#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g s SER 2 N 0.00 6.37 0.12 1.61 1.04 -1.26 -5.10 113.70 116.48 1x5g s SER 2 Ca 0.00 0.38 -0.25 0.00 0.48 0.00 0.00 55.95 56.56 1x5g s SER 2 Cb 0.00 -2.00 0.08 0.00 0.10 0.00 0.00 66.02 64.21 1x5g s SER 2 CO 0.00 -0.08 1.11 -0.94 0.98 0.00 0.00 173.24 174.31 1x5g s SER 3 N -3.34 -0.03 0.00 7.02 1.04 -1.26 -5.19 113.70 111.94 1x5g s SER 3 Ca 0.38 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x5g s SER 3 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x5g s SER 3 CO 0.30 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1x5g n GLY 4 N -0.68 -0.67 3.26 7.32 0.00 -1.26 -5.17 105.19 108.00 1x5g n GLY 4 Ca -0.03 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5g s SER 5 N -4.00 0.31 -0.14 1.61 0.15 -1.26 -5.16 113.70 105.22 1x5g s SER 5 Ca 0.00 -1.38 -0.07 0.00 0.70 0.00 0.00 55.95 55.20 1x5g s SER 5 Cb 0.00 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1x5g s SER 5 CO 0.00 -0.91 0.10 -0.44 1.20 0.00 0.00 173.24 173.19 1x5g s SER 6 N -3.17 6.07 0.00 5.45 0.01 -1.26 -5.07 113.70 115.73 1x5g s SER 6 Ca 0.37 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1x5g s SER 6 Cb 0.05 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1x5g s SER 6 CO 0.14 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1x5g n GLY 7 N 2.49 1.61 3.10 3.44 0.00 -1.26 -5.18 105.19 109.39 1x5g n GLY 7 Ca -0.19 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1x5g n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x5g s ARG 8 N -0.23 0.62 -0.10 1.61 1.70 -1.26 -5.15 118.95 116.14 1x5g s ARG 8 Ca 0.00 -0.86 -0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1x5g s ARG 8 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 33.97 1x5g s ARG 8 CO 0.00 0.07 -0.08 0.08 -1.08 0.00 0.00 175.30 174.29 1x5g s VAL 9 N -1.61 3.61 0.53 4.99 1.01 -1.26 -5.10 120.40 122.56 1x5g s VAL 9 Ca -0.06 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1x5g s VAL 9 Cb -0.08 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1x5g s VAL 9 CO 0.00 0.56 1.17 -1.83 0.00 0.00 0.00 175.10 175.00 1x5g s GLU 10 N -0.37 3.40 0.59 2.72 1.03 -1.26 -5.04 118.70 119.76 1x5g s GLU 10 Ca 0.05 1.73 0.01 0.00 0.03 0.00 0.00 54.97 56.79 1x5g s GLU 10 Cb -0.12 -2.12 0.05 0.00 -0.80 0.00 0.00 34.13 31.13 1x5g s GLU 10 CO 0.02 -0.84 0.82 0.95 -1.33 0.00 0.00 175.26 174.89 1x5g s THR 11 N -1.65 2.55 0.02 1.83 -4.23 -1.26 -5.11 115.64 107.79 1x5g s THR 11 Ca 0.71 -0.63 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1x5g s THR 11 Cb -0.27 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1x5g s THR 11 CO 0.31 0.00 -0.20 -1.10 -0.54 0.00 0.00 174.62 173.09 1x5g s GLN 12 N -4.85 2.10 0.00 3.99 -0.21 -1.26 -5.14 119.66 114.29 1x5g s GLN 12 Ca 0.59 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1x5g s GLN 12 Cb -0.10 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1x5g s GLN 12 CO 0.40 0.55 0.00 -0.35 -2.12 0.00 0.00 175.29 173.77 1x5g n PRO 13 N 1.83 -0.65 -1.69 2.91 -0.04 -1.26 -4.90 135.00 131.21 1x5g n PRO 13 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1x5g n PRO 13 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1x5g n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5g n GLU 14 N -1.23 2.79 -3.73 0.54 -0.58 -1.26 -4.98 120.64 112.19 1x5g n GLU 14 Ca 0.00 1.01 -0.14 0.00 -0.42 0.00 0.00 57.16 57.62 1x5g n GLU 14 Cb 0.00 -2.91 -0.09 0.00 -0.57 0.00 0.00 31.44 27.87 1x5g n GLU 14 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x5g s VAL 15 N 2.68 0.02 0.00 2.62 1.01 -1.26 -5.04 120.40 120.43 1x5g s VAL 15 Ca 0.82 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1x5g s VAL 15 Cb -0.48 -0.61 -0.24 0.00 0.00 0.00 0.00 36.38 35.05 1x5g s VAL 15 CO 0.37 -0.11 3.40 0.00 0.00 0.00 0.00 175.10 178.76 1x5g n GLN 16 N 2.08 1.86 -4.48 2.72 6.02 -1.26 -4.84 117.38 119.47 1x5g n GLN 16 Ca -0.17 -0.88 -0.24 0.00 -0.01 0.00 0.00 