#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 0.31 0.23 1.61 0.01 -1.26 -5.18 113.70 109.42 1x5g s SER 2 Ca 0.00 -1.18 0.09 0.00 1.31 0.00 0.00 55.95 56.17 1x5g s SER 2 Cb 0.00 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 1x5g s SER 2 CO 0.00 -1.35 -0.01 -0.94 0.41 0.00 0.00 173.24 171.35 1x5g s SER 3 N -3.11 4.58 -0.44 2.44 1.04 -1.26 -5.10 113.70 111.85 1x5g s SER 3 Ca 0.23 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1x5g s SER 3 Cb -0.02 -0.88 0.12 0.00 0.10 0.00 0.00 66.02 65.34 1x5g s SER 3 CO 0.14 0.03 0.19 -0.83 0.98 0.00 0.00 173.24 173.76 1x5g s GLY 4 N -3.40 2.02 -0.74 7.32 0.00 -1.26 -5.06 107.32 106.20 1x5g s GLY 4 Ca 0.30 -2.80 -0.31 0.00 0.00 0.00 0.00 44.72 41.90 1x5g s GLY 4 CO 0.19 1.18 2.52 -1.14 0.00 0.00 0.00 173.10 175.85 1x5g n SER 5 N 3.62 1.10 0.35 1.64 3.41 -1.26 -4.80 113.62 117.67 1x5g n SER 5 Ca 0.05 0.06 -0.18 0.00 -0.26 0.00 0.00 58.87 58.55 1x5g n SER 5 Cb 0.36 -1.14 -0.09 0.00 -0.26 0.00 0.00 64.21 63.08 1x5g n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x5g h SER 6 N 13.86 -0.77 0.00 4.04 0.02 -2.07 -3.48 113.55 125.16 1x5g h SER 6 Ca -0.13 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1x5g h SER 6 Cb 1.31 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1x5g h SER 6 CO 1.26 -0.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 1x5g n GLY 7 N -1.47 3.64 3.55 -3.77 0.00 -1.26 -5.07 105.19 100.81 1x5g n GLY 7 Ca -0.13 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1x5g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5g s ARG 8 N -0.96 3.41 -0.11 1.61 0.52 -1.26 -4.98 118.95 117.17 1x5g s ARG 8 Ca 0.00 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 1x5g s ARG 8 Cb 0.00 -4.82 -0.02 0.00 0.52 0.00 0.00 34.95 30.64 1x5g s ARG 8 CO 0.00 -2.17 0.92 0.14 0.02 0.00 0.00 175.30 174.21 1x5g s VAL 9 N 5.25 4.85 -0.89 3.52 -7.23 -1.26 -5.00 120.40 119.64 1x5g s VAL 9 Ca 0.41 1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 62.27 1x5g s VAL 9 Cb -0.04 -4.23 0.18 0.00 0.56 0.00 0.00 36.38 32.85 1x5g s VAL 9 CO 0.01 0.05 0.96 -1.61 -0.31 0.00 0.00 175.10 174.20 1x5g s GLU 10 N 1.86 3.62 0.01 4.82 0.41 -1.26 -4.99 118.70 123.17 1x5g s GLU 10 Ca 0.44 -2.13 -0.01 0.00 -0.41 0.00 0.00 54.97 52.87 1x5g s GLU 10 Cb -0.18 -4.69 -0.01 0.00 -1.78 0.00 0.00 34.13 27.47 1x5g s GLU 10 CO 0.17 -1.54 -0.00 -0.08 -0.49 0.00 0.00 175.26 173.32 1x5g s THR 11 N 1.42 0.07 0.20 3.63 -1.32 -1.26 -5.17 115.64 113.22 1x5g s THR 11 Ca 0.26 -0.59 0.09 0.00 -1.21 0.00 0.00 61.69 60.24 1x5g s THR 11 Cb -0.07 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.68 1x5g s THR 11 CO -0.09 -0.32 -0.09 -1.10 -2.21 0.00 0.00 174.62 170.80 1x5g s GLN 12 N -0.96 2.05 0.93 7.08 1.11 -1.26 -5.13 119.66 123.48 1x5g s GLN 12 Ca -0.10 -1.33 -0.12 0.00 0.01 0.00 0.00 55.36 53.82 1x5g s GLN 12 Cb -0.06 -2.13 0.15 0.00 -1.01 0.00 0.00 33.01 29.96 1x5g s GLN 12 CO -0.00 0.42 1.09 -1.25 0.01 0.00 0.00 175.29 175.55 1x5g s PRO 13 N -2.99 1.00 1.11 2.91 0.04 -1.26 -5.03 135.00 130.79 1x5g s PRO 13 Ca 0.26 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 1x5g s PRO 13 Cb -0.08 -1.79 0.26 0.00 0.04 0.00 0.00 34.50 32.93 1x5g s PRO 13 CO 0.16 -2.39 1.05 -1.21 0.04 0.00 0.00 177.00 174.64 1x5g s GLU 14 N -4.95 -0.52 -0.04 4.56 0.41 -1.26 -4.98 118.70 111.93 1x5g s GLU 14 Ca 0.64 0.67 0.04 0.00 -0.41 0.00 0.00 54.97 55.91 1x5g s GLU 14 Cb -0.18 -1.61 -0.25 0.00 -1.78 0.00 0.00 34.13 30.31 1x5g s GLU 14 CO 0.57 -3.41 0.69 0.28 -0.49 0.00 0.00 175.26 172.90 1x5g h VAL 15 N -2.39 0.93 -0.10 2.63 2.07 -2.01 -3.35 116.25 114.03 1x5g h VAL 15 Ca -0.60 -2.69 -0.07 0.00 0.82 0.00 0.00 66.70 64.16 1x5g h VAL 15 Cb 1.34 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.63 1x5g h VAL 15 CO 0.54 0.69 0.08 0.00 0.02 0.00 0.00 177.57 178.90 1x5g n GLN 16 N -3.26 1.17 -4.41 1.57 -0.00 -1.26 -4.85 117.38 106.34 1x5g n GLN 