#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr3 s ARG 31 N 0.00 1.37 0.08 1.47 0.52 -1.26 -5.03 118.95 116.10 1sr3 s ARG 31 Ca 0.00 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.18 1sr3 s ARG 31 Cb 0.00 0.39 -0.10 0.00 0.52 0.00 0.00 34.95 35.76 1sr3 s ARG 31 CO 0.00 -0.64 1.39 0.77 0.02 0.00 0.00 175.30 176.84 1sr3 h SER 32 N 2.00 0.67 0.00 0.23 0.02 -2.12 -3.50 113.55 110.85 1sr3 h SER 32 Ca -0.28 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1sr3 h SER 32 Cb 1.22 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1sr3 h SER 32 CO 0.35 1.02 0.00 0.59 -1.14 0.00 0.00 176.83 177.65 1sr3 n ASN 33 N -4.32 -0.94 -2.99 3.07 4.13 -1.26 -4.94 115.26 108.01 1sr3 n ASN 33 Ca -0.05 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.05 1sr3 n ASN 33 Cb 0.46 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.64 1sr3 n ASN 33 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1sr3 n ILE 34 N 0.00 0.00 -1.53 2.41 2.08 -1.26 -5.15 119.36 115.91 1sr3 n ILE 34 Ca 0.00 -1.81 -0.37 0.00 0.56 0.00 0.00 62.75 61.13 1sr3 n ILE 34 Cb 0.00 0.77 0.06 0.00 -0.75 0.00 0.00 39.64 39.72 1sr3 n ILE 34 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1sr3 n ASP 35 N -1.83 0.46 -3.99 4.38 9.92 -1.26 -5.02 116.55 119.21 1sr3 n ASP 35 Ca 0.00 0.75 -0.30 0.00 -0.53 0.00 0.00 54.79 54.71 1sr3 n ASP 35 Cb 0.46 -1.37 0.24 0.00 -0.64 0.00 0.00 41.12 39.80 1sr3 n ASP 35 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1sr3 s LEU 36 N -2.10 0.58 -0.08 0.64 0.05 -1.26 -5.06 118.68 111.45 1sr3 s LEU 36 Ca 0.75 0.84 -0.30 0.00 0.05 0.00 0.00 54.13 55.48 1sr3 s LEU 36 Cb -0.39 -2.62 0.11 0.00 -2.05 0.00 0.00 46.19 41.23 1sr3 s LEU 36 CO 0.48 -4.15 0.89 0.12 -0.55 0.00 0.00 176.35 173.14 1sr3 s PHE 37 N -2.84 -0.42 0.35 3.48 2.19 -1.26 -4.04 117.98 115.44 1sr3 s PHE 37 Ca 0.69 0.58 0.02 0.00 0.33 0.00 0.00 56.93 58.55 1sr3 s PHE 37 Cb -0.13 0.48 -0.01 0.00 -1.31 0.00 0.00 43.02 42.04 1sr3 s PHE 37 CO 0.57 -0.48 0.41 0.66 1.83 0.00 0.00 175.22 178.22 1sr3 n TYR 38 N 0.40 -1.20 -4.28 10.12 4.01 0.17 -4.92 117.16 121.48 1sr3 n TYR 38 Ca -0.12 -2.61 -0.18 0.00 -0.16 0.00 0.00 57.90 54.83 1sr3 n TYR 38 Cb 0.59 0.45 -0.09 0.00 -0.31 0.00 0.00 39.34 39.99 1sr3 n TYR 38 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1sr3 s THR 39 N -3.06 0.04 -0.70 -0.72 -4.23 -1.26 -1.89 115.64 103.82 1sr3 s THR 39 Ca 0.35 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1sr3 s THR 39 Cb 0.00 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.59 1sr3 s THR 39 CO 0.25 0.00 1.73 -0.81 -0.54 0.00 0.00 174.62 175.24 1sr3 n PRO 40 N -0.56 0.17 -0.02 3.99 -0.04 -1.25 -1.91 135.00 135.38 1sr3 n PRO 40 Ca 0.06 0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 1sr3 n PRO 40 Cb 0.63 