57.00 55.70 1x5g n GLN 16 Cb 0.57 -1.89 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x5g s LEU 17 N 0.00 2.63 0.72 1.08 1.02 -1.26 -4.77 118.68 118.11 1x5g s LEU 17 Ca 0.59 -1.12 -0.12 0.00 0.02 0.00 0.00 54.13 53.50 1x5g s LEU 17 Cb 0.28 -0.96 0.03 0.00 0.02 0.00 0.00 46.19 45.56 1x5g s LEU 17 CO 0.00 -0.12 1.10 -2.16 0.02 0.00 0.00 176.35 175.19 1x5g s PRO 18 N -3.59 2.49 0.60 1.29 0.04 -1.26 -4.71 135.00 129.85 1x5g s PRO 18 Ca 0.30 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1x5g s PRO 18 Cb -0.01 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.70 1x5g s PRO 18 CO 0.14 -1.48 0.82 0.20 0.04 0.00 0.00 177.00 176.73 1x5g s GLY 19 N -3.03 1.76 0.24 0.56 0.00 -1.26 -3.64 107.32 101.94 1x5g s GLY 19 Ca 0.64 -1.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 1x5g s GLY 19 CO 0.50 -1.53 1.28 2.56 0.00 0.00 0.00 173.10 175.90 1x5g s PRO 20 N -4.76 4.42 -0.01 2.90 0.04 -1.26 -4.67 135.00 131.66 1x5g s PRO 20 Ca 0.62 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 1x5g s PRO 20 Cb -0.06 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1x5g s PRO 20 CO 0.40 -0.17 1.96 0.00 0.04 0.00 0.00 177.00 179.23 1x5g s ALA 21 N -0.36 3.47 1.14 8.56 0.00 -1.26 -4.60 121.76 128.71 1x5g s ALA 21 Ca 0.53 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 1x5g s ALA 21 Cb -0.36 -3.87 0.17 0.00 0.00 0.00 0.00 23.12 19.06 1x5g s ALA 21 CO 0.42 -1.72 0.59 -0.35 0.00 0.00 0.00 175.76 174.70 1x5g n PRO 22 N 7.66 -2.18 -3.76 0.00 -0.04 -1.21 -4.05 135.00 131.43 1x5g n PRO 22 Ca 0.21 -0.95 -0.25 0.00 -0.04 0.00 0.00 63.50 62.47 1x5g n PRO 22 Cb 0.42 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 1x5g n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5g n ASN 23 N -4.02 0.08 -4.56 3.54 5.03 -1.26 -1.69 115.26 112.38 1x5g n ASN 23 Ca 0.08 -0.91 -0.41 0.00 0.87 0.00 0.00 54.58 54.21 1x5g n ASN 23 Cb 0.32 -1.14 -0.03 0.00 -1.02 0.00 0.00 39.78 37.91 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1x5g s LEU 24 N -5.93 3.26 0.19 3.41 2.96 -1.26 -3.89 118.68 117.43 1x5g s LEU 24 Ca 0.18 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1x5g s LEU 24 Cb -0.11 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1x5g s LEU 24 CO 0.72 -1.75 -0.04 -0.13 -1.32 0.00 0.00 176.35 173.83 1x5g s ARG 25 N 5.56 2.25 -0.17 1.98 1.81 0.61 -5.01 118.95 125.97 1x5g s ARG 25 Ca 0.39 -1.22 -0.09 0.00 -1.72 0.00 0.00 55.73 53.09 1x5g s ARG 25 Cb -0.08 -2.25 0.06 0.00 -0.45 0.00 0.00 34.95 32.23 1x5g s ARG 25 CO 0.19 0.43 0.42 0.00 -0.68 0.00 0.00 175.30 175.65 1x5g s ALA 26 N -1.82 -1.07 -0.02 2.13 0.00 -1.26 -1.80 121.76 117.91 1x5g s ALA 26 Ca 0.27 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 1x5g s ALA 26 Cb -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1x5g s ALA 26 CO 0.17 -0.32 0.24 1.52 0.00 0.00 0.00 175.76 177.37 1x5g s TYR 27 N 1.55 -0.11 -0.39 0.00 1.13 -0.76 -5.00 117.35 113.76 1x5g s TYR 27 Ca -0.09 0.18 -0.23 0.00 -1.41 0.00 0.00 57.07 55.53 1x5g s TYR 27 Cb -0.09 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1x5g s TYR 27 CO -0.13 -0.31 0.78 0.00 -2.51 0.00 0.00 175.55 173.37 1x5g s ALA 28 N -1.13 3.38 0.08 9.51 0.00 -1.26 -1.20 121.76 131.14 1x5g s ALA 28 Ca -0.12 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1x5g s ALA 28 Cb -0.06 -3.39 -0.22 0.00 0.00 0.00 0.00 23.12 19.46 1x5g s ALA 28 CO 0.03 -1.63 1.21 0.00 0.00 0.00 0.00 175.76 175.36 1x5g h ALA 29 N 8.66 0.16 -2.26 0.00 0.00 -1.89 -3.44 119.26 120.50 1x5g h ALA 29 Ca -0.25 -0.67 -0.24 0.00 0.00 0.00 0.00 54.91 53.76 1x5g h ALA 29 Cb 1.09 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1x5g h ALA 29 CO 0.92 0.66 -0.68 -1.12 0.00 0.00 0.00 179.25 179.04 1x5g s SER 30 N -7.22 1.09 0.00 0.00 0.01 -1.22 -5.01 113.70 101.35 1x5g s SER 30 Ca -0.10 -1.07 0.13 0.00 1.31 0.00 0.00 55.95 56.22 1x5g s SER 30 Cb 0.07 0.12 0.76 0.00 0.21 0.00 0.00 66.02 67.18 1x5g s SER 30 CO 0.91 -0.51 1.19 -0.81 0.41 0.00 0.00 173.24 174.43 1x5g n PRO 31 N -0.10 0.49 0.00 12.44 -0.04 -1.26 -2.12 135.00 144.42 1x5g n PRO 31 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1x5g n PRO 31 Cb 0.62 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1x5g n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5g n THR 32 N -0.91 0.03 -4.18 0.52 -2.24 -1.26 -3.76 114.28 102.48 1x5g n THR 32 Ca 0.10 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1x5g n THR 32 Cb 0.04 1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.77 1x5g n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5g s SER 33 N -0.03 0.58 -0.18 3.42 1.04 -0.90 -0.42 113.70 117.21 1x5g s SER 33 Ca 0.00 -1.42 -0.09 0.00 0.48 0.00 0.00 55.95 54.92 1x5g s SER 33 Cb 0.00 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1x5g s SER 33 CO 0.00 -1.00 0.42 -0.63 0.98 0.00 0.00 173.24 173.01 1x5g s ILE 34 N -3.82 -0.18 -0.20 -1.02 1.01 -0.40 -3.46 121.20 113.12 1x5g s ILE 34 Ca 0.36 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 1x5g s ILE 34 Cb 0.04 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1x5g s ILE 34 CO 0.16 0.05 0.13 -0.89 0.00 0.00 0.00 174.94 174.39 1x5g s THR 35 N 1.72 5.41 -0.07 2.92 2.01 -0.34 -1.31 115.64 125.97 1x5g s THR 35 Ca -0.08 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1x5g s THR 35 Cb -0.09 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 1x5g s THR 35 CO -0.13 0.44 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.32 1x5g s VAL 36 N 0.38 1.91 -0.06 3.82 1.01 -0.68 -1.82 120.40 124.95 1x5g s VAL 36 Ca 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1x5g s VAL 36 Cb -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1x5g s VAL 36 CO -0.02 0.53 -0.13 0.42 0.00 0.00 0.00 175.10 175.90 1x5g s THR 37 N 0.08 1.19 0.31 3.92 -4.23 -0.75 -2.17 115.64 113.99 1x5g s THR 37 Ca -0.09 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1x5g s THR 37 Cb -0.15 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1x5g s THR 37 CO 0.05 0.37 0.13 -1.66 -0.54 0.00 0.00 174.62 172.97 1x5g s TRP 38 N 0.59 1.66 0.32 3.99 -2.14 -1.23 -0.29 118.94 121.85 1x5g s TRP 38 Ca -0.14 -1.26 0.08 0.00 2.66 0.00 0.00 56.10 57.44 1x5g s TRP 38 Cb -0.15 -0.97 -0.06 0.00 -3.10 0.00 0.00 33.47 29.18 1x5g s TRP 38 CO 0.04 -0.38 -0.08 -1.21 -2.66 0.00 0.00 176.95 172.66 1x5g s GLU 39 N -3.86 1.73 -0.02 3.25 0.41 -0.68 -4.78 118.70 114.75 1x5g s GLU 39 Ca 0.34 -1.89 -0.24 0.00 -0.41 0.00 0.00 54.97 52.77 1x5g s GLU 39 Cb 0.06 -1.52 -0.04 0.00 -1.78 0.00 0.00 34.13 30.85 1x5g s GLU 39 CO 0.16 0.10 0.72 0.99 -0.49 0.00 0.00 175.26 176.74 1x5g s THR 40 N -2.75 4.93 -0.37 3.63 2.01 -1.26 -3.29 115.64 118.54 1x5g s THR 40 Ca 0.32 1.51 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 1x5g s THR 40 Cb 0.03 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1x5g s THR 40 CO 0.15 0.30 1.71 -2.16 -0.69 0.00 0.00 174.62 173.93 1x5g s PRO 41 N 0.43 3.34 0.55 4.92 0.04 -1.26 -4.66 135.00 138.36 1x5g s PRO 41 Ca 0.38 1.25 0.39 0.00 0.04 0.00 0.00 61.00 63.06 1x5g s PRO 41 Cb -0.19 -4.17 1.59 0.00 0.04 0.00 0.00 34.50 31.77 1x5g s PRO 41 CO 0.20 -1.85 1.77 -0.39 0.04 0.00 0.00 177.00 176.76 1x5g h VAL 42 N 6.73 0.34 -4.28 -0.36 -1.51 -1.94 -3.40 116.25 111.82 1x5g h VAL 42 Ca -0.32 -0.00 -0.50 0.00 -1.23 0.00 0.00 66.70 64.65 1x5g h VAL 42 Cb 1.15 0.34 0.06 0.00 -2.13 0.00 0.00 31.29 30.71 1x5g h VAL 42 CO 1.06 0.00 0.38 -0.44 -1.23 0.00 0.00 177.57 177.34 1x5g s SER 43 N -4.94 6.04 0.00 4.19 0.01 -1.26 -5.02 113.70 112.72 1x5g s SER 43 Ca -0.05 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1x5g s SER 43 Cb 0.24 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1x5g s SER 43 CO 0.82 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1x5g n GLY 44 N -2.75 0.34 0.90 3.44 0.00 -1.26 -4.39 105.19 101.46 1x5g n GLY 44 Ca 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1x5g