16 Ca -0.19 -0.32 -0.24 0.00 -0.00 0.00 0.00 57.00 56.24 1x5g n GLN 16 Cb 1.04 -1.13 -0.09 0.00 -0.00 0.00 0.00 30.24 30.06 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x5g s LEU 17 N -0.36 2.85 0.88 2.61 1.02 -1.26 -4.74 118.68 119.67 1x5g s LEU 17 Ca 0.07 -0.99 -0.11 0.00 0.02 0.00 0.00 54.13 53.11 1x5g s LEU 17 Cb 0.05 -1.26 0.12 0.00 0.02 0.00 0.00 46.19 45.12 1x5g s LEU 17 CO -0.00 -0.12 1.09 -2.16 0.02 0.00 0.00 176.35 175.18 1x5g s PRO 18 N -3.63 1.43 0.54 1.29 0.04 -1.26 -4.66 135.00 128.75 1x5g s PRO 18 Ca 0.32 0.88 0.09 0.00 0.04 0.00 0.00 61.00 62.34 1x5g s PRO 18 Cb -0.02 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.77 1x5g s PRO 18 CO 0.18 -2.14 0.74 0.20 0.04 0.00 0.00 177.00 176.02 1x5g s GLY 19 N -3.42 1.78 -0.06 0.56 0.00 -1.10 -3.72 107.32 101.36 1x5g s GLY 19 Ca 0.63 -2.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1x5g s GLY 19 CO 0.57 -1.65 1.49 2.56 0.00 0.00 0.00 173.10 176.07 1x5g s PRO 20 N -4.60 4.22 -0.34 2.90 0.04 -1.26 -4.69 135.00 131.27 1x5g s PRO 20 Ca 0.60 2.02 -0.36 0.00 0.04 0.00 0.00 61.00 63.29 1x5g s PRO 20 Cb -0.07 -3.79 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 1x5g s PRO 20 CO 0.38 -0.73 2.13 0.00 0.04 0.00 0.00 177.00 178.82 1x5g n ALA 21 N 6.41 0.88 -1.08 8.56 0.00 -1.26 -4.62 120.51 129.41 1x5g n ALA 21 Ca 0.15 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1x5g n ALA 21 Cb 0.43 -2.48 0.24 0.00 0.00 0.00 0.00 19.45 17.65 1x5g n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5g s PRO 22 N 5.85 -1.32 -1.70 0.00 0.04 -1.18 -4.01 135.00 132.69 1x5g s PRO 22 Ca 1.09 -0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 1x5g s PRO 22 Cb -0.92 -1.59 0.15 0.00 0.04 0.00 0.00 34.50 32.18 1x5g s PRO 22 CO 0.52 -3.77 0.80 0.09 0.04 0.00 0.00 177.00 174.68 1x5g n ASN 23 N -4.79 -3.36 -4.57 6.66 5.03 -1.26 -0.81 115.26 112.16 1x5g n ASN 23 Ca 0.14 -1.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.17 1x5g n ASN 23 Cb 0.60 -2.81 -0.03 0.00 -1.02 0.00 0.00 39.78 36.52 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 -7.27 3.38 0.26 3.41 2.96 -1.26 -4.01 118.68 116.16 1x5g s LEU 24 Ca 0.73 0.31 0.11 0.00 -0.22 0.00 0.00 54.13 55.05 1x5g s LEU 24 Cb -0.40 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1x5g s LEU 24 CO 0.92 -1.78 -0.10 -0.13 -1.32 0.00 0.00 176.35 173.94 1x5g s ARG 25 N 5.68 1.98 -0.23 1.98 1.81 0.81 -5.01 118.95 125.97 1x5g s ARG 25 Ca 0.54 -1.55 -0.11 0.00 -1.72 0.00 0.00 55.73 52.89 1x5g s ARG 25 Cb -0.11 -1.98 0.08 0.00 -0.45 0.00 0.00 34.95 32.48 1x5g s ARG 25 CO 0.24 0.36 0.53 0.00 -0.68 0.00 0.00 175.30 175.75 1x5g s ALA 26 N -2.32 -1.45 -0.05 2.13 0.00 -1.26 -1.83 121.76 116.98 1x5g s ALA 26 Ca 0.30 1.91 -0.04 0.00 0.00 0.00 0.00 51.96 54.12 1x5g s ALA 26 Cb -0.06 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1x5g s ALA 26 CO 0.17 -0.48 0.13 1.52 0.00 0.00 0.00 175.76 177.10 1x5g s TYR 27 N 1.90 -0.14 -0.59 0.00 -0.85 0.08 -5.02 117.35 112.73 1x5g s TYR 27 Ca -0.08 0.36 -0.28 0.00 -0.52 0.00 0.00 57.07 56.55 1x5g s TYR 27 Cb -0.09 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.31 1x5g s TYR 27 CO -0.16 -0.08 1.23 0.00 -1.52 0.00 0.00 175.55 175.02 1x5g s ALA 28 N 0.23 2.95 0.19 9.51 0.00 -1.26 -0.34 121.76 133.04 1x5g s ALA 28 Ca -0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1x5g s ALA 28 Cb -0.02 -4.06 0.11 0.00 0.00 0.00 0.00 23.12 19.14 1x5g s ALA 28 CO -0.01 -2.74 1.61 0.00 0.00 0.00 0.00 175.76 174.62 1x5g h ALA 29 N 9.77 0.81 -2.39 0.00 0.00 -1.88 -3.45 119.26 122.11 1x5g h ALA 29 Ca -0.25 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 1x5g h ALA 29 Cb 1.06 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 1x5g h ALA 29 CO 1.19 0.65 -0.62 -1.12 0.00 0.00 0.00 179.25 179.36 1x5g s SER 30 N -6.70 0.33 0.00 0.00 0.01 -1.13 -5.01 113.70 101.20 1x5g s SER 30 Ca -0.10 -1.09 0.13 0.00 1.31 0.00 0.00 55.95 