#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1g s LEU 40 N 0.00 4.63 -0.25 1.69 1.43 -1.26 -5.05 118.68 119.88 3n1g s LEU 40 Ca 0.00 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.01 3n1g s LEU 40 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 3n1g s LEU 40 CO 0.00 0.12 -0.05 -0.69 0.23 0.00 0.00 176.35 175.96 3n1g s VAL 41 N -1.02 3.01 0.68 -1.59 1.01 -1.26 -5.11 120.40 116.11 3n1g s VAL 41 Ca 0.42 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 3n1g s VAL 41 Cb -0.26 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3n1g s VAL 41 CO 0.32 0.24 1.16 -2.84 0.00 0.00 0.00 175.10 173.98 3n1g s PRO 42 N 1.36 2.54 0.49 2.72 0.02 -1.26 -4.76 135.00 136.10 3n1g s PRO 42 Ca 0.01 1.61 -0.20 0.00 0.02 0.00 0.00 61.00 62.44 3n1g s PRO 42 Cb -0.16 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 3n1g s PRO 42 CO -0.04 -1.50 1.05 -0.51 -0.33 0.00 0.00 177.00 175.67 3n1g s LEU 43 N -4.87 3.85 0.37 -5.54 1.02 -0.86 -4.93 118.68 107.73 3n1g s LEU 43 Ca 0.72 1.95 -0.10 0.00 0.02 0.00 0.00 54.13 56.71 3n1g s LEU 43 Cb -0.25 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.34 3n1g s LEU 43 CO 0.42 -0.80 0.73 -0.76 0.02 0.00 0.00 176.35 175.95 3n1g s LEU 44 N -3.48 3.90 0.13 1.79 1.43 -1.26 -4.52 118.68 116.67 3n1g s LEU 44 Ca 0.67 1.09 -0.35 0.00 -1.03 0.00 0.00 54.13 54.52 3n1g s LEU 44 Cb -0.17 -3.95 -0.16 0.00 0.03 0.00 0.00 46.19 41.94 3n1g s LEU 44 CO 0.21 -0.34 1.26 0.00 0.23 0.00 0.00 176.35 177.70 3n1g n TYR 45 N -1.10 1.43 -0.73 0.29 9.36 -1.26 -0.80 117.16 124.35 3n1g n TYR 45 Ca 0.02 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.89 3n1g n TYR 45 Cb 0.54 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 3n1g n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1g n LYS 46 N 2.16 0.00 -2.59 2.98 4.76 0.63 -5.01 118.16 121.09 3n1g n LYS 46 Ca 0.17 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 3n1g n LYS 46 Cb 0.22 -2.76 -0.05 0.00 -1.84 0.00 0.00 35.03 30.60 3n1g n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1g s GLN 47 N -0.18 4.43 0.02 1.97 0.74 0.02 -4.76 119.66 121.90 3n1g s GLN 47 Ca 0.00 1.55 0.06 0.00 0.05 0.00 0.00 55.36 57.02 3n1g s GLN 47 Cb 0.00 -2.82 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 3n1g s GLN 47 CO 0.00 0.09 -0.19 -0.59 -0.55 0.00 0.00 175.29 174.05 3n1g s PHE 48 N -1.48 1.64 -0.07 1.67 -0.71 -1.26 -1.31 117.98 116.46 3n1g s PHE 48 Ca 0.51 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 3n1g s PHE 48 Cb -0.24 -1.01 0.02 0.00 -1.21 0.00 0.00 43.02 40.58 3n1g s PHE 48 CO 0.31 0.03 -0.04 0.08 -1.34 0.00 0.00 175.22 174.25 3n1g s VAL 49 N -0.64 0.65 0.76 -2.49 1.01 0.29 -3.08 120.40 116.90 3n1g s VAL 49 Ca 0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 3n1g s VAL 49 Cb -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.65 3n1g s VAL 49 CO 0.01 0.28 1.10 -2.16 0.00 0.00 0.00 175.10 174.32 3n1g s PRO 50 N 1.41 2.30 -0.43 2.72 0.04 -1.26 -1.22 135.00 138.56 3n1g s PRO 50 Ca -0.03 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 3n1g s PRO 50 Cb -0.13 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 3n1g s PRO 50 CO -0.03 -1.62 3.01 0.41 0.04 0.00 0.00 177.00 178.81 3n1g n GLY 51 N -1.02 3.06 3.23 0.56 0.00 -1.18 -4.79 105.19 105.05 3n1g n GLY 51 Ca 0.09 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3n1g n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n1g s VAL 52 N 1.70 0.57 0.63 1.61 -7.23 -1.26 -5.10 120.40 111.32 3n1g s VAL 52 Ca 0.58 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.59 3n1g s VAL 52 Cb 0.24 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3n1g s VAL 52 CO -0.02 -0.46 1.29 -2.65 -0.31 0.00 0.00 175.10 172.95 3n1g n PRO 53 N -0.22 1.21 -0.28 4.82 -0.02 -1.26 -4.89 135.00 134.35 3n1g n PRO 53 Ca -0.06 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 3n1g n PRO 53 Cb 0.63 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 3n1g n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1g h GLU 54 N 0.69 0.72 -0.09 -0.52 4.81 -1.96 -2.30 114.58 115.93 3n1g h GLU 54 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3n1g h GLU 54 Cb 1.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3n1g h GLU 54 CO 0.54 0.48 0.00 0.54 -0.73 0.00 0.00 179.01 179.83 3n1g n ARG 55 N -4.77 1.34 -2.56 1.92 1.74 -1.26 -1.08 116.66 111.98 3n1g n ARG 55 Ca 0.12 -0.51 -0.33 0.00 -0.77 0.00 0.00 57.85 56.37 3n1g n ARG 55 Cb 0.26 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 3n1g n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3n1g s THR 56 N -1.89 4.33 0.25 0.55 -4.23 -0.87 -2.44 115.64 111.35 3n1g s THR 56 Ca 0.27 1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 62.04 3n1g s THR 56 Cb 0.13 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.59 3n1g s THR 56 CO 0.21 -0.47 1.75 -0.07 -0.54 0.00 0.00 174.62 175.50 3n1g h LEU 57 N 1.37 0.44 -1.57 4.79 3.38 -1.89 0.70 115.31 122.52 3n1g h LEU 57 Ca -0.48 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3n1g h LEU 57 Cb 1.19 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3n1g h LEU 57 CO 0.61 0.19 0.00 1.23 0.09 0.00 0.00 178.44 180.55 3n1g h GLY 58 N 0.56 0.00 0.00 0.83 