n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5g n ASN 45 N 3.00 0.47 -4.49 1.61 2.85 -1.26 -5.02 115.26 112.41 1x5g n ASN 45 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 1x5g n ASN 45 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 1x5g n ASN 45 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1x5g s GLY 46 N -4.88 2.06 0.26 8.20 0.00 -1.26 -5.11 107.32 106.60 1x5g s GLY 46 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 44.72 42.38 1x5g s GLY 46 CO 0.00 -1.93 1.56 -0.54 0.00 0.00 0.00 173.10 172.19 1x5g s GLU 47 N -3.71 4.17 0.08 2.90 0.41 -1.26 -4.91 118.70 116.38 1x5g s GLU 47 Ca 0.32 2.49 -0.31 0.00 -0.41 0.00 0.00 54.97 57.06 1x5g s GLU 47 Cb 0.05 -3.06 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 1x5g s GLU 47 CO 0.15 -0.58 1.77 0.42 -0.49 0.00 0.00 175.26 176.52 1x5g s ILE 48 N 0.19 2.87 -0.04 -1.63 -1.09 -1.26 -4.66 121.20 115.58 1x5g s ILE 48 Ca 0.64 0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 59.14 1x5g s ILE 48 Cb -0.46 -3.17 -0.12 0.00 -1.58 0.00 0.00 42.46 37.14 1x5g s ILE 48 CO 0.44 -0.01 0.77 1.56 -1.23 0.00 0.00 174.94 176.47 1x5g h GLN 49 N 8.83 -0.43 -2.87 2.79 1.08 -1.83 -3.48 115.11 119.20 1x5g h GLN 49 Ca -0.45 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 56.68 1x5g h GLN 49 Cb 1.21 0.10 -0.20 0.00 -0.05 0.00 0.00 27.48 28.54 1x5g h GLN 49 CO 0.94 -0.16 -0.19 1.21 -0.95 0.00 0.00 178.83 179.68 1x5g s ASN 50 N -5.09 -0.27 -0.28 1.46 2.47 -1.23 -5.06 114.94 106.93 1x5g s ASN 50 Ca -0.10 0.17 -0.18 0.00 0.42 0.00 0.00 52.86 53.18 1x5g s ASN 50 Cb 0.01 0.36 -0.02 0.00 -1.45 0.00 0.00 41.25 40.14 1x5g s ASN 50 CO 0.34 -0.49 0.50 -0.31 -3.72 0.00 0.00 177.10 173.42 1x5g s TYR 51 N -1.42 3.24 -0.57 0.43 2.02 -0.91 -3.53 117.35 116.61 1x5g s TYR 51 Ca -0.12 0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 56.87 1x5g s TYR 51 Cb -0.04 -2.76 0.08 0.00 -0.40 0.00 0.00 41.96 38.84 1x5g s TYR 51 CO 0.05 -0.34 0.73 0.21 -1.57 0.00 0.00 175.55 174.63 1x5g s LYS 52 N 2.30 3.11 -0.17 -0.62 2.47 -0.83 -2.76 119.74 123.24 1x5g s LYS 52 Ca 0.20 -1.00 -0.10 0.00 -1.56 0.00 0.00 55.97 53.51 1x5g s LYS 52 Cb -0.16 -4.18 -0.05 0.00 -1.46 0.00 0.00 37.83 31.99 1x5g s LYS 52 CO 0.10 -1.46 0.16 -1.17 0.16 0.00 0.00 175.35 173.15 1x5g s LEU 53 N 2.98 4.27 0.29 5.43 2.96 -1.18 -1.00 118.68 132.44 1x5g s LEU 53 Ca 0.16 0.36 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1x5g s LEU 53 Cb -0.20 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1x5g s LEU 53 CO 0.10 0.24 0.03 -0.31 -1.32 0.00 0.00 176.35 175.09 1x5g s TYR 54 N -0.06 2.68 -0.22 5.38 1.51 -0.71 -1.25 117.35 124.68 1x5g s TYR 54 Ca 0.12 -0.29 -0.26 0.00 -1.01 0.00 0.00 57.07 55.63 1x5g s TYR 54 Cb -0.12 -1.34 0.08 0.00 -0.11 0.00 0.00 41.96 40.48 1x5g s TYR 54 CO 0.01 0.54 0.79 1.52 -1.11 0.00 0.00 175.55 177.30 1x5g s TYR 55 N -2.37 -0.68 0.18 2.71 1.13 -1.23 -3.48 117.35 113.61 1x5g s TYR 55 Ca 0.33 1.55 -0.21 0.00 -1.41 0.00 0.00 57.07 57.33 1x5g s TYR 55 Cb -0.05 0.33 0.05 0.00 -1.10 0.00 0.00 41.96 41.19 1x5g s TYR 55 CO 0.20 -0.39 0.59 0.00 -2.51 0.00 0.00 175.55 173.44 1x5g s MET 56 N -0.04 1.34 -0.49 -3.49 0.23 -0.95 -2.31 119.30 113.59 1x5g s MET 56 Ca -0.02 -0.62 -0.18 0.00 -1.03 0.00 0.00 55.69 53.84 1x5g s MET 56 Cb -0.04 0.57 0.06 0.00 -1.53 0.00 0.00 34.83 33.89 1x5g s MET 56 CO 0.01 -0.58 0.55 -2.00 -2.03 0.00 0.00 175.02 170.97 1x5g s GLU 57 N -3.80 3.08 -0.45 3.16 2.12 -1.26 -0.89 118.70 120.67 1x5g s GLU 57 Ca 0.04 -1.01 -0.16 0.00 0.36 0.00 0.00 54.97 54.20 1x5g s GLU 57 Cb -0.01 -4.10 -0.10 0.00 0.26 0.00 0.00 34.13 30.17 1x5g s GLU 57 CO -0.09 -1.15 1.26 1.17 -0.54 0.00 0.00 175.26 175.91 1x5g n LYS 58 N 5.87 0.00 0.00 4.30 3.00 -1.09 -0.04 118.16 130.20 1x5g n LYS 58 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1x5g n LYS 58 Cb 0.45 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.76 1x5g n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5g