56.19 1x5g s SER 30 Cb 0.13 0.28 0.75 0.00 0.21 0.00 0.00 66.02 67.39 1x5g s SER 30 CO 0.85 -0.70 1.18 -0.81 0.41 0.00 0.00 173.24 174.17 1x5g n PRO 31 N -0.04 0.49 0.00 12.44 -0.04 -1.26 -2.46 135.00 144.12 1x5g n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1x5g n PRO 31 Cb 0.63 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.90 0.00 -4.42 0.52 -2.24 -1.26 -3.86 114.28 102.11 1x5g n THR 32 Ca 0.09 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1x5g n THR 32 Cb 0.04 0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.16 2.32 -0.05 3.42 1.04 -1.03 -0.90 113.70 117.34 1x5g s SER 33 Ca 0.00 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.08 1x5g s SER 33 Cb 0.00 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1x5g s SER 33 CO 0.00 -0.54 0.12 -0.63 0.98 0.00 0.00 173.24 173.17 1x5g s ILE 34 N -3.28 -0.01 -0.13 -1.02 1.01 0.79 -2.82 121.20 115.75 1x5g s ILE 34 Ca 0.34 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 1x5g s ILE 34 Cb 0.07 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 1x5g s ILE 34 CO 0.14 0.02 0.07 -0.89 0.00 0.00 0.00 174.94 174.28 1x5g s THR 35 N 0.35 4.90 -0.06 2.92 2.01 0.54 -1.71 115.64 124.60 1x5g s THR 35 Ca -0.02 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1x5g s THR 35 Cb -0.04 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1x5g s THR 35 CO -0.01 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 1x5g s VAL 36 N -0.59 0.59 -0.07 3.82 1.01 -1.11 -0.74 120.40 123.31 1x5g s VAL 36 Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1x5g s VAL 36 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1x5g s VAL 36 CO 0.02 0.25 -0.18 0.42 0.00 0.00 0.00 175.10 175.61 1x5g s THR 37 N 1.14 1.56 0.22 3.92 -4.23 -0.76 -2.53 115.64 114.97 1x5g s THR 37 Ca -0.07 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1x5g s THR 37 Cb -0.14 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 1x5g s THR 37 CO -0.01 0.45 0.06 -1.66 -0.54 0.00 0.00 174.62 172.91 1x5g s TRP 38 N 0.36 1.41 0.35 3.99 -2.14 -1.22 -0.14 118.94 121.56 1x5g s TRP 38 Ca -0.13 -1.11 0.09 0.00 2.66 0.00 0.00 56.10 57.61 1x5g s TRP 38 Cb -0.15 -0.82 -0.06 0.00 -3.10 0.00 0.00 33.47 29.34 1x5g s TRP 38 CO 0.05 -0.28 -0.06 -1.21 -2.66 0.00 0.00 176.95 172.79 1x5g s GLU 39 N -3.98 1.90 0.00 3.25 0.41 0.01 -4.79 118.70 115.50 1x5g s GLU 39 Ca 0.32 -1.90 -0.24 0.00 -0.41 0.00 0.00 54.97 52.74 1x5g s GLU 39 Cb 0.07 -1.76 -0.05 0.00 -1.78 0.00 0.00 34.13 30.61 1x5g s GLU 39 CO 0.10 0.13 0.73 0.99 -0.49 0.00 0.00 175.26 176.71 1x5g s THR 40 N -2.59 4.86 -0.27 3.63 2.01 -1.26 -3.09 115.64 118.93 1x5g s THR 40 Ca 0.33 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.58 1x5g s THR 40 Cb 0.02 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1x5g s THR 40 CO 0.17 0.33 1.65 -2.16 -0.69 0.00 0.00 174.62 173.92 1x5g s PRO 41 N 0.23 3.64 0.58 4.92 0.04 -1.26 -4.64 135.00 138.50 1x5g s PRO 41 Ca 0.38 1.52 0.28 0.00 0.04 0.00 0.00 61.00 63.21 1x5g s PRO 41 Cb -0.19 -4.08 1.59 0.00 0.04 0.00 0.00 34.50 31.86 1x5g s PRO 41 CO 0.21 -1.48 2.08 -0.39 0.04 0.00 0.00 177.00 177.45 1x5g h VAL 42 N 6.37 0.53 -2.42 -0.36 -1.51 -1.95 -3.35 116.25 113.56 1x5g h VAL 42 Ca -0.33 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.50 1x5g h VAL 42 Cb 1.15 0.82 -0.15 0.00 -2.13 0.00 0.00 31.29 30.98 1x5g h VAL 42 CO 1.02 0.00 0.75 -0.55 -1.23 0.00 0.00 177.57 177.56 1x5g s SER 43 N -5.87 6.36 0.34 4.19 0.15 -1.26 -4.96 113.70 112.65 1x5g s SER 43 Ca -0.05 -1.38 -0.09 0.00 0.70 0.00 0.00 55.95 55.13 1x5g s SER 43 Cb 0.16 -2.