0.00 -1.93 -3.41 103.07 99.12 3n1g h GLY 58 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3n1g h GLY 58 CO -0.37 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.17 3n1g n ALA 59 N -1.86 0.00 0.93 3.60 0.00 0.17 -4.94 120.51 118.41 3n1g n ALA 59 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3n1g n ALA 59 Cb 0.10 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.91 3n1g n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1g n SER 60 N 0.00 0.39 -0.64 0.00 7.64 -0.24 -4.66 113.62 116.12 3n1g n SER 60 Ca 0.00 0.06 0.08 0.00 1.01 0.00 0.00 58.87 60.02 3n1g n SER 60 Cb 0.00 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3n1g n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1g n GLY 61 N 1.47 -2.06 3.77 0.23 0.00 -0.80 -3.72 105.19 104.09 3n1g n GLY 61 Ca 0.06 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3n1g n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n1g n PRO 62 N -2.33 2.53 -1.75 1.61 -0.02 -1.02 -4.26 135.00 129.76 3n1g n PRO 62 Ca 0.00 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 3n1g n PRO 62 Cb 0.27 -2.66 0.03 0.00 -0.02 0.00 0.00 33.50 31.13 3n1g n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n1g n ALA 63 N 0.20 1.83 0.58 3.55 0.00 -1.26 -4.88 120.51 120.52 3n1g n ALA 63 Ca 0.03 0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3n1g n ALA 63 Cb 0.40 -2.38 0.04 0.00 0.00 0.00 0.00 19.45 17.51 3n1g n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3n1g n GLU 64 N -0.64 1.23 0.00 0.00 1.02 -1.26 -5.07 120.64 115.92 3n1g n GLU 64 Ca 0.08 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 3n1g n GLU 64 Cb 0.43 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3n1g n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1g n GLY 65 N 0.86 3.28 3.76 0.62 0.00 -1.26 -5.05 105.19 107.40 3n1g n GLY 65 Ca 0.07 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3n1g n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n1g s ARG 66 N -4.33 4.10 -0.30 1.61 3.52 -1.26 -4.75 118.95 117.54 3n1g s ARG 66 Ca 0.00 2.59 -0.10 0.00 -0.13 0.00 0.00 55.73 58.09 3n1g s ARG 66 Cb 0.00 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3n1g s ARG 66 CO 0.00 -0.60 0.17 0.08 -0.81 0.00 0.00 175.30 174.14 3n1g s VAL 67 N -0.52 4.87 0.12 7.11 1.01 -0.19 -5.02 120.40 127.78 3n1g s VAL 67 Ca 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 3n1g s VAL 67 Cb -0.48 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3n1g s VAL 67 CO 0.55 0.13 0.32 0.00 0.00 0.00 0.00 175.10 176.11 3n1g s ALA 68 N 1.67 3.86 0.18 5.51 0.00 -1.26 -4.85 121.76 126.87 3n1g s ALA 68 Ca 0.06 -0.65 -0.33 0.00 0.00 0.00 0.00 51.96 51.03 3n1g s ALA 68 Cb -0.17 -2.03 -0.14 0.00 0.00 0.00 0.00 23.12 20.78 3n1g s ALA 68 CO 0.08 0.72 1.46 -2.13 0.00 0.00 0.00 175.76 175.90 3n1g n ARG 69 N 0.15 1.91 -0.14 0.00 0.63 -1.26 -1.51 116.66 116.44 3n1g n ARG 69 Ca -0.03 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 3n1g n ARG 69 Cb 0.51 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.04 3n1g n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3n1g n GLY 70 N 2.80 1.23 3.81 5.14 0.00 -1.26 -5.05 105.19 111.86 3n1g n GLY 70 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3n1g n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n1g s SER 71 N -2.96 4.59 0.20 1.61 1.04 -0.57 -4.95 113.70 112.66 3n1g s SER 71 Ca 0.00 1.32 -0.08 0.00 0.48 0.00 0.00 55.95 57.68 3n1g s SER 71 Cb 0.00 -2.07 0.12 0.00 0.10 0.00 0.00 66.02 64.16 3n1g s SER 71 CO 0.00 -1.91 1.65 -0.33 0.98 0.00 0.00 173.24 173.63 3n1g h GLU 72 N -1.04 1.00 -0.50 4.02 4.39 -1.97 -2.37 114.58 118.11 3n1g h GLU 72 Ca -0.47 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 58.88 3n1g h GLU 72 Cb 1.26 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3n1g h GLU 72 CO 0.59 1.01 0.20 0.00 -1.16 0.00 0.00 179.01 179.65 3n1g h ARG 73 N 0.91 0.71 -0.89 2.33 3.08 -1.93 -1.58 114.38 117.01 3n1g h ARG 73 Ca 0.16 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3n1g h ARG 73 Cb 0.58 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3n1g h ARG 73 CO 0.04 0.59 0.58 0.35 -1.07 0.00 0.00 179.97 180.45 3n1g h PHE 74 N 0.71 1.07 0.00 3.04 3.57 -1.66 -1.95 116.94 121.72 3n1g h PHE 74 Ca 0.17 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3n1g h PHE 74 Cb 0.14 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 3n1g h PHE 74 CO 0.01 0.62 -0.07 0.00 -2.23 0.00 0.00 178.31 176.64 3n1g h ARG 75 N 1.11 0.00 0.00 1.11 3.08 -0.91 -0.68 114.38 118.09 3n1g h ARG 75 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3n1g h ARG 75 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3n1g h ARG 75 CO -0.11 0.07 0.00 -0.25 -1.07 0.00 0.00 179.97 178.62 3n1g n ASP 76 N -3.21 0.00 -4.79 7.04 8.00 -0.74 -4.81 116.55 118.05 3n1g n ASP 76 Ca 0.00 -0.13 -0.38 0.00 0.71 0.00 0.00 54.79 54.99 3n1g n ASP 76 Cb 0.33 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3n1g n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3n1g s LEU 77 N -2.56 4.49 -0.07 0.64 1.43 -0.26 -4.81 118.68 117.54 3n1g s LEU 77 Ca 0.27 1.62 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3n1g s LEU 77 Cb 0.19 