n GLY 59 N 3.16 3.56 0.41 3.14 0.00 -1.26 -4.94 105.19 109.26 1x5g n GLY 59 Ca 0.31 -0.76 0.22 0.00 0.00 0.00 0.00 46.02 45.79 1x5g n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x5g h THR 60 N 0.00 0.68 -1.21 2.61 2.02 -0.86 -3.45 112.91 112.70 1x5g h THR 60 Ca 0.00 -0.02 -0.26 0.00 0.77 0.00 0.00 66.41 66.90 1x5g h THR 60 Cb 0.00 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1x5g h THR 60 CO 0.00 0.01 -0.28 0.47 0.37 0.00 0.00 175.52 176.09 1x5g n ASP 61 N -4.36 -4.29 -3.65 4.18 8.00 -1.26 -4.98 116.55 110.19 1x5g n ASP 61 Ca 0.14 0.15 -0.05 0.00 0.71 0.00 0.00 54.79 55.74 1x5g n ASP 61 Cb 0.72 -3.19 -0.07 0.00 -0.02 0.00 0.00 41.12 38.56 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1x5g s LYS 62 N -3.85 0.46 0.13 -1.24 2.47 -1.26 -5.16 119.74 111.27 1x5g s LYS 62 Ca 0.00 1.23 0.02 0.00 -1.56 0.00 0.00 55.97 55.66 1x5g s LYS 62 Cb 0.00 0.57 -0.04 0.00 -1.46 0.00 0.00 37.83 36.90 1x5g s LYS 62 CO 0.00 -0.22 0.23 -1.83 0.16 0.00 0.00 175.35 173.69 1x5g s GLU 63 N 2.67 3.32 0.24 4.03 1.03 -1.26 -4.68 118.70 124.05 1x5g s GLU 63 Ca -0.04 -0.61 0.02 0.00 0.03 0.00 0.00 54.97 54.37 1x5g s GLU 63 Cb -0.12 -2.92 0.02 0.00 -0.80 0.00 0.00 34.13 30.32 1x5g s GLU 63 CO -0.16 0.54 0.18 1.04 -1.33 0.00 0.00 175.26 175.53 1x5g n GLN 64 N -0.28 1.13 -3.79 -4.83 1.13 -0.98 -4.94 117.38 104.82 1x5g n GLN 64 Ca -0.07 -1.52 -0.14 0.00 -1.94 0.00 0.00 57.00 53.33 1x5g n GLN 64 Cb 0.53 0.16 -0.15 0.00 0.11 0.00 0.00 30.24 30.90 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1x5g s ASP 65 N -2.43 -0.02 -0.06 1.08 -4.77 -1.26 -3.56 116.67 105.65 1x5g s ASP 65 Ca 0.14 0.13 0.02 0.00 -3.30 0.00 0.00 52.55 49.53 1x5g s ASP 65 Cb -0.01 0.05 0.02 0.00 -1.09 0.00 0.00 42.92 41.89 1x5g s ASP 65 CO 0.09 -0.10 -0.10 0.68 0.70 0.00 0.00 175.17 176.44 1x5g s VAL 66 N 0.78 0.94 0.11 2.11 -7.23 -0.38 -5.02 120.40 111.71 1x5g s VAL 66 Ca -0.06 -0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 59.44 1x5g s VAL 66 Cb -0.09 -0.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 1x5g s VAL 66 CO -0.03 0.31 1.39 -0.62 -0.31 0.00 0.00 175.10 175.84 1x5g s ASP 67 N 0.80 6.83 -0.05 4.85 -1.08 -1.26 -3.10 116.67 123.65 1x5g s ASP 67 Ca -0.12 2.32 -0.04 0.00 -0.52 0.00 0.00 52.55 54.19 1x5g s ASP 67 Cb -0.15 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 1x5g s ASP 67 CO 0.02 -0.65 0.12 -0.69 0.52 0.00 0.00 175.17 174.49 1x5g s VAL 68 N 1.12 -0.01 -0.38 1.11 1.01 -1.11 -5.01 120.40 117.12 1x5g s VAL 68 Ca 0.64 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1x5g s VAL 68 Cb -0.37 -0.19 0.44 0.00 0.00 0.00 0.00 36.38 36.26 1x5g s VAL 68 CO 0.30 0.02 1.11 -1.20 0.00 0.00 0.00 175.10 175.33 1x5g n SER 69 N 3.30 4.25 -3.57 3.32 7.64 -1.26 -2.14 113.62 125.16 1x5g n SER 69 Ca -0.16 -3.53 -0.10 0.00 1.01 0.00 0.00 58.87 56.08 1x5g n SER 69 Cb 0.57 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1x5g n SER 69 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5g s SER 70 N -3.52 -0.44 -0.23 6.43 0.01 -1.26 -5.03 113.70 109.65 1x5g s SER 70 Ca 0.45 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1x5g s SER 70 Cb 0.41 0.62 0.32 0.00 0.21 0.00 0.00 66.02 67.57 1x5g s SER 70 CO -0.10 -1.06 1.51 1.41 0.41 0.00 0.00 173.24 175.42 1x5g n HIS 71 N -0.38 1.51 -3.55 2.43 8.25 -1.26 -4.77 115.22 117.45 1x5g n HIS 71 Ca -0.13 -1.25 -0.00 0.00 -0.26 0.00 0.00 57.72 56.07 1x5g n HIS 71 Cb 0.63 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x5g s SER 72 N -0.10 -0.42 0.05 0.41 1.04 -1.26 -3.48 113.70 109.95 1x5g s SER 72 Ca 0.28 0.63 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 1x5g s SER 72 Cb 0.24 1.29 -0.04 0.00 0.10 0.00 0.00 66.02 67.60 1x5g s SER 72 CO 0.05 -0.10 -0.03 -0.47 0.98 0.00 0.00 173.24 173.67 1x5g s TYR 73 N 1.64 0.53 -0.10 5.02 5.04 -0.92 -5.02 117.35 123.53 1x5g s TYR 73 Ca -0.06 -1.06 -0.01 0.00 -2.44 0.00 0.00 57.07 53.50 1x5g s