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.06 1x5g s SER 43 CO 0.58 -1.33 0.58 -0.83 1.20 0.00 0.00 173.24 173.44 1x5g s GLY 44 N 3.79 0.91 -0.02 9.45 0.00 -1.26 -2.70 107.32 117.48 1x5g s GLY 44 Ca 0.28 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 1x5g s GLY 44 CO 0.02 -0.68 -0.11 0.70 0.00 0.00 0.00 173.10 173.02 1x5g n ASN 45 N -1.19 1.15 -4.95 1.64 3.02 -1.26 -5.05 115.26 108.63 1x5g n ASN 45 Ca -0.03 0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1x5g n ASN 45 Cb 0.61 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1x5g n ASN 45 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x5g s GLY 46 N -4.57 2.13 -0.21 7.41 0.00 -1.26 -5.08 107.32 105.73 1x5g s GLY 46 Ca -0.10 -1.62 -0.25 0.00 0.00 0.00 0.00 44.72 42.75 1x5g s GLY 46 CO 0.15 -1.83 0.83 1.85 0.00 0.00 0.00 173.10 174.09 1x5g s GLU 47 N -4.40 4.23 0.50 2.90 2.12 -1.26 -5.01 118.70 117.78 1x5g s GLU 47 Ca 0.45 0.96 -0.20 0.00 0.36 0.00 0.00 54.97 56.54 1x5g s GLU 47 Cb -0.04 -3.62 -0.11 0.00 0.26 0.00 0.00 34.13 30.63 1x5g s GLU 47 CO 0.28 -0.44 0.53 -0.89 -0.54 0.00 0.00 175.26 174.21 1x5g n ILE 48 N 5.04 1.97 -0.05 -3.70 2.08 -1.26 -4.60 119.36 118.84 1x5g n ILE 48 Ca 0.05 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.75 1x5g n ILE 48 Cb 0.48 -0.63 -0.04 0.00 -0.75 0.00 0.00 39.64 38.70 1x5g n ILE 48 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x5g n GLN 49 N 0.28 0.29 -3.90 0.38 6.02 -0.81 -4.99 117.38 114.66 1x5g n GLN 49 Ca 0.11 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.12 1x5g n GLN 49 Cb 0.44 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.60 1x5g n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x5g s ASN 50 N -6.16 0.09 -0.26 1.08 4.22 -1.00 -5.07 114.94 107.84 1x5g s ASN 50 Ca -0.18 -0.32 -0.05 0.00 -2.14 0.00 0.00 52.86 50.17 1x5g s ASN 50 Cb 0.06 0.19 0.01 0.00 1.28 0.00 0.00 41.25 42.79 1x5g s ASN 50 CO 0.24 -0.39 0.01 -0.31 -2.04 0.00 0.00 177.10 174.61 1x5g s TYR 51 N -1.67 3.07 -0.28 1.54 2.02 -1.23 -2.83 117.35 117.96 1x5g s TYR 51 Ca -0.13 -1.07 -0.19 0.00 -0.37 0.00 0.00 57.07 55.30 1x5g s TYR 51 Cb -0.07 -2.16 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1x5g s TYR 51 CO -0.00 -0.59 0.59 0.21 -1.57 0.00 0.00 175.55 174.19 1x5g s LYS 52 N 1.46 3.98 -0.28 -0.62 2.20 -1.11 -3.15 119.74 122.21 1x5g s LYS 52 Ca 0.03 0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1x5g s LYS 52 Cb -0.16 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1x5g s LYS 52 CO -0.01 -0.48 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.32 1x5g s LEU 53 N 2.49 3.65 0.28 5.43 2.96 -1.24 -1.74 118.68 130.51 1x5g s LEU 53 Ca 0.24 -1.10 -0.15 0.00 -0.22 0.00 0.00 54.13 52.89 1x5g s LEU 53 Cb -0.15 -1.71 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 1x5g s LEU 53 CO 0.10 -0.21 0.70 -0.31 -1.32 0.00 0.00 176.35 175.31 1x5g s TYR 54 N 1.29 3.45 -0.16 5.38 1.51 -0.99 -3.21 117.35 124.63 1x5g s TYR 54 Ca -0.03 1.21 -0.07 0.00 -1.01 0.00 0.00 57.07 57.17 1x5g s TYR 54 Cb -0.19 -2.51 0.07 0.00 -0.11 0.00 0.00 41.96 39.22 1x5g s TYR 54 CO -0.02 0.19 0.36 1.52 -1.11 0.00 0.00 175.55 176.48 1x5g s TYR 55 N -1.83 -0.57 0.16 2.71 1.13 -1.25 -3.33 117.35 114.37 1x5g s TYR 55 Ca 0.50 1.20 -0.16 0.00 -1.41 0.00 0.00 57.07 57.20 1x5g s TYR 55 Cb -0.12 0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1x5g s TYR 55 CO 0.19 -0.36 0.45 0.00 -2.51 0.00 0.00 175.55 173.32 1x5g s MET 56 N 1.85 1.22 0.01 -3.49 0.23 -1.12 -3.52 119.30 114.47 1x5g s MET 56 Ca -0.06 -0.80 -0.24 0.00 -1.03 0.00 0.00 55.69 53.57 1x5g s MET 56 Cb -0.10 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.64 1x5g s MET 56 CO -0.11 -0.50 0.71 -2.00 -2.03 0.00 0.00 175.02 171.09 1x5g s GLU 57 N -3.84 4.44 -0.60 3.16 2.12 -1.26 0.60 118.70 123.31 1x5g s GLU 57 Ca 0.07 0.94 -0.27 0.00 0.36 0.00 0.00 54.97 56.07 1x5g s GLU 57 Cb 0.01 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 30.92 1x5g s GLU 57 CO -0.07 0.25 2.47 1.17 -0.54 0.00 0.00 175.26 178.54 1x5g n LYS 58 N 3.02 0.82 0.00 4.30 3.00 -0.99 -2.30 118.16 126.02 1x5g n LYS 58 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1x5g n LYS 58 Cb 0.51 -3.07 0.00 0.00 0.00 0.00 0.00 35.03 32.47 