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.92 3n1g s LEU 77 CO 0.43 0.12 -0.17 -0.69 0.23 0.00 0.00 176.35 176.27 3n1g s VAL 78 N -1.33 1.45 -0.04 -1.59 1.01 -0.95 -4.84 120.40 114.11 3n1g s VAL 78 Ca 0.40 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3n1g s VAL 78 Cb -0.21 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3n1g s VAL 78 CO 0.25 0.42 1.56 -2.84 0.00 0.00 0.00 175.10 174.49 3n1g s PRO 79 N 0.41 4.21 -0.34 2.72 0.02 -1.26 -2.83 135.00 137.93 3n1g s PRO 79 Ca -0.13 2.11 -0.27 0.00 0.02 0.00 0.00 61.00 62.73 3n1g s PRO 79 Cb -0.15 -3.83 0.01 0.00 0.02 0.00 0.00 34.50 30.55 3n1g s PRO 79 CO 0.05 -0.76 0.98 1.21 -0.33 0.00 0.00 177.00 178.14 3n1g s ASN 80 N 2.78 6.78 -0.31 2.53 3.84 -0.12 -4.91 114.94 125.54 3n1g s ASN 80 Ca 0.70 0.79 0.09 0.00 0.21 0.00 0.00 52.86 54.64 3n1g s ASN 80 Cb -0.33 -2.49 0.56 0.00 -0.55 0.00 0.00 41.25 38.44 3n1g s ASN 80 CO 0.28 -0.85 1.57 -1.22 -2.79 0.00 0.00 177.10 174.09 3n1g n TYR 81 N 6.77 1.53 -1.63 0.43 4.01 -1.26 -4.87 117.16 122.14 3n1g n TYR 81 Ca 0.09 -1.51 -0.46 0.00 -0.16 0.00 0.00 57.90 55.86 3n1g n TYR 81 Cb 0.48 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 3n1g n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1g n ASN 82 N -0.97 3.43 0.09 7.72 2.85 -1.26 -4.85 115.26 122.27 3n1g n ASN 82 Ca 0.37 0.68 0.10 0.00 -0.11 0.00 0.00 54.58 55.62 3n1g n ASN 82 Cb 1.16 -1.45 0.43 0.00 1.24 0.00 0.00 39.78 41.17 3n1g n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3n1g n PRO 83 N 7.64 0.13 -0.31 1.20 -0.04 -1.26 -2.20 135.00 140.17 3n1g n PRO 83 Ca 0.26 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.17 3n1g n PRO 83 Cb 0.36 -1.77 0.20 0.00 -0.04 0.00 0.00 33.50 32.26 3n1g n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3n1g n ASP 84 N -2.02 2.75 -4.16 3.54 8.00 -1.26 -4.75 116.55 118.65 3n1g n ASP 84 Ca 0.02 -2.16 -0.30 0.00 0.71 0.00 0.00 54.79 53.06 3n1g n ASP 84 Cb 0.20 -0.38 -0.17 0.00 -0.02 0.00 0.00 41.12 40.75 3n1g n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1g s ILE 85 N -1.60 1.76 -0.11 0.53 1.01 -0.93 -3.85 121.20 118.00 3n1g s ILE 85 Ca 0.30 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 3n1g s ILE 85 Cb 0.18 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 3n1g s ILE 85 CO 0.17 0.49 0.47 -0.63 0.00 0.00 0.00 174.94 175.44 3n1g s ILE 86 N 0.41 5.18 -0.21 2.92 1.01 -0.27 -4.90 121.20 125.36 3n1g s ILE 86 Ca -0.17 0.94 -0.06 0.00 0.00 0.00 0.00 60.65 61.36 3n1g s ILE 86 Cb -0.17 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3n1g s ILE 86 CO 0.07 0.34 0.04 -0.36 0.00 0.00 0.00 174.94 175.02 3n1g s PHE 87 N 0.56 3.11 0.10 3.97 0.08 -1.26 -0.29 117.98 124.25 3n1g s PHE 87 Ca 0.26 -0.28 -0.25 0.00 0.12 0.00 0.00 56.93 56.78 3n1g s PHE 87 Cb -0.15 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.07 3n1g s PHE 87 CO 0.10 -0.15 1.69 -0.22 -0.10 0.00 0.00 175.22 176.54 3n1g h LYS 88 N 7.43 -0.25 -6.49 0.44 3.64 -1.15 -3.46 116.57 116.73 3n1g h LYS 88 Ca -0.36 0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 58.53 3n1g h LYS 88 Cb 1.18 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 3n1g h LYS 88 CO 0.62 -0.16 -0.83 -3.47 -2.27 0.00 0.00 179.45 173.34 3n1g n ASP 89 N -5.25 -2.74 0.33 4.20 2.03 -1.26 -4.81 116.55 109.06 3n1g n ASP 89 Ca -0.07 -0.92 0.21 0.00 0.52 0.00 0.00 54.79 54.53 3n1g n ASP 89 Cb 0.17 -3.29 1.16 0.00 -0.72 0.00 0.00 41.12 38.44 3n1g n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1g h GLU 90 N -1.80 0.00 0.00 -0.67 9.09 -1.89 0.07 114.58 119.38 3n1g h GLU 90 Ca -0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.81 3n1g h GLU 90 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 3n1g h GLU 90 CO 0.69 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.68 3n1g h GLU 91 N 0.00 0.00 -6.48 1.06 3.07 -1.97 -3.46 114.58 106.80 3n1g h GLU 91 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 3n1g h GLU 91 Cb 0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 3n1g h GLU 91 CO 0.00 0.00 -0.85 0.09 -1.40 0.00 0.00 179.01 176.85 3n1g n ASN 92 N -2.76 -1.57 0.00 1.42 3.02 0.01 -4.85 115.26 110.53 3n1g n ASN 92 Ca 0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3n1g n ASN 92 Cb 0.28 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 3n1g n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3n1g n SER 93 N -2.91 0.47 0.00 6.41 3.41 -1.26 -5.02 113.62 114.72 3n1g n SER 93 Ca -0.19 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3n1g n SER 93 Cb 0.62 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 3n1g n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n1g n GLY 94 N 0.28 0.78 0.37 5.00 0.00 -1.26 -4.94 105.19 105.41 3n1g n GLY 94 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3n1g n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1g h ALA 95 N 0.00 1.48 0.00 4.61 0.00 -1.96 -2.48 119.26 120.92 3n1g h ALA 95 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3n1g h ALA 95 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3n1g h ALA 95 CO 0.00 0.40 -0.06 -0.44 0.00 0.00 0.00 179.25 179.14 3n1g h ASP 96 N 1.07 0.00 1.86 0.00 3.32 -1.93 -2.05 116.42 118.69 3n1g h ASP 96 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3n1g h ASP 96 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3n1g h ASP 96 CO -0.14 0.06 -0.07 0.03 -1.72 0.00 0.00 179.24 177.41 3n1g h ARG 97 N 0.00 0.00 -6.31 3.56 3.08 -1.78 -3.33 114.38 109.60 3n1g h ARG 97 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3n1g h ARG 97 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3n1g h ARG 97 CO 0.01 0.00 0.65 -0.51 -1.07 0.00 0.00 179.97 179.05 3n1g s LEU 98 N -5.90 4.28 0.15 3.04 1.43 -0.77 -0.94 118.68 119.96 3n1g s LEU 98 Ca 0.07 1.