TYR 73 Cb -0.04 -0.39 0.03 0.00 0.35 0.00 0.00 41.96 41.90 1x5g s TYR 73 CO -0.15 -0.37 -0.05 0.99 -1.34 0.00 0.00 175.55 174.63 1x5g s THR 74 N -3.91 0.86 -0.45 4.34 2.01 -1.26 -1.69 115.64 115.54 1x5g s THR 74 Ca 0.07 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1x5g s THR 74 Cb 0.08 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.74 1x5g s THR 74 CO -0.10 0.33 0.34 -0.63 -0.69 0.00 0.00 174.62 173.87 1x5g s ILE 75 N 1.78 4.88 0.34 1.82 1.01 -0.43 -4.93 121.20 125.66 1x5g s ILE 75 Ca 0.05 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1x5g s ILE 75 Cb -0.13 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1x5g s ILE 75 CO -0.07 -0.52 0.50 0.54 0.00 0.00 0.00 174.94 175.38 1x5g s ASN 76 N 2.34 6.04 0.00 3.58 2.20 -1.26 -1.28 114.94 126.56 1x5g s ASN 76 Ca 0.04 0.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.98 1x5g s ASN 76 Cb -0.23 -1.49 0.00 0.00 -2.00 0.00 0.00 41.25 37.53 1x5g s ASN 76 CO 0.05 -0.41 0.00 0.61 -2.94 0.00 0.00 177.10 174.41 1x5g n GLY 77 N -1.70 0.49 3.55 0.45 0.00 0.22 -4.95 105.19 103.25 1x5g n GLY 77 Ca -0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1x5g n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5g s LEU 78 N -1.25 2.65 0.65 0.99 1.43 0.44 -5.02 118.68 118.57 1x5g s LEU 78 Ca 0.00 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.65 1x5g s LEU 78 Cb 0.00 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 1x5g s LEU 78 CO 0.00 -0.44 1.05 -0.54 0.23 0.00 0.00 176.35 176.65 1x5g s LYS 79 N -3.74 3.17 0.12 1.70 -0.14 -1.26 -4.54 119.74 115.05 1x5g s LYS 79 Ca 0.34 0.98 -0.23 0.00 -1.36 0.00 0.00 55.97 55.71 1x5g s LYS 79 Cb 0.08 -2.02 -0.07 0.00 -1.68 0.00 0.00 37.83 34.14 1x5g s LYS 79 CO 0.17 -0.92 0.69 0.15 -0.76 0.00 0.00 175.35 174.68 1x5g s LYS 80 N -4.78 4.41 -1.29 1.68 1.02 -1.25 -4.12 119.74 115.42 1x5g s LYS 80 Ca 0.59 0.97 -0.02 0.00 0.02 0.00 0.00 55.97 57.53 1x5g s LYS 80 Cb -0.14 -3.26 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1x5g s LYS 80 CO 0.49 0.59 0.69 0.98 -0.92 0.00 0.00 175.35 177.18 1x5g n TYR 81 N 1.71 -1.91 -4.19 3.18 9.36 -1.22 -4.99 117.16 119.09 1x5g n TYR 81 Ca -0.08 0.80 -0.16 0.00 3.32 0.00 0.00 57.90 61.78 1x5g n TYR 81 Cb 0.50 -4.24 -0.14 0.00 -0.63 0.00 0.00 39.34 34.82 1x5g n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1x5g s THR 82 N -3.66 0.51 0.44 2.97 2.01 -1.26 -4.89 115.64 111.76 1x5g s THR 82 Ca 0.07 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.49 1x5g s THR 82 Cb -0.02 -0.46 -0.10 0.00 0.01 0.00 0.00 72.50 71.94 1x5g s THR 82 CO 0.82 0.06 0.92 -0.70 -0.69 0.00 0.00 174.62 175.03 1x5g s GLU 83 N -0.37 4.09 -0.10 4.92 2.12 -1.26 -2.22 118.70 125.89 1x5g s GLU 83 Ca 0.01 0.97 -0.05 0.00 0.36 0.00 0.00 54.97 56.26 1x5g s GLU 83 Cb -0.04 -2.22 0.05 0.00 0.26 0.00 0.00 34.13 32.18 1x5g s GLU 83 CO -0.00 -0.07 0.23 0.71 -0.54 0.00 0.00 175.26 175.58 1x5g s TYR 84 N -2.29 -0.30 0.22 5.30 1.51 -0.16 -2.68 117.35 118.95 1x5g s TYR 84 Ca 0.59 0.73 -0.24 0.00 -1.01 0.00 0.00 57.07 57.15 1x5g s TYR 84 Cb -0.09 0.01 -0.08 0.00 -0.11 0.00 0.00 41.96 41.68 1x5g s TYR 84 CO 0.20 -0.23 0.80 0.45 -1.11 0.00 0.00 175.55 175.66 1x5g s SER 85 N 1.32 7.28 -0.01 2.29 0.15 -0.07 -1.17 113.70 123.50 1x5g s SER 85 Ca -0.09 1.62 0.01 0.00 0.70 0.00 0.00 55.95 58.20 1x5g s SER 85 Cb -0.11 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1x5g s SER 85 CO -0.08 0.09 -0.02 -0.36 1.20 0.00 0.00 173.24 174.07 1x5g s PHE 86 N -1.37 0.27 -0.15 3.44 0.08 -1.17 -2.24 117.98 116.83 1x5g s PHE 86 Ca 0.41 -0.04 -0.10 0.00 0.12 0.00 0.00 56.93 57.33 1x5g s PHE 86 Cb -0.20 -0.21 0.05 0.00 -0.57 0.00 0.00 43.02 42.09 1x5g s PHE 86 CO 0.24 -0.03 0.37 -0.98 -0.10 0.00 0.00 175.22 174.72 1x5g s ARG 87 N 0.13 0.37 -0.13 0.44 1.70 -1.23 -0.94 118.95 119.30 1x5g s ARG 87 Ca -0.01 0.65 -0.06 0.00 -0.47 0.00 0.00 55.73 55.84 1x5g s ARG 87 Cb -0.03 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 