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 6.12 0.95 0.00 3.14 0.00 -1.26 -4.95 105.19 109.19 1x5g n GLY 59 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1x5g n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5g n THR 60 N 0.00 0.00 -2.04 2.61 -1.04 -0.97 -5.04 114.28 107.80 1x5g n THR 60 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1x5g n THR 60 Cb 0.00 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.20 1x5g n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5g n ASP 61 N -2.02 -3.96 -3.14 8.00 2.03 -1.26 -4.95 116.55 111.25 1x5g n ASP 61 Ca 0.00 0.05 -0.22 0.00 0.52 0.00 0.00 54.79 55.14 1x5g n ASP 61 Cb 0.28 -3.04 -0.04 0.00 -0.72 0.00 0.00 41.12 37.60 1x5g n ASP 61 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1x5g n LYS 62 N -2.26 1.66 -1.71 -0.67 4.76 -1.26 -5.11 118.16 113.57 1x5g n LYS 62 Ca -0.14 -3.85 -0.41 0.00 -2.87 0.00 0.00 58.31 51.04 1x5g n LYS 62 Cb 0.56 -1.82 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 1x5g n LYS 62 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1x5g n GLU 63 N 0.36 2.01 -3.67 1.97 4.07 -1.26 -4.87 120.64 119.25 1x5g n GLU 63 Ca 0.26 0.71 -0.23 0.00 -0.06 0.00 0.00 57.16 57.85 1x5g n GLU 63 Cb 0.55 -2.42 -0.02 0.00 -0.06 0.00 0.00 31.44 29.49 1x5g n GLU 63 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1x5g n GLN 64 N 0.06 0.92 -3.74 5.31 6.02 -1.23 -4.99 117.38 119.73 1x5g n GLN 64 Ca 0.06 -2.81 -0.12 0.00 -0.01 0.00 0.00 57.00 54.12 1x5g n GLN 64 Cb 0.40 0.50 -0.11 0.00 1.02 0.00 0.00 30.24 32.04 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1x5g s ASP 65 N -3.41 -0.37 -0.08 1.08 -4.77 -1.26 -3.76 116.67 104.11 1x5g s ASP 65 Ca 0.14 0.69 -0.01 0.00 -3.30 0.00 0.00 52.55 50.07 1x5g s ASP 65 Cb -0.01 0.64 0.03 0.00 -1.09 0.00 0.00 42.92 42.48 1x5g s ASP 65 CO 0.09 -0.14 -0.03 0.68 0.70 0.00 0.00 175.17 176.47 1x5g s VAL 66 N 0.70 0.57 -0.36 2.11 -7.23 -1.20 -5.03 120.40 109.97 1x5g s VAL 66 Ca -0.04 -0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.81 1x5g s VAL 66 Cb -0.05 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 1x5g s VAL 66 CO -0.05 0.28 1.76 -0.62 -0.31 0.00 0.00 175.10 176.16 1x5g s ASP 67 N 1.69 5.89 0.03 4.85 2.15 -1.26 -3.63 116.67 126.39 1x5g s ASP 67 Ca 0.02 1.17 0.03 0.00 0.43 0.00 0.00 52.55 54.20 1x5g s ASP 67 Cb -0.13 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1x5g s ASP 67 CO -0.05 -1.73 -0.03 -0.69 -0.17 0.00 0.00 175.17 172.51 1x5g s VAL 68 N 6.90 3.92 -0.20 1.11 1.01 -1.19 -5.03 120.40 126.92 1x5g s VAL 68 Ca 0.77 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1x5g s VAL 68 Cb -0.21 -2.77 -0.17 0.00 0.00 0.00 0.00 36.38 33.23 1x5g s VAL 68 CO 0.32 0.30 -0.09 -1.20 0.00 0.00 0.00 175.10 174.44 1x5g n SER 69 N 1.19 1.65 -4.90 3.32 7.64 -1.26 -3.57 113.62 117.69 1x5g n SER 69 Ca -0.14 -0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.39 1x5g n SER 69 Cb 0.52 0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.88 1x5g n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5g s SER 70 N -5.72 6.43 0.51 6.43 1.04 -1.26 -4.93 113.70 116.20 1x5g s SER 70 Ca -0.21 0.89 0.24 0.00 0.48 0.00 0.00 55.95 57.34 1x5g s SER 70 Cb 0.07 -2.22 1.35 0.00 0.10 0.00 0.00 66.02 65.32 1x5g s SER 70 CO 0.59 -0.34 2.07 0.45 0.98 0.00 0.00 173.24 176.98 1x5g h HIS 71 N 1.22 0.00 -3.83 5.02 -0.00 -1.94 -3.41 115.15 112.20 1x5g h HIS 71 Ca -0.47 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.21 1x5g h HIS 71 Cb 1.19 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 28.29 1x5g h HIS 71 CO 0.58 0.13 -0.88 -1.12 -0.00 0.00 0.00 177.93 176.65 1x5g s SER 72 N -6.41 3.13 0.35 2.45 0.01 -1.26 -3.37 113.70 108.59 1x5g s SER 72 Ca -0.03 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 56.76 1x5g s SER 72 Cb 0.14 -1.