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1sr3 n PRO 40 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sr3 h GLY 41 N 3.40 0.20 1.93 0.55 0.00 -1.93 -3.29 103.07 103.92 1sr3 h GLY 41 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1sr3 h GLY 41 CO 0.00 0.44 -0.16 0.83 0.00 0.00 0.00 176.54 177.65 1sr3 h GLU 42 N -0.51 0.09 0.00 4.80 5.08 -1.58 0.16 114.58 122.63 1sr3 h GLU 42 Ca -0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1sr3 h GLU 42 Cb 1.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1sr3 h GLU 42 CO 0.01 0.25 -0.07 0.82 -1.00 0.00 0.00 179.01 179.02 1sr3 h ILE 43 N 0.09 0.19 0.00 3.13 2.04 -1.66 -2.65 117.51 118.66 1sr3 h ILE 43 Ca 0.02 -0.67 -0.26 0.00 1.00 0.00 0.00 64.86 64.94 1sr3 h ILE 43 Cb 0.34 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1sr3 h ILE 43 CO 0.02 0.07 -1.92 0.18 0.00 0.00 0.00 178.15 176.51 1sr3 n LEU 44 N -3.21 2.09 -0.00 1.44 4.77 -0.14 -4.73 117.00 117.21 1sr3 n LEU 44 Ca 0.00 0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1sr3 n LEU 44 Cb 0.33 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1sr3 n LEU 44 CO 0.29 0.56 0.05 -1.22 -1.33 0.00 0.00 177.39 175.74 1sr3 n TYR 45 N -3.35 0.00 0.00 -1.77 4.02 0.38 -5.05 117.16 111.39 1sr3 n TYR 45 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1sr3 n TYR 45 Cb 0.77 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 1sr3 n TYR 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sr3 n GLY 46 N 1.50 3.51 3.72 2.72 0.00 -1.07 -4.95 105.19 110.61 1sr3 n GLY 46 Ca 0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1sr3 n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sr3 n LYS 47 N 0.40 2.71 0.00 1.61 4.81 -1.02 -4.34 118.16 122.33 1sr3 n LYS 47 Ca 0.00 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1sr3 n LYS 47 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.25 1sr3 n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sr3 n ARG 48 N 3.53 0.00 0.00 1.64 1.74 -1.26 -1.91 116.66 120.40 1sr3 n ARG 48 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1sr3 n ARG 48 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1sr3 n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sr3 n GLU 49 N -0.72 0.00 -0.26 5.56 1.02 -1.26 -5.03 120.64 119.94 1sr3 n GLU 49 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sr3 n GLU 49 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1sr3 n GLU 49 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1sr3 n THR 50 N -1.57 0.00 0.14 2.62 5.66 -0.80 -4.80 114.28 115.54 1sr3 n THR 50 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1sr3 n THR 50 Cb 0.00 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 68.72 1sr3 n THR 50 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 1sr3 h GLN 51 N 0.00 -0.40 -2.54 1.09 3.07 -1.93 -3.47 115.11 110.92 1sr3 h GLN 51 Ca -0.02 0.03 0.10 0.00 0.09 0.00 0.00 58.65 58.85 1sr3 h GLN 51 Cb 0.48 0.09 -0.11 0.00 0.08 0.00 0.00 27.48 28.03 1sr3 h GLN 51 CO -0.01 -0.07 0.40 1.14 0.09 0.00 0.00 178.83 180.38 1sr3 s GLN 52 N -3.99 1.18 0.37 0.06 1.03 -1.26 -5.10 119.66 111.94 1sr3 s GLN 52 Ca -0.13 -0.56 0.08 0.00 0.04 0.00 0.00 55.36 54.80 1sr3 s GLN 52 Cb 0.01 0.46 -0.06 0.00 0.03 0.00 0.00 33.01 33.46 1sr3 s GLN 52 CO 0.46 -0.53 0.03 -1.64 -2.54 0.00 0.00 175.29 171.06 1sr3 s MET 53 N -3.42 2.04 0.96 9.60 -1.94 -1.26 -4.07 119.30 121.23 1sr3 s MET 53 Ca 0.08 -1.86 -0.14 0.00 -1.71 0.00 0.00 55.69 52.06 1sr3 s MET 53 Cb -0.02 -1.85 0.17 0.00 2.01 0.00 0.00 34.83 35.14 1sr3 s MET 53 CO -0.04 0.06 1.15 -1.25 -0.01 0.00 0.00 175.02 174.94 1sr3 s PRO 54 N -3.73 0.69 0.07 2.03 0.04 -1.26 -5.06 135.00 127.78 1sr3 s PRO 54 Ca 0.36 0.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.36 1sr3 s PRO 54 Cb 0.03 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 1sr3 s PRO 54 CO 0.19 -2.47 0.57 -1.21 0.04 0.00 0.00 177.00 174.12 1sr3 s GLU 55 N -5.36 4.22 0.00 4.56 2.02 -1.26 -4.98 118.70 117.90 1sr3 s GLU 55 Ca 0.66 0.74 0.27 0.00 0.02 0.00 0.00 54.97 56.66 1sr3 s GLU 55 Cb -0.13 -3.25 1.61 0.00 0.10 0.00 0.00 34.13 32.46 1sr3 s GLU 55 CO 0.54 0.61 1.98 0.28 0.02 0.00 0.00 175.26 178.69 1sr3 n VAL 56 N 1.82 0.00 -2.89 2.63 0.31 -1.26 -3.04 118.33 115.90 1sr3 n VAL 56 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1sr3 n VAL 56 Cb 0.51 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1sr3 n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sr3 n GLY 57 N 0.77 4.70 1.82 2.92 0.00 -1.26 -4.29 105.19 109.85 1sr3 n GLY 57 Ca 0.20 -2.33 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1sr3 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr3 n GLN 58 N -0.13 0.26 -4.14 1.61 10.64 -1.17 -5.03 117.38 119.41 1sr3 n GLN 58 Ca 0.28 -1.83 -0.35 0.00 -1.83 0.00 0.00 57.00 53.27 1sr3 n GLN 58 Cb 0.56 1.54 -0.08 0.00 -0.86 0.00 0.00 30.24 31.40 1sr3 n GLN 58 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1sr3 s ARG 59 N -2.71 3.17 0.37 2.61 3.03 -1.26 -1.79 118.95 122.36 1sr3 s ARG 59 Ca 0.22 -0.32 -0.08 0.00 2.03 0.00 0.00 55.73 57.58 1sr3 s ARG 59 Cb 0.01 -2.95 0.03 0.00 -1.03 0.00 0.00 34.95 31.01 1sr3 s ARG 59 CO 0.15 0.72 0.62 1.47 -1.13 0.00 0.00 175.30 177.13 1sr3 n LEU 60 N 1.90 0.00 -4.35 -1.89 -0.00 0.02 -4.98 117.00 107.70 1sr3 n LEU 60 Ca -0.18 -2.70 -0.26 0.00 -0.00 0.00 0.00 56.01 52.87 1sr3 n LEU 60 Cb 0.54 3.10 -0.12 0.00 -0.00 0.00 0.00 43.42 46.94 1sr3 n LEU 60 CO 0.31 -0.74 -0.53 -0.13 -0.00 0.00 0.00 177.39 176.30 1sr3 s ARG 61 N -2.47 1.30 -0.14 1.47 0.52 -1.26 -1.71 118.95 116.66 1sr3 s ARG 61 Ca 0.23 -1.32 -0.07 0.00 -0.52 0.00 0.00 55.73 54.05 1sr3 s ARG 61 Cb -0.03 -1.61 0.06 0.00 0.52 0.00 0.00 34.95 33.88 1sr3 s ARG 61 CO 0.17 0.37 0.33 0.54 0.02 0.00 0.00 175.30 176.72 1sr3 s VAL 62 N -1.36 -0.10 0.16 3.52 0.11 0.08 -0.65 120.40 122.16 1sr3 s VAL 62 Ca 0.13 0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 1sr3 s VAL 62 Cb -0.09 -0.50 -0.08 0.00 -1.53 0.00 0.00 36.38 34.18 1sr3 s VAL 62 CO 0.06 0.06 0.71 -0.83 -3.33 0.00 0.00 175.10 171.77 1sr3 s GLY 63 N 1.50 2.76 -0.01 6.54 0.00 -0.79 0.59 107.32 117.91 1sr3 s GLY 63 Ca -0.08 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.57 1sr3 s GLY 63 CO -0.11 0.66 1.28 -0.32 0.00 0.00 0.00 173.10 174.62 1sr3 s GLY 64 N -1.31 -0.18 -0.19 0.20 0.00 -0.85 -3.82 107.32 101.18 1sr3 s GLY 64 Ca 0.37 0.16 -0.08 0.00 0.00 0.00 0.00 44.72 45.16 1sr3 s GLY 64 CO 0.23 4.47 0.09 -0.29 0.00 0.00 0.00 173.10 177.60 1sr3 s MET 65 N -2.09 4.05 0.18 2.90 1.75 -0.42 -0.67 119.30 125.00 1sr3 s MET 65 Ca 0.26 -0.30 -0.31 0.00 -1.25 0.00 0.00 55.69 54.10 1sr3 s MET 65 Cb 0.01 -3.29 -0.09 0.00 2.84 0.00 0.00 34.83 34.29 1sr3 s MET 65 CO -0.01 0.27 1.44 0.08 -0.65 0.00 0.00 175.02 176.15 1sr3 s VAL 66 N 0.39 2.93 0.23 10.11 1.01 -0.76 -0.62 120.40 133.69 1sr3 s VAL 66 Ca 0.05 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 1sr3 s VAL 66 Cb -0.12 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 1sr3 s VAL 66 CO -0.00 0.08 1.58 -0.04 0.00 0.00 0.00 175.10 176.72 1sr3 s MET 67 N 0.50 4.18 0.19 2.72 -1.94 -0.29 -2.98 119.30 121.67 1sr3 s MET 67 Ca 0.63 2.47 -0.31 0.00 -1.71 0.00 0.00 55.69 56.77 1sr3 s MET 67 Cb -0.40 -3.09 -0.10 0.00 2.01 0.00 0.00 34.83 33.25 1sr3 s MET 67 CO 0.35 -0.61 1.55 -1.25 -0.01 0.00 0.00 175.02 175.06 1sr3 s PRO 68 N 0.33 4.22 -1.60 2.03 0.05 -1.26 -2.22 135.00 136.55 1sr3 s PRO 68 Ca 0.67 2.37 0.00 0.00 0.05 0.00 0.00 61.00 64.09 1sr3 s PRO 68 Cb -0.46 -3.13 0.00 0.00 0.05 0.00 0.00 34.50 30.96 1sr3 s PRO 68 CO 0.39 -0.58 0.00 0.41 0.05 0.00 0.00 177.00 177.27 1sr3 n GLY 69 N 3.36 -0.21 0.00 0.56 0.00 -1.26 -4.92 105.19 102.72 1sr3 n GLY 69 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sr3 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sr3 n SER 70 N -1.46 0.00 -3.89 1.61 3.41 -0.94 -4.95 113.62 107.39 1sr3 n SER 70 Ca -0.22 0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.43 1sr3 n SER 70 Cb 0.66 -0.28 -0.17 0.00 -0.26 0.00 0.00 64.21 64.16 1sr3 n SER 70 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1sr3 n VAL 71 N -1.56 0.00 -2.62 -3.33 3.14 -1.24 -4.79 118.33 107.93 1sr3 n VAL 71 Ca 0.00 -0.44 -0.41 0.00 -2.96 0.00 0.00 64.34 60.53 1sr3 n VAL 71 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1sr3 n VAL 71 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1sr3 s GLN 72 N 