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.73 3n1g s LEU 98 Cb 0.06 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.78 3n1g s LEU 98 CO 0.67 -0.53 0.51 0.00 0.23 0.00 0.00 176.35 177.22 3n1g s MET 99 N 2.06 1.20 1.03 1.70 0.23 -1.13 -3.03 119.30 121.35 3n1g s MET 99 Ca 0.54 -0.60 -0.14 0.00 -1.03 0.00 0.00 55.69 54.47 3n1g s MET 99 Cb -0.23 0.53 0.20 0.00 -1.53 0.00 0.00 34.83 33.81 3n1g s MET 99 CO 0.22 -0.50 1.11 0.95 -2.03 0.00 0.00 175.02 174.76 3n1g s THR 100 N -3.78 1.93 0.16 3.16 -4.23 -0.69 -2.24 115.64 109.93 3n1g s THR 100 Ca 0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 3n1g s THR 100 Cb 0.00 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.35 3n1g s THR 100 CO -0.12 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.58 3n1g h GLU 101 N -1.99 0.79 -0.53 3.99 4.81 -1.92 -1.21 114.58 118.51 3n1g h GLU 101 Ca -0.52 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 58.48 3n1g h GLU 101 Cb 1.33 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3n1g h GLU 101 CO 0.54 0.70 0.03 -0.09 -0.73 0.00 0.00 179.01 179.46 3n1g h ARG 102 N 0.70 0.88 -0.52 1.92 2.43 -1.93 -1.13 114.38 116.74 3n1g h ARG 102 Ca 0.17 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3n1g h ARG 102 Cb 0.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3n1g h ARG 102 CO -0.01 0.86 0.07 0.00 -1.51 0.00 0.00 179.97 179.38 3n1g h LYS 104 N 0.75 0.11 -0.68 0.00 3.64 -0.86 0.02 116.57 119.55 3n1g h LYS 104 Ca 0.16 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3n1g h LYS 104 Cb 0.42 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3n1g h LYS 104 CO 0.01 0.11 0.42 0.93 -2.27 0.00 0.00 179.45 178.64 3n1g h GLU 105 N 0.07 0.78 -0.12 1.90 4.39 -1.05 -0.30 114.58 120.25 3n1g h GLU 105 Ca 0.03 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 3n1g h GLU 105 Cb 0.03 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3n1g h GLU 105 CO -0.01 0.52 -0.75 0.00 -1.16 0.00 0.00 179.01 177.61 3n1g h ARG 106 N 0.81 0.60 -0.03 2.33 2.47 -1.09 -2.60 114.38 116.87 3n1g h ARG 106 Ca 0.28 -0.49 -0.14 0.00 -1.26 0.00 0.00 59.98 58.37 3n1g h ARG 106 Cb 0.05 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3n1g h ARG 106 CO -0.12 1.11 -0.65 -0.24 0.56 0.00 0.00 179.97 180.64 3n1g h VAL 107 N 0.41 1.43 -0.26 2.04 3.04 -0.78 -1.17 116.25 120.98 3n1g h VAL 107 Ca -0.04 -2.14 -0.09 0.00 -1.01 0.00 0.00 66.70 63.41 3n1g h VAL 107 Cb 1.35 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 32.75 3n1g h VAL 107 CO 0.14 0.62 -0.24 0.78 -1.01 0.00 0.00 177.57 177.86 3n1g h ASN 108 N 0.08 0.49 -0.27 3.17 2.35 -0.98 0.03 115.58 120.45 3n1g h ASN 108 Ca -0.01 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3n1g h ASN 108 Cb 1.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3n1g h ASN 108 CO 0.09 0.73 -0.07 0.00 -1.65 0.00 0.00 177.43 176.54 3n1g h ALA 109 N 1.31 0.38 -0.57 -0.83 0.00 -1.18 -2.97 119.26 115.40 3n1g h ALA 109 Ca 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3n1g h ALA 109 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3n1g h ALA 109 CO 0.05 0.19 0.35 1.25 0.00 0.00 0.00 179.25 181.09 3n1g h LEU 110 N 0.29 0.58 -0.88 0.00 5.85 -0.83 -2.14 115.31 118.17 3n1g h LEU 110 Ca 0.07 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.92 3n1g h LEU 110 Cb 0.54 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3n1g h LEU 110 CO 0.03 0.41 0.50 0.00 -0.34 0.00 0.00 178.44 179.03 3n1g h ALA 111 N 1.24 1.32 -0.26 1.25 0.00 -0.94 0.13 119.26 122.00 3n1g h ALA 111 Ca 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3n1g h ALA 111 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n1g h ALA 111 CO -0.09 0.02 0.10 0.82 0.00 0.00 0.00 179.25 180.10 3n1g h ILE 112 N 0.75 1.18 -0.93 0.00 2.04 -1.28 -2.84 117.51 116.43 3n1g h ILE 112 Ca 0.46 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3n1g h ILE 112 Cb 0.56 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3n1g h ILE 112 CO -0.31 0.18 0.59 0.00 0.00 0.00 0.00 178.15 178.61 3n1g h ALA 113 N 0.94 1.18 -0.36 1.87 0.00 -0.63 -2.37 119.26 119.89 3n1g h ALA 113 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3n1g h ALA 113 Cb 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3n1g h ALA 113 CO -0.01 0.60 0.08 0.28 0.00 0.00 0.00 179.25 180.21 3n1g h VAL 114 N 1.27 1.23 -0.20 0.00 2.07 -0.94 -1.01 116.25 118.66 3n1g h VAL 114 Ca 0.34 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 3n1g h VAL 114 Cb -0.11 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3n1g h VAL 114 CO -0.07 0.26 -0.36 0.24 0.02 0.00 0.00 177.57 177.67 3n1g h MET 115 N 0.43 0.42 -0.43 