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.30 1x5g s SER 72 CO 0.61 0.22 0.05 -0.47 0.41 0.00 0.00 173.24 174.07 1x5g s TYR 73 N -0.04 2.09 -0.19 2.43 5.04 -1.05 -5.01 117.35 120.62 1x5g s TYR 73 Ca -0.07 -0.90 -0.03 0.00 -2.44 0.00 0.00 57.07 53.63 1x5g s TYR 73 Cb -0.15 -1.39 0.06 0.00 0.35 0.00 0.00 41.96 40.83 1x5g s TYR 73 CO 0.05 0.10 0.04 0.99 -1.34 0.00 0.00 175.55 175.39 1x5g s THR 74 N -3.16 0.47 -0.17 4.34 2.01 -1.26 -2.75 115.64 115.11 1x5g s THR 74 Ca 0.36 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.68 1x5g s THR 74 Cb 0.09 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1x5g s THR 74 CO 0.16 -0.20 0.43 -0.63 -0.69 0.00 0.00 174.62 173.69 1x5g s ILE 75 N 1.88 5.19 0.40 1.82 1.01 -0.69 -4.93 121.20 125.89 1x5g s ILE 75 Ca -0.01 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.52 1x5g s ILE 75 Cb -0.17 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1x5g s ILE 75 CO -0.08 0.27 0.01 0.20 0.00 0.00 0.00 174.94 175.34 1x5g s ASN 76 N 0.89 3.90 -0.06 3.58 0.01 -1.26 -0.15 114.94 121.86 1x5g s ASN 76 Ca 0.22 -1.33 -0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1x5g s ASN 76 Cb -0.15 -0.40 -0.00 0.00 0.41 0.00 0.00 41.25 41.11 1x5g s ASN 76 CO 0.08 -0.43 0.05 0.61 -1.51 0.00 0.00 177.10 175.90 1x5g n GLY 77 N -0.97 0.67 3.47 0.66 0.00 -0.88 -4.94 105.19 103.19 1x5g n GLY 77 Ca -0.05 -0.31 -0.22 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 -2.82 2.26 0.56 0.99 1.43 -0.07 -5.04 118.68 115.98 1x5g s LEU 78 Ca 0.02 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.58 1x5g s LEU 78 Cb -0.00 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.72 1x5g s LEU 78 CO 0.04 -0.59 1.02 -0.54 0.23 0.00 0.00 176.35 176.52 1x5g s LYS 79 N -3.87 3.61 0.34 1.70 -0.14 -1.26 -4.63 119.74 115.49 1x5g s LYS 79 Ca 0.36 1.07 -0.19 0.00 -1.36 0.00 0.00 55.97 55.85 1x5g s LYS 79 Cb 0.09 -2.08 -0.10 0.00 -1.68 0.00 0.00 37.83 34.06 1x5g s LYS 79 CO 0.16 -0.56 0.82 0.15 -0.76 0.00 0.00 175.35 175.16 1x5g s LYS 80 N -4.13 4.19 -1.63 1.68 1.02 -1.25 -3.94 119.74 115.69 1x5g s LYS 80 Ca 0.61 0.92 -0.14 0.00 0.02 0.00 0.00 55.97 57.39 1x5g s LYS 80 Cb -0.13 -2.48 0.11 0.00 -0.52 0.00 0.00 37.83 34.81 1x5g s LYS 80 CO 0.35 0.16 0.69 0.98 -0.92 0.00 0.00 175.35 176.61 1x5g n TYR 81 N -0.14 -1.73 -4.35 3.18 9.36 -1.07 -4.95 117.16 117.46 1x5g n TYR 81 Ca 0.03 0.79 -0.23 0.00 3.32 0.00 0.00 57.90 61.81 1x5g n TYR 81 Cb 0.53 -3.17 -0.11 0.00 -0.63 0.00 0.00 39.34 35.95 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 -3.48 1.94 0.16 2.97 2.01 -1.25 -4.87 115.64 113.12 1x5g s THR 82 Ca 0.55 -1.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.57 1x5g s THR 82 Cb -0.30 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 1x5g s THR 82 CO 0.92 -0.25 0.42 -0.70 -0.69 0.00 0.00 174.62 174.32 1x5g s GLU 83 N -2.70 3.67 -0.09 4.92 2.12 -1.26 -0.78 118.70 124.58 1x5g s GLU 83 Ca 0.16 0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.45 1x5g s GLU 83 Cb -0.07 -2.80 0.04 0.00 0.26 0.00 0.00 34.13 31.57 1x5g s GLU 83 CO 0.07 0.43 0.22 0.71 -0.54 0.00 0.00 175.26 176.15 1x5g s TYR 84 N -1.70 -0.27 0.40 5.30 2.02 0.18 -2.34 117.35 120.95 1x5g s TYR 84 Ca 0.43 0.67 -0.15 0.00 -0.37 0.00 0.00 57.07 57.64 1x5g s TYR 84 Cb -0.12 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.38 1x5g s TYR 84 CO 0.24 -0.19 0.83 0.45 -1.57 0.00 0.00 175.55 175.30 1x5g s SER 85 N 1.01 6.71 -0.11 2.29 0.15 0.20 -1.03 113.70 122.92 1x5g s SER 85 Ca -0.07 1.37 -0.07 0.00 0.70 0.00 0.00 55.95 57.87 1x5g s SER 85 Cb -0.09 -2.41 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1x5g s SER 85 CO -0.06 -0.36 0.26 -0.36 1.20 0.00 0.00 173.24 173.93 1x5g s PHE 86 N -2.24 -0.33 -0.17 3.44 0.08 -1.22 -2.81 117.98 114.73 1x5g s PHE 86 Ca 0.56 0.79 -0.08 0.00 0.12 0.00 0.00 56.93 58.31 1x5g s PHE 86 Cb -0.10 0.09 0.07 0.00 -0.57 0.00 0.00 43.02 42.50 1x5g s PHE 86 CO 0.23 -0.20 0.39 -0.98 -0.10 0.00 0.00 175.22 174.56 1x5g s ARG 87 N 0.79 0.34 0.10 