5.86 4.71 -0.04 1.45 0.74 -0.02 -4.95 119.66 127.41 1sr3 s GLN 72 Ca 0.95 1.61 0.00 0.00 0.05 0.00 0.00 55.36 57.97 1sr3 s GLN 72 Cb -0.61 -3.28 0.03 0.00 1.10 0.00 0.00 33.01 30.25 1sr3 s GLN 72 CO 0.41 0.28 -0.01 1.03 -0.55 0.00 0.00 175.29 176.45 1sr3 s ARG 73 N -0.79 0.44 -0.56 1.67 0.52 -1.26 -1.47 118.95 117.50 1sr3 s ARG 73 Ca 0.45 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.59 1sr3 s ARG 73 Cb -0.28 -0.62 0.14 0.00 0.52 0.00 0.00 34.95 34.71 1sr3 s ARG 73 CO 0.34 -0.15 0.47 0.34 0.02 0.00 0.00 175.30 176.32 1sr3 s ASP 74 N 1.16 6.03 0.28 0.23 -1.08 0.49 -4.90 116.67 118.87 1sr3 s ASP 74 Ca -0.08 -2.01 0.22 0.00 -0.52 0.00 0.00 52.55 50.16 1sr3 s ASP 74 Cb -0.13 -2.12 1.04 0.00 -1.46 0.00 0.00 42.92 40.25 1sr3 s ASP 74 CO -0.02 -0.73 1.67 -0.81 0.52 0.00 0.00 175.17 175.80 1sr3 n PRO 75 N 4.86 0.16 0.03 4.34 -0.04 -1.26 -0.94 135.00 142.15 1sr3 n PRO 75 Ca -0.07 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1sr3 n PRO 75 Cb 0.41 -1.90 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 1sr3 n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sr3 n ASN 76 N -2.22 0.61 0.00 3.54 3.02 -1.26 -4.50 115.26 114.45 1sr3 n ASN 76 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1sr3 n ASN 76 Cb 0.14 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1sr3 n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1sr3 n SER 77 N -1.85 0.31 0.00 6.41 7.64 -0.70 -5.00 113.62 120.43 1sr3 n SER 77 Ca 0.04 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1sr3 n SER 77 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1sr3 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sr3 n LEU 78 N -0.05 0.26 -4.65 -3.43 4.32 -0.12 -4.83 117.00 108.50 1sr3 n LEU 78 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1sr3 n LEU 78 Cb 0.31 -0.43 0.05 0.00 -1.62 0.00 0.00 43.42 41.73 1sr3 n LEU 78 CO 0.00 -0.13 0.67 0.29 -1.22 0.00 0.00 177.39 177.01 1sr3 n LYS 79 N -0.24 1.04 -4.13 3.23 4.76 -1.25 -1.03 118.16 120.54 1sr3 n LYS 79 Ca 0.00 0.40 -0.16 0.00 -2.87 0.00 0.00 58.31 55.68 1sr3 n LYS 79 Cb 0.00 -2.29 -0.12 0.00 -1.84 0.00 0.00 35.03 30.78 1sr3 n LYS 79 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sr3 s VAL 80 N -1.45 0.78 -0.10 -0.18 1.01 0.45 -0.38 120.40 120.54 1sr3 s VAL 80 Ca 0.77 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1sr3 s VAL 80 Cb -0.41 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1sr3 s VAL 80 CO 0.46 -0.26 -0.04 0.42 0.00 0.00 0.00 175.10 175.67 1sr3 s THR 81 N -1.22 0.77 0.20 3.92 -4.23 -0.54 -1.61 115.64 112.93 1sr3 s THR 81 Ca -0.05 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1sr3 s THR 81 Cb -0.09 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1sr3 s THR 81 CO 0.01 0.31 0.08 0.72 -0.54 0.00 0.00 