00 178.44 179.84 1gmu h ASP 115 N 0.68 0.03 0.15 -0.43 3.32 -0.93 -1.58 116.42 117.65 1gmu h ASP 115 Ca 0.15 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1gmu h ASP 115 Cb 0.35 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1gmu h ASP 115 CO 0.00 0.05 -0.28 0.44 -1.72 0.00 0.00 179.24 177.74 1gmu h ASP 116 N 0.21 0.22 -0.57 6.45 3.32 -1.30 -1.28 116.42 123.47 1gmu h ASP 116 Ca 0.18 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1gmu h ASP 116 Cb 0.20 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1gmu h ASP 116 CO -0.23 0.50 0.16 -0.03 -1.72 0.00 0.00 179.24 177.93 1gmu h MET 117 N 0.20 0.89 -0.05 3.56 4.05 -0.52 -2.69 114.93 120.38 1gmu h MET 117 Ca 0.03 -0.20 -0.14 0.00 -0.28 0.00 0.00 59.70 59.11 1gmu h MET 117 Cb 0.60 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1gmu h MET 117 CO 0.04 0.82 -0.59 -0.07 0.23 0.00 0.00 176.91 177.34 1gmu h LEU 118 N 0.80 0.19 -1.76 3.39 3.38 -1.00 -2.76 115.31 117.55 1gmu h LEU 118 Ca 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gmu h LEU 118 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1gmu h LEU 118 CO -0.00 0.74 0.00 0.03 0.09 0.00 0.00 178.44 179.30 1gmu h ARG 119 N 0.13 0.00 0.00 1.13 3.08 -0.96 -1.30 114.38 116.46 1gmu h ARG 119 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1gmu h ARG 119 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1gmu h ARG 119 CO 0.09 0.00 -0.59 1.96 -1.07 0.00 0.00 179.97 180.36 1gmu h GLN 120 N 0.00 0.00 0.00 0.04 4.20 -1.18 -2.51 115.11 115.66 1gmu h GLN 120 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1gmu h GLN 120 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1gmu h GLN 120 CO 0.00 0.59 0.00 1.19 -0.67 0.00 0.00 178.83 179.94 1gmu n PHE 121 N -3.67 0.66 0.00 2.96 3.01 -0.51 -4.87 117.46 115.05 1gmu n PHE 121 Ca -0.01 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1gmu n PHE 121 Cb 0.62 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1gmu n PHE 121 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gmu n GLY 122 N 0.82 1.13 3.86 1.37 0.00 -0.95 -5.09 105.19 106.33 1gmu n GLY 122 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1gmu n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gmu s LEU 123 N 0.00 4.31 -0.22 0.99 1.43 -1.11 -5.02 118.68 119.06 1gmu s LEU 123 Ca 0.00 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 1gmu s LEU 123 Cb 0.00 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1gmu s LEU 123 CO 0.00 0.09 0.37 -0.89 0.23 0.00 0.00 176.35 176.15 1gmu s THR 124 N -1.52 5.21 -0.10 5.49 2.01 -1.26 -4.03 115.64 121.44 1gmu s THR 124 Ca 0.38 0.63 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1gmu s THR 124 Cb -0.14 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1gmu s THR 124 CO 0.19 0.24 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.44 1gmu s VAL 125 N 1.42 2.11 0.01 3.82 1.01 -1.26 -3.81 120.40 123.71 1gmu s VAL 125 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1gmu s VAL 125 Cb -0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1gmu s VAL 125 CO 0.08 0.56 0.00 0.35 0.00 0.00 0.00 175.10 176.09 1gmu n THR 126 N 3.54 0.00 -4.17 3.92 -2.24 0.11 -4.93 114.28 110.52 1gmu n THR 126 Ca -0.19 -0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1gmu n THR 126 Cb 0.53 0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1gmu n THR 126 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1gmu s PHE 127 N -1.22 1.12 0.13 4.78 2.19 -1.26 -0.15 117.98 123.57 1gmu s PHE 127 Ca 0.00 -0.54 -0.24 0.00 0.33 0.00 0.00 56.93 56.48 1gmu s PHE 127 Cb 0.00 -0.62 0.07 0.00 -1.31 0.00 0.00 43.02 41.16 1gmu s PHE 127 CO 0.00 0.03 0.68 0.20 1.83 0.00 0.00 175.22 177.97 1gmu s GLY 128 N -2.02 -0.55 -0.58 13.12 0.00 -0.80 -4.90 107.32 111.60 1gmu s GLY 128 Ca 0.01 0.57 -0.13 0.00 0.00 0.00 0.00 44.72 45.16 1gmu s GLY 128 CO 0.01 0.19 0.50 1.20 0.00 0.00 0.00 173.10 175.00 1gmu s GLN 129 N -3.60 2.94 0.07 2.90 -1.52 -1.26 -1.64 119.66 117.55 1gmu s GLN 129 Ca 0.03 -1.91 -0.00 0.00 -1.95 0.00 0.00 55.36 51.53 1gmu s GLN 129 Cb -0.01 -4.19 -0.04 0.00 -0.22 0.00 0.00 33.01 28.55 1gmu s GLN 129 CO -0.11 -1.28 -0.02 -0.51 -0.25 0.00 0.00 175.29 173.12 1gmu s LEU 130 N 1.19 2.40 0.47 2.90 1.43 -0.56 -4.68 118.68 121.83 1gmu s LEU 130 Ca 0.07 -1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 51.90 1gmu s LEU 130 Cb -0.25 0.16 -0.07 0.00 0.03 0.00 0.00 46.19 46.06 1gmu s LEU 130 CO -0.01 -0.59 1.33 -2.16 0.23 0.00 0.00 176.35 175.15 1gmu s PRO 131 N -3.92 3.61 -0.20 1.29 0.04 -1.25 -0.30 135.00 134.27 1gmu s PRO 131 Ca 0.10 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1gmu s PRO 131 Cb 0.07 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 32.13 1gmu s PRO 131 CO -0.07 -0.80 -0.12 0.12 0.04 0.00 0.00 177.00 176.17 1gmu s PHE 132 N -1.30 2.55 -0.57 0.56 5.36 -1.25 -4.88 117.98 118.45 1gmu s PHE 132 Ca 0.63 -1.66 0.04 0.00 -0.96 0.00 0.00 56.93 54.98 1gmu s PHE 132 Cb -0.39 -1.71 0.16 0.00 -0.34 0.00 0.00 43.02 40.74 1gmu s PHE 132 CO 0.48 -0.76 0.40 -1.21 -1.46 0.00 0.00 175.22 172.67 1gmu s GLU 133 N 1.35 1.82 0.73 10.12 0.41 -1.26 -4.64 118.70 127.23 1gmu s GLU 133 Ca -0.01 -2.77 -0.14 0.00 -0.41 0.00 0.00 54.97 51.65 1gmu s GLU 133 Cb -0.16 -2.68 0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1gmu s GLU 133 CO -0.09 -1.29 1.15 -1.25 -0.49 0.00 0.00 175.26 173.29 1gmu s PRO 134 N -0.71 2.25 0.55 0.39 0.04 -1.26 -4.49 135.00 131.77 1gmu s PRO 134 Ca 0.26 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 1gmu s PRO 134 Cb -0.06 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1gmu s PRO 134 CO -0.15 -1.71 1.22 0.39 0.04 0.00 0.00 177.00 176.80 1gmu n GLU 135 N -2.90 1.41 -0.26 4.56 -0.58 0.38 -4.87 120.64 118.38 1gmu n GLU 135 Ca 0.12 0.53 0.09 0.00 -0.42 0.00 0.00 57.16 57.47 1gmu n GLU 135 Cb 0.51 -2.41 0.34 0.00 -0.57 0.00 0.00 31.44 29.32 1gmu n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gmu h ALA 136 N 1.14 1.74 0.00 0.62 0.00 -1.92 0.87 119.26 121.71 1gmu h ALA 136 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gmu h ALA 136 Cb 1.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1gmu h ALA 136 CO 0.55 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1gmu n GLY 137 N -1.42 -0.74 0.23 0.00 0.00 -1.26 -5.19 105.19 96.80 1gmu n GLY 137 Ca 0.16 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1gmu n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32