0.44 1.70 -1.21 -0.05 118.95 121.06 1x5g s ARG 87 Ca -0.05 0.84 -0.06 0.00 -0.47 0.00 0.00 55.73 55.99 1x5g s ARG 87 Cb -0.07 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 1x5g s ARG 87 CO -0.05 -0.20 0.35 0.08 -1.08 0.00 0.00 175.30 174.40 1x5g s VAL 88 N 1.83 5.20 -0.00 4.99 1.01 -1.26 -2.35 120.40 129.82 1x5g s VAL 88 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1x5g s VAL 88 Cb -0.10 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1x5g s VAL 88 CO -0.12 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.39 1x5g s VAL 89 N -1.54 0.37 -0.08 2.92 1.01 -0.71 -1.99 120.40 120.38 1x5g s VAL 89 Ca 0.37 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 1x5g s VAL 89 Cb -0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1x5g s VAL 89 CO 0.22 0.08 0.69 0.00 0.00 0.00 0.00 175.10 176.09 1x5g s ALA 90 N -0.17 3.36 -0.26 5.51 0.00 -1.26 -2.75 121.76 126.19 1x5g s ALA 90 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1x5g s ALA 90 Cb -0.02 -2.94 0.07 0.00 0.00 0.00 0.00 23.12 20.23 1x5g s ALA 90 CO -0.00 -0.13 0.00 0.71 0.00 0.00 0.00 175.76 176.34 1x5g s TYR 91 N 0.87 2.23 0.35 0.00 2.02 -1.13 -3.22 117.35 118.48 1x5g s TYR 91 Ca 0.36 -1.78 0.04 0.00 -0.37 0.00 0.00 57.07 55.32 1x5g s TYR 91 Cb -0.17 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 1x5g s TYR 91 CO 0.17 -0.79 0.08 0.54 -1.57 0.00 0.00 175.55 173.97 1x5g s ASN 92 N 1.44 2.48 0.33 2.29 4.22 -1.26 -1.91 114.94 122.53 1x5g s ASN 92 Ca -0.00 -1.46 0.10 0.00 -2.14 0.00 0.00 52.86 49.35 1x5g s ASN 92 Cb -0.18 0.10 0.99 0.00 1.28 0.00 0.00 41.25 43.43 1x5g s ASN 92 CO -0.10 -0.70 1.60 0.07 -2.04 0.00 0.00 177.10 175.92 1x5g h LYS 93 N 2.02 0.08 0.21 3.55 2.10 -1.95 -1.47 116.57 121.11 1x5g h LYS 93 Ca -0.39 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.24 1x5g h LYS 93 Cb 1.25 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1x5g h LYS 93 CO 0.66 0.05 -0.12 0.45 -2.00 0.00 0.00 179.45 178.50 1x5g h HIS 94 N 0.08 -0.30 0.00 0.07 3.86 -1.96 -3.49 115.15 113.41 1x5g h HIS 94 Ca 0.69 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.90 1x5g h HIS 94 Cb 1.61 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.18 1x5g h HIS 94 CO -0.23 -0.18 0.00 0.41 0.86 0.00 0.00 177.93 178.79 1x5g n GLY 95 N -1.15 1.29 3.60 2.45 0.00 -0.55 -5.08 105.19 105.75 1x5g n GLY 95 Ca -0.04 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 3.44 0.00 1.61 0.04 -1.26 -4.09 135.00 132.74 1x5g s PRO 96 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1x5g s PRO 96 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1x5g s PRO 96 CO 0.00 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1x5g n GLY 97 N 5.27 -0.41 3.95 0.56 0.00 -1.20 -4.88 105.19 108.48 1x5g n GLY 97 Ca 0.21 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 2.76 -0.19 1.61 -7.23 -1.24 -4.91 120.40 111.20 1x5g s VAL 98 Ca 0.00 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 1x5g s VAL 98 Cb 0.00 -3.11 0.03 0.00 0.56 0.00 0.00 36.38 33.87 1x5g s VAL 98 CO 0.00 -0.10 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.01 1x5g s SER 99 N -4.43 3.29 0.78 4.85 0.15 -1.26 -4.18 113.70 112.90 1x5g s SER 99 Ca 0.57 -0.80 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 1x5g s SER 99 Cb -0.10 -1.32 -0.11 0.00 -1.71 0.00 0.00 66.02 62.77 1x5g s SER 99 CO 0.42 -0.09 -0.23 0.35 1.20 0.00 0.00 173.24 174.89 1x5g n THR 100 N 4.66 0.36 -2.21 6.45 -2.24 -0.84 -4.84 114.28 115.61 1x5g n THR 100 Ca -0.17 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1x5g n THR 100 Cb 0.48 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.94 4.34 0.12 -0.78 0.04 -1.26 -4.62 135.00 130.91 1x5g s PRO 101 Ca 0.52 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 63.26 1x5g s PRO 101 Cb -0.32 -3.25 -0.18 0.00 0.04 0.00 0.00 34.50 30.79 1x5g s PRO 101 CO 0.71 -0.39 0.88 -0.40 0.04 0.00 0.00 177.00 177.84 1x5g n ASP 102 N 3.77 -0.19 -3.66 6.66 5.75 -1.26 -4.79 116.55 122.83 1x5g n ASP 102 Ca 0.10 1.15 -0.28 0.00 -0.01 0.00 0.00 54.79 55.75 1x5g n ASP 102 Cb 0.43 -1.