1x5g s ARG 87 CO -0.00 -0.12 0.08 0.08 -1.08 0.00 0.00 175.30 174.26 1x5g s VAL 88 N 0.96 5.02 -0.07 4.99 1.01 -1.26 -1.74 120.40 129.31 1x5g s VAL 88 Ca -0.06 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1x5g s VAL 88 Cb -0.07 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1x5g s VAL 88 CO -0.07 0.58 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1x5g s VAL 89 N -0.64 1.59 -0.26 2.92 1.01 -0.17 -3.17 120.40 121.68 1x5g s VAL 89 Ca 0.12 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1x5g s VAL 89 Cb -0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1x5g s VAL 89 CO 0.02 0.45 0.66 0.00 0.00 0.00 0.00 175.10 176.24 1x5g s ALA 90 N 0.32 3.61 -0.28 5.51 0.00 -1.26 -1.97 121.76 127.70 1x5g s ALA 90 Ca -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1x5g s ALA 90 Cb -0.15 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1x5g s ALA 90 CO 0.05 -0.85 0.00 0.71 0.00 0.00 0.00 175.76 175.67 1x5g s TYR 91 N 2.57 3.13 0.36 0.00 2.02 -1.23 -3.41 117.35 120.79 1x5g s TYR 91 Ca 0.28 -1.38 0.05 0.00 -0.37 0.00 0.00 57.07 55.65 1x5g s TYR 91 Cb -0.15 -2.14 -0.07 0.00 -0.40 0.00 0.00 41.96 39.19 1x5g s TYR 91 CO 0.09 -0.68 0.04 0.54 -1.57 0.00 0.00 175.55 173.96 1x5g s ASN 92 N 1.38 3.00 0.27 2.29 4.22 -1.25 -2.44 114.94 122.41 1x5g s ASN 92 Ca 0.00 -1.38 -0.06 0.00 -2.14 0.00 0.00 52.86 49.29 1x5g s ASN 92 Cb -0.17 -0.20 0.50 0.00 1.28 0.00 0.00 41.25 42.66 1x5g s ASN 92 CO -0.01 -0.55 1.60 0.07 -2.04 0.00 0.00 177.10 176.17 1x5g h LYS 93 N 1.97 0.04 0.45 3.55 2.10 -1.93 -0.45 116.57 122.30 1x5g h LYS 93 Ca -0.42 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1x5g h LYS 93 Cb 1.24 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1x5g h LYS 93 CO 0.74 0.02 -0.41 0.45 -2.00 0.00 0.00 179.45 178.26 1x5g h HIS 94 N 0.04 -1.11 0.00 0.07 3.86 -1.96 -3.49 115.15 112.56 1x5g h HIS 94 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1x5g h HIS 94 Cb 0.83 0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1x5g h HIS 94 CO -0.55 -0.57 0.00 0.41 0.86 0.00 0.00 177.93 178.08 1x5g n GLY 95 N -1.51 1.36 3.59 2.45 0.00 -0.18 -5.09 105.19 105.82 1x5g n GLY 95 Ca -0.11 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1x5g n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 96 N -1.95 3.24 0.00 1.61 0.04 -1.26 -3.86 135.00 132.82 1x5g s PRO 96 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1x5g s PRO 96 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1x5g s PRO 96 CO 0.00 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1x5g n GLY 97 N 5.41 -1.77 3.98 0.56 0.00 -1.22 -4.97 105.19 107.17 1x5g n GLY 97 Ca 0.21 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1x5g n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x5g s VAL 98 N 0.00 1.83 -0.08 1.61 -7.23 -1.24 -5.00 120.40 110.29 1x5g s VAL 98 Ca 0.00 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1x5g s VAL 98 Cb 0.00 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.90 1x5g s VAL 98 CO 0.00 0.00 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.10 1x5g s SER 99 N -4.52 2.07 0.87 4.85 0.15 -1.26 -4.38 113.70 111.48 1x5g s SER 99 Ca 0.49 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.66 1x5g s SER 99 Cb -0.04 -0.95 0.06 0.00 -1.71 0.00 0.00 66.02 63.38 1x5g s SER 99 CO 0.31 0.05 0.78 0.35 1.20 0.00 0.00 173.24 175.93 1x5g n THR 100 N 3.83 0.86 -2.21 6.45 -2.24 -1.19 -4.91 114.28 114.87 1x5g n THR 100 Ca -0.22 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1x5g n THR 100 Cb 0.52 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 1x5g n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x5g s PRO 101 N -3.80 4.35 -0.00 -0.78 0.04 -1.26 -4.76 135.00 128.79 1x5g s PRO 101 Ca 0.65 2.04 -0.35 0.00 0.04 0.00 0.00 61.00 63.38 1x5g s PRO 101 Cb -0.26 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.86 1x5g s PRO 101 CO 0.60 -0.38 0.92 -0.25 0.04 0.00 0.00 177.00 177.93 1x5g n ASP 102 N 3.65 -0.01 -3.64 6.66 8.00 -1.26 -4.86 116.55 125.09 1x5g n ASP 102 Ca 0.10 1.00 -0.29 0.00 0.71 0.00 0.00 54.79 56.31 1x5g n ASP 102 Cb 0.43 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x5g n VAL 103 N 1.30 2.35 -1.99 2.53 0.31 -0.11 -4.89 118.33 117.82 1x5g n VAL 103 Ca 0.17 -5.15 -0.41 0.00 -0.01 0.00 0.00 64.34 58.94 1x5g n VAL 103 Cb 0.07 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 30.84 1x5g n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g s ALA 104 N -2.14 3.52 -0.06 3.52 0.00 -1.26 -3.07 121.76 122.28 1x5g s ALA 104 Ca 0.34 1.38 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 1x5g s ALA 104 Cb 0.07 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1x5g s ALA 104 CO -0.06 -0.81 0.16 0.54 0.00 0.00 0.00 175.76 175.60 1x5g s VAL 105 N -1.14 -0.00 -0.06 0.00 0.11 -0.32 -4.90 120.40 114.10 1x5g s VAL 105 Ca 0.51 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.39 1x5g s VAL 105 Cb -0.42 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1x5g s VAL 105 CO 0.57 0.01 0.49 -0.60 -3.33 0.00 0.00 175.10 172.24 1x5g s ARG 106 N 0.18 4.24 0.72 1.54 3.52 -1.26 -0.99 118.95 126.90 1x5g s ARG 106 Ca -0.01 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 56.00 1x5g s ARG 106 Cb -0.02 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1x5g s ARG 106 CO -0.00 0.34 1.10 0.95 -0.81 0.00 0.00 175.30 176.88 1x5g s THR 107 N 0.00 3.39 0.34 4.11 -4.23 -0.94 -4.59 115.64 113.71 1x5g s THR 107 Ca 0.27 0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 60.95 1x5g s THR 107 Cb -0.16 -3.42 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 1x5g s THR 107 CO 0.13 -0.59 1.22 -0.76 -0.54 0.00 0.00 174.62 174.09 1x5g s LEU 108 N -5.41 4.39 -0.19 4.79 1.43 -1.26 -4.05 118.68 118.39 1x5g s LEU 108 Ca 0.59 2.51 -0.16 0.00 -1.03 0.00 0.00 54.13 56.04 1x5g s LEU 108 Cb -0.11 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1x5g s LEU 108 CO 0.52 -0.49 0.39 -0.55 0.23 0.00 0.00 176.35 176.45 1x5g s SER 109 N -0.74 6.46 -1.00 2.29 0.15 -1.26 -3.37 113.70 116.23 1x5g s SER 109 Ca 0.50 0.54 -0.24 0.00 0.70 0.00 0.00 55.95 57.46 1x5g s SER 109 Cb -0.36 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1x5g s SER 109 CO 0.47 -0.04 1.94 -0.62 1.20 0.00 0.00 173.24 176.19 1x5g s ASP 110 N 0.90 5.10 -0.87 5.45 2.15 -1.26 -4.83 116.67 123.30 1x5g s ASP 110 Ca 0.19 -1.01 0.01 0.00 0.43 0.00 0.00 52.55 52.17 1x5g s ASP 110 Cb -0.14 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.19 1x5g s ASP 110 CO 0.07 -2.86 1.14 -0.24 -0.17 0.00 0.00 175.17 173.11 1x5g n SER 111 N 14.13 5.20 0.00 -0.34 2.88 -1.26 -4.81 113.62 129.42 1x5g n SER 111 Ca 0.42 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1x5g n SER 111 Cb 0.47 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5g n GLY 112 N 1.09 -1.38 0.00 0.46 0.00 -1.26 -5.01 105.19 99.10 1x5g n GLY 112 Ca 0.28 0.79 0.06 0.00 0.00 0.00 0.00 46.02 47.15 1x5g n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5g n PRO 113 N 0.00 0.49 -2.80 1.61 -0.04 -1.26 -4.82 135.00 128.17 1x5g n PRO 113 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1x5g n PRO 113 Cb 0.00 -1.37 0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1x5g n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5g n SER 114 N -0.87 -3.02 -3.89 3.54 2.88 -1.26 -5.05 113.62 105.95 1x5g n SER 114 Ca 0.09 -0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.29 1x5g n SER 114 Cb 0.04 -2.45 -0.08 0.00 -0.75 0.00 0.00 64.21 60.97 1x5g n SER 114 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5g s SER 115 N -3.34 0.15 0.00 -3.46 0.15 -1.26 -5.34 113.70 100.60 1x5g s SER 115 Ca 0.14 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1x5g s SER 115 Cb -0.06 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x5g s SER 115 CO 0.31 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.71