174.62 175.21 1sr3 s PHE 82 N 1.81 1.23 0.08 3.99 -0.71 -0.41 -0.84 117.98 123.13 1sr3 s PHE 82 Ca 0.05 -1.22 0.09 0.00 -1.04 0.00 0.00 56.93 54.80 1sr3 s PHE 82 Cb -0.13 -0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 40.98 1sr3 s PHE 82 CO -0.07 -0.44 -0.23 0.99 -1.34 0.00 0.00 175.22 174.13 1sr3 s THR 83 N -3.92 1.89 -0.01 -4.49 2.01 -1.26 -0.24 115.64 109.62 1sr3 s THR 83 Ca 0.33 -1.45 0.05 0.00 0.31 0.00 0.00 61.69 60.93 1sr3 s THR 83 Cb 0.07 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1sr3 s THR 83 CO 0.09 0.13 -0.16 0.27 -0.69 0.00 0.00 174.62 174.27 1sr3 s ILE 84 N -0.96 1.24 0.26 1.82 -4.36 -0.33 -1.14 121.20 117.73 1sr3 s ILE 84 Ca 0.09 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.84 1sr3 s ILE 84 Cb -0.10 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1sr3 s ILE 84 CO 0.03 0.35 0.20 -0.72 0.24 0.00 0.00 174.94 175.05 1sr3 s TYR 85 N -0.36 1.44 0.00 1.37 1.13 0.20 -0.84 117.35 120.30 1sr3 s TYR 85 Ca 0.06 -1.51 0.00 0.00 -1.41 0.00 0.00 57.07 54.21 1sr3 s TYR 85 Cb -0.06 -0.63 0.00 0.00 -1.10 0.00 0.00 41.96 40.17 1sr3 s TYR 85 CO -0.01 -0.75 0.00 -3.47 -2.51 0.00 0.00 175.55 168.81 1sr3 n ASP 86 N -0.87 0.00 0.00 -0.18 -0.08 -0.93 -1.31 116.55 113.19 1sr3 n ASP 86 Ca 0.05 -0.89 0.07 0.00 -1.51 0.00 0.00 54.79 52.50 1sr3 n ASP 86 Cb 0.64 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.47 1sr3 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sr3 n ALA 87 N -3.00 1.85 -0.02 -1.67 0.00 -1.26 -3.87 120.51 112.54 1sr3 n ALA 87 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1sr3 n ALA 87 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1sr3 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sr3 n GLU 88 N -1.22 0.13 -0.44 0.00 -0.58 -1.26 -5.13 120.64 112.14 1sr3 n GLU 88 Ca 0.07 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1sr3 n GLU 88 Cb 0.09 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1sr3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sr3 n GLY 89 N 1.98 3.25 3.27 0.62 0.00 -1.25 -5.00 105.19 108.06 1sr3 n GLY 89 Ca -0.03 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1sr3 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sr3 s SER 90 N 0.78 -0.11 0.02 1.61 1.04 -1.24 -2.18 113.70 113.62 1sr3 s SER 90 Ca 0.00 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1sr3 s SER 90 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1sr3 s SER 90 CO 0.00 -0.76 -0.01 0.68 0.98 0.00 0.00 173.24 174.13 1sr3 s VAL 91 N -3.50 0.11 0.53 5.02 -7.23 -0.02 -4.98 120.40 110.33 1sr3 s VAL 91 Ca 0.02 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 1sr3 s VAL 91 Cb 0.02 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 1sr3 s VAL 91 CO -0.09 -0.49 0.93 -0.62 -0.31 0.00 0.00 175.10 174.51 1sr3 s