1.57 2.07 -1.35 -1.68 114.93 115.96 3n1g h MET 115 Ca 0.11 -0.19 -0.14 0.00 -2.07 0.00 0.00 59.70 57.41 3n1g h MET 115 Cb 0.31 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 3n1g h MET 115 CO 0.00 0.72 -0.29 -0.91 1.07 0.00 0.00 176.91 177.50 3n1g h ASN 116 N 0.36 0.98 -0.36 1.22 2.35 -1.31 -3.26 115.58 115.56 3n1g h ASN 116 Ca 0.04 -0.41 -0.15 0.00 -0.55 0.00 0.00 56.30 55.23 3n1g h ASN 116 Cb 0.80 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3n1g h ASN 116 CO 0.06 1.20 -0.37 -0.03 -1.65 0.00 0.00 177.43 176.64 3n1g h MET 117 N 0.79 0.88 -3.31 0.81 4.05 -0.89 -3.40 114.93 113.86 3n1g h MET 117 Ca 0.09 -0.47 -0.60 0.00 -0.28 0.00 0.00 59.70 58.44 3n1g h MET 117 Cb 0.87 0.02 -0.40 0.00 -0.80 0.00 0.00 31.60 31.29 3n1g h MET 117 CO 0.08 1.12 -0.75 -1.58 0.23 0.00 0.00 176.91 176.00 3n1g s TRP 118 N -4.37 1.85 0.16 1.39 0.51 -0.66 -5.10 118.94 112.71 3n1g s TRP 118 Ca -0.11 -2.07 -0.34 0.00 -2.12 0.00 0.00 56.10 51.46 3n1g s TRP 118 Cb 0.10 -1.79 -0.15 0.00 -0.81 0.00 0.00 33.47 30.83 3n1g s TRP 118 CO 0.87 -0.84 1.46 -2.30 -0.51 0.00 0.00 176.95 175.63 3n1g n PRO 119 N 4.24 1.82 0.00 4.98 -0.02 -1.23 -1.31 135.00 143.48 3n1g n PRO 119 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3n1g n PRO 119 Cb 0.39 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3n1g n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1g n GLY 120 N 2.87 1.68 3.78 -1.23 0.00 -1.26 -5.02 105.19 106.00 3n1g n GLY 120 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3n1g n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1g s VAL 121 N -2.55 4.85 0.24 1.61 1.01 -0.42 -5.02 120.40 120.12 3n1g s VAL 121 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3n1g s VAL 121 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3n1g s VAL 121 CO 0.00 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.37 3n1g s ARG 122 N -1.16 1.47 0.38 2.72 0.52 -1.26 -3.89 118.95 117.73 3n1g s ARG 122 Ca 0.16 -1.68 -0.26 0.00 -0.52 0.00 0.00 55.73 53.43 3n1g s ARG 122 Cb -0.12 -1.33 -0.09 0.00 0.52 0.00 0.00 34.95 33.94 3n1g s ARG 122 CO 0.06 0.21 1.23 -1.17 0.02 0.00 0.00 175.30 175.64 3n1g s LEU 123 N -3.40 4.27 -0.04 2.53 2.96 -1.25 0.01 118.68 123.76 3n1g s LEU 123 Ca 0.26 2.49 0.03 0.00 -0.22 0.00 0.00 54.13 56.69 3n1g s LEU 123 Cb -0.01 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.79 3n1g s LEU 123 CO 0.10 -0.66 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.74 3n1g s ARG 124 N -2.12 1.51 -0.23 1.98 3.52 -0.27 -1.11 118.95 122.22 3n1g s ARG 124 Ca 0.55 -0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 55.62 3n1g s ARG 124 Cb -0.35 -1.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.71 3n1g s ARG 124 CO 0.44 0.15 0.01 0.08 -0.81 0.00 0.00 175.30 175.18 3n1g s VAL 125 N 0.23 3.82 -0.05 7.11 1.01 0.60 -1.01 120.40 132.11 3n1g s VAL 125 Ca -0.06 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3n1g s VAL 125 Cb -0.12 -2.76 -0.24 0.00 0.00 0.00 0.00 36.38 33.26 3n1g s VAL 125 CO 0.02 0.39 0.64 0.71 0.00 0.00 0.00 175.10 176.86 3n1g h THR 126 N 5.62 0.85 -3.23 3.92 1.35 -1.12 0.65 112.91 120.95 3n1g h THR 126 Ca -0.40 -2.66 -0.26 0.00 -0.55 0.00 0.00 66.41 62.54 3n1g h THR 126 Cb 1.17 2.48 -0.33 0.00 -1.73 0.00 0.00 68.15 69.73 3n1g h THR 126 CO 0.59 0.61 -0.62 -1.61 -0.25 0.00 0.00 175.52 174.24 3n1g s GLU 127 N -2.60 0.06 0.00 4.72 0.41 -1.21 -4.62 118.70 115.46 3n1g s GLU 127 Ca -0.08 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 3n1g s GLU 127 Cb 0.08 -0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.21 3n1g s GLU 127 CO 0.82 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 3n1g n GLY 128 N 4.54 1.26 3.75 -1.39 0.00 -1.25 -0.56 105.19 111.54 3n1g n GLY 128 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3n1g n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1g s TRP 129 N 3.07 2.98 -0.02 1.61 -0.00 -1.17 -4.74 118.94 120.68 3n1g s TRP 129 Ca 0.00 1.14 0.08 0.00 -0.00 0.00 0.00 56.10 57.32 3n1g s TRP 129 Cb 0.00 -3.80 -0.02 0.00 -0.00 0.00 0.00 33.47 29.65 3n1g s TRP 129 CO 0.00 -2.50 -0.26 0.34 -0.00 0.00 0.00 176.95 174.54 3n1g s ASP 130 N 0.10 3.01 0.00 5.86 2.15 -0.24 -4.21 116.67 123.34 3n1g s ASP 130 Ca 0.56 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.07 3n1g s ASP 130 Cb -0.42 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.87 3n1g s ASP 130 CO 0.48 0.31 0.47 -1.84 -0.17 0.00 0.00 175.17 174.42 3n1g n GLU 131 N 2.40 0.33 0.09 4.34 0.28 -1.26 -4.62 120.64 122.21 3n1g n GLU 131 Ca -0.16 -0.58 -0.05 0.00 -0.16 0.00 0.00 57.16 56.21 3n1g n GLU 131 Cb 0.51 -0.77 0.01 0.00 1.43 0.00 0.00 31.44 32.62 3n1g n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1g h ASP 132 N 0.00 0.01 0.00 -1.84 3.32 -2.01 -3.48 116.42 112.42 3n1g h ASP 132 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3n1g h ASP 132 Cb 0.43 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3n1g h ASP 132 CO 0.00 0.84 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 3n1g n GLY 133 N 0.85 0.72 0.22 2.75 0.00 -1.26 -4.96 105.19 103.51 3n1g n GLY 133 Ca -0.01 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.67 3n1g