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.42 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1x5g n VAL 103 N 0.90 2.11 -1.92 2.12 0.31 0.93 -4.86 118.33 117.93 1x5g n VAL 103 Ca 0.18 -5.08 -0.42 0.00 -0.01 0.00 0.00 64.34 59.01 1x5g n VAL 103 Cb 0.18 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 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 -2.02 3.74 0.00 3.52 0.00 -1.26 -3.44 121.76 122.30 1x5g s ALA 104 Ca 0.33 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.60 1x5g s ALA 104 Cb 0.06 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1x5g s ALA 104 CO -0.08 -0.94 -0.03 0.54 0.00 0.00 0.00 175.76 175.25 1x5g s VAL 105 N 1.86 0.20 -0.16 0.00 0.11 -0.20 -4.89 120.40 117.32 1x5g s VAL 105 Ca 0.72 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.38 1x5g s VAL 105 Cb -0.42 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1x5g s VAL 105 CO 0.32 -0.04 0.31 -0.60 -3.33 0.00 0.00 175.10 171.77 1x5g s ARG 106 N -0.31 4.27 1.22 1.54 3.52 -1.26 -0.64 118.95 127.29 1x5g s ARG 106 Ca -0.02 0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.52 1x5g s ARG 106 Cb -0.02 -3.43 0.30 0.00 -1.56 0.00 0.00 34.95 30.23 1x5g s ARG 106 CO -0.00 0.23 1.10 0.95 -0.81 0.00 0.00 175.30 176.76 1x5g s THR 107 N 0.49 1.56 0.49 4.11 -4.23 0.04 -4.78 115.64 113.33 1x5g s THR 107 Ca 0.17 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.51 1x5g s THR 107 Cb -0.13 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 1x5g s THR 107 CO 0.04 0.00 0.98 -0.76 -0.54 0.00 0.00 174.62 174.34 1x5g s LEU 108 N -7.02 3.72 -0.18 4.79 1.43 -1.26 -4.23 118.68 115.93 1x5g s LEU 108 Ca 0.71 1.62 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1x5g s LEU 108 Cb -0.10 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.57 1x5g s LEU 108 CO 0.56 -0.54 0.02 -0.55 0.23 0.00 0.00 176.35 176.08 1x5g s SER 109 N -2.78 5.20 0.01 2.29 0.15 -1.26 -2.61 113.70 114.69 1x5g s SER 109 Ca 0.60 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.94 1x5g s SER 109 Cb -0.10 -1.88 -0.15 0.00 -1.71 0.00 0.00 66.02 62.18 1x5g s SER 109 CO 0.26 0.13 1.11 -2.24 1.20 0.00 0.00 173.24 173.70 1x5g h ASP 110 N 7.00 -0.63 -2.38 5.45 2.03 -1.96 -3.45 116.42 122.48 1x5g h ASP 110 Ca -0.35 -0.04 -0.58 0.00 -0.73 0.00 0.00 57.03 55.33 1x5g h ASP 110 Cb 1.18 0.16 0.20 0.00 -0.83 0.00 0.00 39.33 40.04 1x5g h ASP 110 CO 0.65 -0.25 -1.09 -1.20 -1.03 0.00 0.00 179.24 176.32 1x5g n SER 111 N -5.29 -3.48 0.00 4.15 7.64 -1.26 -4.83 113.62 110.55 1x5g n SER 111 Ca -0.11 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1x5g n SER 111 Cb 0.32 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 112 N 2.48 0.79 0.06 0.23 0.00 -1.26 -5.00 105.19 102.48 1x5g n GLY 112 Ca 0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1x5g n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g h PRO 113 N 0.00 -0.00 -0.43 1.61 0.13 -1.98 -3.28 132.00 128.05 1x5g h PRO 113 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1x5g h PRO 113 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1x5g h PRO 113 CO 0.00 0.49 -0.46 0.77 -0.23 0.00 0.00 178.00 178.57 1x5g h SER 114 N -0.49 -1.54 -3.44 1.44 0.02 -2.01 -3.37 113.55 104.16 1x5g h SER 114 Ca -0.00 0.23 -0.59 0.00 -0.84 0.00 0.00 61.79 60.59 1x5g h SER 114 Cb 0.49 0.67 -0.38 0.00 0.14 0.00 0.00 62.40 63.32 1x5g h SER 114 CO 0.00 -0.37 -0.79 -0.94 -1.14 0.00 0.00 176.83 173.58 1x5g s SER 115 N -5.07 3.30 0.00 3.07 1.04 -1.25 -5.33 113.70 109.47 1x5g s SER 115 Ca -0.15 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1x5g s SER 115 Cb 0.11 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1x5g s SER 115 CO 0.65 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.28