ASP 92 N -1.48 6.39 -0.09 4.85 2.15 -0.12 -1.18 116.67 127.19 1sr3 s ASP 92 Ca -0.15 1.33 -0.01 0.00 0.43 0.00 0.00 52.55 54.15 1sr3 s ASP 92 Cb -0.09 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1sr3 s ASP 92 CO -0.01 -0.66 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.61 1sr3 s VAL 93 N -2.81 0.64 -0.23 1.11 1.01 0.67 -0.86 120.40 119.92 1sr3 s VAL 93 Ca 0.54 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1sr3 s VAL 93 Cb -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1sr3 s VAL 93 CO 0.42 0.30 0.54 -0.44 0.00 0.00 0.00 175.10 175.92 1sr3 s SER 94 N 1.78 6.52 0.43 3.32 0.01 -0.39 -1.29 113.70 124.08 1sr3 s SER 94 Ca 0.04 0.62 0.07 0.00 1.31 0.00 0.00 55.95 57.98 1sr3 s SER 94 Cb -0.13 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1sr3 s SER 94 CO -0.06 -0.26 0.16 -0.47 0.41 0.00 0.00 173.24 173.02 1sr3 s TYR 95 N 2.06 2.45 -0.30 2.43 5.04 -0.63 -0.87 117.35 127.52 1sr3 s TYR 95 Ca 0.23 -0.65 0.04 0.00 -2.44 0.00 0.00 57.07 54.25 1sr3 s TYR 95 Cb -0.16 -1.90 0.20 0.00 0.35 0.00 0.00 41.96 40.45 1sr3 s TYR 95 CO 0.09 0.18 0.66 -2.00 -1.34 0.00 0.00 175.55 173.14 1sr3 s GLU 96 N -3.90 0.52 0.00 4.97 -6.30 -1.26 -0.41 118.70 112.32 1sr3 s GLU 96 Ca 0.36 0.42 0.00 0.00 -2.50 0.00 0.00 54.97 53.26 1sr3 s GLU 96 Cb 0.04 0.21 0.00 0.00 0.00 0.00 0.00 34.13 34.38 1sr3 s GLU 96 CO 0.20 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1sr3 n GLY 97 N 5.28 -0.67 3.15 -1.50 0.00 -0.20 -4.89 105.19 106.35 1sr3 n GLY 97 Ca 0.06 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1sr3 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sr3 s ILE 98 N -4.00 4.07 0.20 -0.61 -1.09 -1.26 -4.76 121.20 113.75 1sr3 s ILE 98 Ca 0.00 -2.72 -0.32 0.00 -2.23 0.00 0.00 60.65 55.38 1sr3 s ILE 98 Cb 0.00 -3.63 -0.12 0.00 -1.58 0.00 0.00 42.46 37.13 1sr3 s ILE 98 CO 0.00 -0.88 1.71 -0.11 -1.23 0.00 0.00 174.94 174.43 1sr3 n LEU 99 N 3.76 3.93 -4.68 2.97 7.94 -1.26 -4.91 117.00 124.75 1sr3 n LEU 99 Ca 0.07 1.06 -0.43 0.00 -1.11 0.00 0.00 56.01 55.60 1sr3 n LEU 99 Cb 0.40 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.77 1sr3 n LEU 99 CO 0.34 0.14 0.90 -2.65 -1.11 0.00 0.00 177.39 175.02 1sr3 n PRO 100 N 3.91 2.02 0.02 1.96 -0.02 -1.26 -4.87 135.00 136.76 1sr3 n PRO 100 Ca 0.16 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.49 1sr3 n PRO 100 Cb 0.34 -2.30 0.58 0.00 -0.02 0.00 0.00 33.50 32.11 1sr3 n PRO 100 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1sr3 h ASP 101 N 3.03 0.19 0.47 2.55 3.58 -2.01 -0.69 116.42 123.53 1sr3 h ASP 101 Ca -0.45 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 1sr3 h ASP 101 Cb 1.29 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 1sr3 h ASP 101 CO 0.67 0.12 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.01 