n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1g n HIS 134 N -2.45 0.00 -2.86 1.61 1.44 -1.26 -4.90 115.22 106.80 3n1g n HIS 134 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 3n1g n HIS 134 Cb 0.00 -0.13 -0.04 0.00 0.12 0.00 0.00 29.99 29.93 3n1g n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1g s HIS 135 N -2.57 3.43 0.88 -1.40 3.76 -1.26 -5.04 115.29 113.09 3n1g s HIS 135 Ca 0.22 1.18 -0.11 0.00 -0.15 0.00 0.00 55.06 56.21 3n1g s HIS 135 Cb 0.19 -2.54 0.13 0.00 1.11 0.00 0.00 32.58 31.46 3n1g s HIS 135 CO 0.55 -0.09 1.16 0.00 -0.85 0.00 0.00 174.74 175.51 3n1g s ALA 136 N -2.29 1.61 0.26 -1.40 0.00 -1.26 -4.87 121.76 113.81 3n1g s ALA 136 Ca 0.54 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3n1g s ALA 136 Cb -0.10 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 3n1g s ALA 136 CO 0.26 -2.59 1.16 0.94 0.00 0.00 0.00 175.76 175.54 3n1g n GLN 137 N -3.97 1.55 -1.00 0.00 -0.06 -1.26 -1.37 117.38 111.26 3n1g n GLN 137 Ca 0.12 0.55 -0.00 0.00 -2.00 0.00 0.00 57.00 55.67 3n1g n GLN 137 Cb 0.52 -2.03 -0.00 0.00 -4.06 0.00 0.00 30.24 24.67 3n1g n GLN 137 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3n1g n ASP 138 N 1.53 -4.36 -4.77 1.69 8.00 -1.26 -4.97 116.55 112.41 3n1g n ASP 138 Ca 0.11 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 3n1g n ASP 138 Cb 0.31 -1.87 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 3n1g n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3n1g n SER 139 N -0.44 3.68 0.02 -2.24 2.88 -0.47 -4.75 113.62 112.29 3n1g n SER 139 Ca -0.00 1.22 0.10 0.00 -1.33 0.00 0.00 58.87 58.86 3n1g n SER 139 Cb 0.23 -1.61 0.42 0.00 -0.75 0.00 0.00 64.21 62.50 3n1g n SER 139 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3n1g n LEU 140 N 0.44 0.12 0.28 2.46 4.77 -1.26 -2.34 117.00 121.47 3n1g n LEU 140 Ca 0.02 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 3n1g n LEU 140 Cb 0.39 -0.50 0.82 0.00 -2.33 0.00 0.00 43.42 41.80 3n1g n LEU 140 CO 0.63 -0.21 1.08 0.45 -1.33 0.00 0.00 177.39 178.01 3n1g h HIS 141 N 0.00 0.00 0.00 -1.77 3.86 -1.85 -1.82 115.15 113.57 3n1g h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3n1g h HIS 141 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3n1g h HIS 141 CO 0.00 0.03 0.00 0.66 0.86 0.00 0.00 177.93 179.48 3n1g n TYR 142 N -3.94 0.00 -0.09 2.45 4.01 -0.99 -1.08 117.16 117.53 3n1g n TYR 142 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3n1g n TYR 142 Cb 0.12 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 3n1g n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1g n GLU 143 N -1.30 1.71 -1.12 -0.72 1.02 -0.73 -1.03 120.64 118.48 3n1g n GLU 143 Ca 0.12 -1.14 -0.04 0.00 -0.02 0.00 0.00 57.16 56.08 3n1g n GLU 143 Cb 0.22 -0.96 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 3n1g n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1g n GLY 144 N -0.33 0.69 0.51 0.62 0.00 -1.20 -4.68 105.19 100.81 3n1g n GLY 144 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.33 3n1g n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1g n ARG 145 N -2.77 1.35 -3.91 1.61 1.74 -0.92 -1.71 116.66 112.06 3n1g n ARG 145 Ca -0.04 -1.47 -0.11 0.00 -0.77 0.00 0.00 57.85 55.46 3n1g n ARG 145 Cb 0.15 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 3n1g n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1g s ALA 146 N -0.95 -0.02 -0.01 7.54 0.00 -1.19 -0.92 121.76 126.21 3n1g s ALA 146 Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3n1g s ALA 146 Cb 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3n1g s ALA 146 CO 0.15 -0.08 -0.14 -0.51 0.00 0.00 0.00 175.76 175.18 3n1g s LEU 147 N -0.62 2.03 -0.18 0.00 1.43 0.21 -4.37 118.68 117.18 3n1g s LEU 147 Ca -0.07 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3n1g s LEU 147 Cb -0.04 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 3n1g s LEU 147 CO -0.00 0.17 0.19 -1.81 0.23 0.00 0.00 176.35 175.12 3n1g s ASP 148 N -0.35 6.30 0.11 2.29 1.01 0.28 -1.37 116.67 124.93 3n1g s ASP 148 Ca 0.05 0.35 0.05 0.00 0.71 0.00 0.00 52.55 53.71 3n1g s ASP 148 Cb -0.05 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3n1g s ASP 148 CO -0.00 0.17 -0.12 0.27 0.21 0.00 0.00 175.17 175.69 3n1g s ILE 149 N 0.29 1.12 0.33 0.77 -4.36 0.29 -0.54 121.20 119.09 3n1g s ILE 149 Ca 0.11 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.91 3n1g s ILE 149 Cb -0.12 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 3n1g s ILE 149 CO 0.01 -0.47 0.32 0.42 0.24 0.00 0.00 174.94 175.45 3n1g s THR 150 N -2.21 0.00 0.51 8.37 -4.23 -0.18 -1.30 115.64 116.60 3n1g s THR 150 Ca 0.06 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3n1g s THR 150 Cb -0.04 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 3n1g s THR 150 CO 0.02 0.00 0.82 0.42 -0.54 0.00 0.00 174.62 175.34 3n1g s THR 151 N -3.36 4.66 0.43 3.99 -4.23 -1.26 -1.12 115.64 114.75 3n1g s THR 151 Ca 0.39 0.20 0.34 0.00 -1.18 0.00 0.00 61.69 61.44 3n1g s THR 151 Cb 0.02 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.43 3n1g s THR 151 CO 0.26 -0.80 2.15 0.77 -0.54 0.00 0.00 174.62 176.46 3n1g h SER 152 N 0.12 0.00 -0.21 3.99 4.64 -0.70 -1.79 113.55 119.59 3n1g h SER 152 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3n1g h SER 152 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3n1g h SER 152 CO 0.61 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 3n1g n ASP 153 N -3.38 2.16 -2.68 4.97 5.68 -1.26 -4.94 116.55 117.10 3n1g n ASP 153 Ca -0.02 -1.79 -0.15 0.00 -0.50 0.00 0.00 54.79 52.34 3n1g n ASP 153 Cb 0.20 -0.13 -0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3n1g n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1g n ARG 154 N 0.65 -2.64 -2.71 0.11 3.00 -0.68 -4.90 116.66 109.49 3n1g n ARG 154 Ca 0.17 0.56 -0.42 0.00 -0.01 0.00 0.00 57.85 58.15 3n1g n ARG 154 Cb 0.41 -5.20 -0.03 0.00 0.00 0.00 0.00 32.46 27.64 3n1g n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1g s ASP 155 N -2.22 6.33 0.57 0.55 2.15 -1.26 -4.88 116.67 117.91 3n1g s ASP 155 Ca 0.11 -0.28 0.30 0.00 0.43 0.00 0.00 52.55 53.11 3n1g s ASP 155 Cb -0.05 -2.49 1.75 0.00 -0.30 0.00 0.00 42.92 41.83 3n1g s ASP 155 CO 0.13 -1.42 2.20 0.03 -0.17 0.00 0.00 175.17 175.94 3n1g h ARG 156 N 9.52 0.00 0.00 4.34 3.08 -1.90 -0.14 114.38 129.28 3n1g h ARG 156 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3n1g h ARG 156 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3n1g h ARG 156 CO 1.16 0.04 0.00 -0.91 -1.07 0.00 0.00 179.97 179.19 3n1g h ASN 157 N 0.00 0.00 0.70 7.04 -0.26 -1.96 -2.35 115.58 118.75 3n1g h ASN 157 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3n1g h ASN 157 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3n1g h ASN 157 CO 0.01 0.00 -0.53 0.29 -1.06 0.00 0.00 177.43 176.14 3n1g n LYS 158 N -2.96 0.13 -0.06 0.81 5.02 -0.06 -4.49 118.16 116.55 3n1g n LYS 158 Ca -0.02 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 3n1g n LYS 158 Cb 0.12 -1.58 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3n1g n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1g h TYR 159 N 0.00 0.90 -0.48 2.13 -1.99 -1.53 0.24 116.97 116.24 3n1g h TYR 159 Ca 0.00 -0.27 0.05 0.00 2.00 0.00 0.00 58.73 60.51 3n1g h TYR 159 Cb 0.61 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 3n1g h TYR 159 CO 0.00 1.03 0.22 0.78 -0.00 0.00 0.00 178.16 180.19 3n1g h GLY 160 N 0.92 0.66 1.27 3.88 0.00 -1.79 0.98 103.07 108.99 3n1g h GLY 160 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 3n1g h GLY 160 CO 0.09 0.08 -0.54 -2.00 0.00 0.00 0.00 176.54 174.17 3n1g h LEU 161 N 0.44 0.85 -0.67 3.11 5.85 -1.74 -2.17 115.31 120.99 3n1g h LEU 161 Ca 0.21 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3n1g h LEU 161 Cb 0.15 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3n1g h LEU 161 CO -0.17 1.23 0.27 0.25 -0.34 0.00 0.00 178.44 179.68 3n1g h LEU 162 N 0.59 0.29 -0.37 2.25 5.85 -0.19 0.63 115.31 124.35 3n1g h LEU 162 Ca 0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3n1g h LEU 162 Cb 1.13 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3n1g h LEU 162 CO 0.12 0.15 0.24 0.00 -0.34 0.00 0.00 178.44 178.61 3n1g h ALA 163 N 1.45 0.48 -0.87 1.25 0.00 -0.63 -0.68 119.26 120.26 3n1g h ALA 163 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3n1g h ALA 163 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3n1g h ALA 163 CO -0.32 -0.05 0.55 -0.09 0.00 0.00 0.00 179.25 179.34 3n1g h ARG 164 N 0.50 1.17 -0.56 0.00 9.65 -0.92 -1.39 114.38 122.83 3n1g h ARG 164 Ca 0.14 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3n1g h ARG 164 Cb -0.03 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.27 3n1g h ARG 164 CO -0.03 0.80 0.35 -0.07 2.80 0.00 0.00 179.97 183.82 3n1g h LEU 165 N 1.19 0.66 -0.73 3.80 3.38 -0.25 -1.18 115.31 122.18 3n1g h LEU 165 Ca 0.32 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3n1g h LEU 165 Cb -0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3n1g h LEU 165 CO -0.06 0.50 0.11 0.00 0.09 0.00 0.00 178.44 179.08 3n1g h ALA 166 N 1.61 0.95 -0.06 1.53 0.00 -0.07 0.13 119.26 123.35 3n1g h ALA 166 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n1g h ALA 166 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3n1g h ALA 166 CO -0.04 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.14 3n1g h VAL 167 N 1.01 0.95 0.00 0.00 2.07 -0.72 -2.46 116.25 117.10 3n1g h VAL 167 Ca 0.20 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 3n1g h VAL 167 Cb 0.43 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3n1g h VAL 167 CO 0.01 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.10 3n1g h GLU 168 N 0.01 0.00 0.00 1.57 4.39 -0.82 -1.48 114.58 118.25 3n1g h GLU 168 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3n1g h GLU 168 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3n1g h GLU 168 CO -0.05 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.97 3n1g n ALA 169 N -2.42 2.30 -0.12 3.43 0.00 0.41 -4.91 120.51 119.21 3n1g n ALA 169 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3n1g n ALA 169 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3n1g n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1g n GLY 170 N 0.92 0.94 3.77 0.00 0.00 -0.56 -4.74 105.19 105.51 3n1g n GLY 170 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3n1g n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1g s PHE 171 N -2.00 2.87 -0.50 1.61 0.08 -0.96 -4.90 117.98 114.18 3n1g s PHE 171 Ca 0.00 1.20 0.24 0.00 0.12 0.00 0.00 56.93 58.49 3n1g s PHE 171 Cb 0.00 -3.85 0.54 0.00 -0.57 0.00 0.00 43.02 39.14 3n1g s PHE 171 CO 0.00 -2.54 1.68 -0.44 -0.10 0.00 0.00 175.22 173.82 3n1g h ASP 172 N 3.74 0.00 -3.72 1.36 3.32 -1.51 -3.44 116.42 116.17 3n1g h ASP 172 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 3n1g h ASP 172 Cb 1.23 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.53 3n1g h ASP 172 CO 0.69 0.00 -0.28 0.86 -1.72 0.00 0.00 179.24 178.79 3n1g s TRP 173 N -3.20 -0.46 -0.03 4.55 -0.00 -1.03 -3.96 118.94 114.81 3n1g s TRP 173 Ca 0.08 1.08 0.00 0.00 -0.00 0.00 0.00 56.10 57.26 3n1g s TRP 173 Cb 0.07 0.17 0.03 0.00 -0.00 0.00 0.00 33.47 33.74 3n1g s TRP 173 CO 0.64 -0.23 0.00 0.08 -0.00 0.00 0.00 176.95 177.43 3n1g s VAL 174 N 0.49 0.18 -0.09 5.86 1.01 -0.36 -1.11 120.40 126.38 3n1g s VAL 174 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 3n1g s VAL 174 Cb -0.04 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3n1g s VAL 174 CO -0.03 0.15 0.02 -0.47 0.00 0.00 0.00 175.10 174.78 3n1g s TYR 175 N 1.11 0.60 -1.34 5.22 5.04 0.48 -0.55 117.35 127.91 3n1g s TYR 175 Ca -0.09 -0.20 -0.16 0.00 -2.44 0.00 0.00 57.07 54.19 3n1g s TYR 175 Cb -0.13 -0.78 0.08 0.00 0.35 0.00 0.00 41.96 41.47 3n1g s TYR 175 CO -0.02 -0.35 1.88 0.98 -1.34 0.00 0.00 175.55 176.70 3n1g n TYR 176 N 5.16 4.23 0.10 4.97 4.19 -0.42 -0.64 117.16 134.74 3n1g n TYR 176 Ca -0.07 -2.93 -0.05 0.00 3.31 0.00 0.00 57.90 58.16 3n1g n TYR 176 Cb 0.50 -2.53 0.08 0.00 0.49 0.00 0.00 39.34 37.88 3n1g n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1g h GLU 177 N 6.90 0.16 -3.92 2.98 4.81 -1.86 0.18 114.58 123.83 3n1g h GLU 177 Ca 0.47 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 3n1g h GLU 177 Cb 0.78 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.04 3n1g h GLU 177 CO 1.59 0.80 -0.49 0.45 -0.73 0.00 0.00 179.01 180.63 3n1g s SER 178 N -6.88 0.24 0.44 1.04 0.15 -1.08 -4.83 113.70 102.77 3n1g s SER 178 Ca -0.03 -0.71 0.30 0.00 0.70 0.00 0.00 55.95 56.21 3n1g s SER 178 Cb 0.11 0.27 1.42 0.00 -1.71 0.00 0.00 66.02 66.12 3n1g s SER 178 CO 0.80 -0.64 1.91 0.03 1.20 0.00 0.00 173.24 176.55 3n1g h ARG 179 N 3.09 0.00 0.00 5.44 3.08 -2.02 -3.24 114.38 120.74 3n1g h ARG 179 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3n1g h ARG 179 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3n1g h ARG 179 CO 0.57 0.00 -1.05 0.09 -1.07 0.00 0.00 179.97 178.51 3n1g n ASN 180 N -2.66 0.88 -3.54 7.04 5.03 -1.26 -4.90 115.26 115.85 3n1g n ASN 180 Ca -0.00 -0.88 -0.09 0.00 0.87 0.00 0.00 54.58 54.49 3n1g n ASN 180 Cb 0.18 1.10 -0.02 0.00 -1.02 0.00 0.00 39.78 40.02 3n1g n ASN 180 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 3n1g s HIS 181 N -2.95 -0.37 -0.04 3.10 -3.43 -1.22 -4.88 115.29 105.49 3n1g s HIS 181 Ca 0.06 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.48 3n1g s HIS 181 Cb 0.15 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 3n1g s HIS 181 CO 0.83 -0.73 -0.01 0.08 -2.00 0.00 0.00 174.74 172.91 3n1g s VAL 182 N -3.40 4.16 -0.18 -5.38 1.01 -0.42 -2.65 120.40 113.55 3n1g s VAL 182 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3n1g s VAL 182 Cb -0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3n1g s VAL 182 CO -0.08 0.50 0.05 -2.28 0.00 0.00 0.00 175.10 173.29 3n1g s HIS 183 N -0.97 3.20 0.02 5.22 5.04 0.19 -0.55 115.29 127.44 3n1g s HIS 183 Ca 0.16 -0.01 0.03 0.00 -1.54 0.00 0.00 55.06 53.70 3n1g s HIS 183 Cb -0.11 -2.07 -0.01 0.00 0.04 0.00 0.00 32.58 30.43 3n1g s HIS 183 CO 0.06 0.10 -0.09 0.14 -2.34 0.00 0.00 174.74 172.60 3n1g s VAL 184 N 0.43 0.72 0.18 0.89 -7.23 -0.47 -0.39 120.40 114.52 3n1g s VAL 184 Ca 0.02 -0.69 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 3n1g s VAL 184 Cb -0.13 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 3n1g s VAL 184 CO 0.01 -0.01 0.26 -0.94 -0.31 0.00 0.00 175.10 174.10 3n1g s SER 185 N -0.79 0.08 0.12 4.85 1.04 -0.27 -0.62 113.70 118.11 3n1g s SER 185 Ca -0.01 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.47 3n1g s SER 185 Cb -0.06 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3n1g s SER 185 CO 0.00 -0.90 -0.11 0.68 0.98 0.00 0.00 173.24 173.90 3n1g s VAL 186 N -4.01 1.13 0.99 5.02 -7.23 -0.10 -1.25 120.40 114.94 3n1g s VAL 186 Ca 0.22 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 3n1g s VAL 186 Cb 0.04 -1.58 0.17 0.00 0.56 0.00 0.00 36.38 35.57 3n1g s VAL 186 CO 0.03 -0.59 1.05 0.29 -0.31 0.00 0.00 175.10 175.57 3n1g n LYS 187 N 0.27 -0.95 -2.39 4.82 5.02 -1.24 -4.84 118.16 118.85 3n1g n LYS 187 Ca -0.14 -0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 55.58 3n1g n LYS 187 Cb 0.59 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 3n1g n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n1g s ALA 188 N -2.56 2.86 -1.17 7.82 0.00 -1.26 -4.85 121.76 122.60 3n1g s ALA 188 Ca 0.67 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3n1g s ALA 188 Cb -0.23 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3n1g s ALA 188 CO 0.60 -0.52 0.29 -0.25 0.00 0.00 0.00 175.76 175.89