1sr3 h LEU 102 N 0.21 0.00 -9.59 2.28 4.07 -1.97 -3.43 115.31 106.88 1sr3 h LEU 102 Ca 0.21 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.64 1sr3 h LEU 102 Cb 0.54 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.31 1sr3 h LEU 102 CO -0.04 0.06 0.67 0.12 -1.08 0.00 0.00 178.44 178.18 1sr3 s PHE 103 N -4.03 3.28 0.21 1.13 2.19 -0.27 -4.90 117.98 115.59 1sr3 s PHE 103 Ca -0.02 1.11 -0.02 0.00 0.33 0.00 0.00 56.93 58.33 1sr3 s PHE 103 Cb 0.12 -3.61 -0.04 0.00 -1.31 0.00 0.00 43.02 38.18 1sr3 s PHE 103 CO 0.53 -2.03 0.16 1.03 1.83 0.00 0.00 175.22 176.74 1sr3 s ARG 104 N 0.60 1.25 -0.07 10.12 1.81 -1.26 -4.91 118.95 126.48 1sr3 s ARG 104 Ca 0.61 -1.61 -0.30 0.00 -1.72 0.00 0.00 55.73 52.71 1sr3 s ARG 104 Cb -0.36 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.40 1sr3 s ARG 104 CO 0.33 -0.42 1.31 -1.21 -0.68 0.00 0.00 175.30 174.63 1sr3 s GLU 105 N -4.12 4.28 0.00 3.54 8.01 -1.26 -3.72 118.70 125.43 1sr3 s GLU 105 Ca 0.38 1.79 0.00 0.00 0.01 0.00 0.00 54.97 57.15 1sr3 s GLU 105 Cb 0.06 -3.66 0.00 0.00 -4.31 0.00 0.00 34.13 26.22 1sr3 s GLU 105 CO 0.12 -0.60 0.00 0.41 0.01 0.00 0.00 175.26 175.21 1sr3 n GLY 106 N 3.58 0.98 3.53 -1.39 0.00 -1.16 -4.96 105.19 105.77 1sr3 n GLY 106 Ca 0.13 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1sr3 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sr3 s GLN 107 N -2.05 1.81 -0.17 1.61 -2.07 -1.24 -4.91 119.66 112.64 1sr3 s GLN 107 Ca 0.00 -2.04 -0.15 0.00 -1.82 0.00 0.00 55.36 51.35 1sr3 s GLN 107 Cb 0.00 -1.10 -0.04 0.00 -1.09 0.00 0.00 33.01 30.78 1sr3 s GLN 107 CO 0.00 -0.20 0.37 0.20 -1.32 0.00 0.00 175.29 174.33 1sr3 s GLY 108 N -3.59 2.19 0.41 2.60 0.00 -1.26 -1.83 107.32 105.83 1sr3 s GLY 108 Ca 0.32 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1sr3 s GLY 108 CO 0.15 0.65 0.08 -1.34 0.00 0.00 0.00 173.10 172.64 1sr3 s VAL 109 N 0.85 0.90 -0.01 1.40 -7.23 0.16 -4.29 120.40 112.17 1sr3 s VAL 109 Ca 0.19 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1sr3 s VAL 109 Cb -0.14 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1sr3 s VAL 109 CO 0.07 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.01 1sr3 s VAL 110 N -3.15 1.22 0.34 1.32 1.01 0.56 -2.00 120.40 119.70 1sr3 s VAL 110 Ca 0.24 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1sr3 s VAL 110 Cb 0.04 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1sr3 s VAL 110 CO 0.13 0.35 0.09 0.54 0.00 0.00 0.00 175.10 176.20 1sr3 s VAL 111 N -0.32 2.88 -0.21 2.92 0.11 0.20 -0.85 120.40 125.13 1sr3 s VAL 111 Ca 0.05 -1.81 -0.27 0.00 -2.93 0.00 0.00 61.98 57.02 1sr3 s VAL 111 Cb -0.06 -2.91 0.07 0.00 -1.53 0.00 0.00 36.38 31.95 1sr3 s VAL 111 CO -0.00 -0.19 0.72 -1.58 -3.33 0.00 0.00 175.10 170.71 1sr3 s GLN 112 N -3.79 0.89 0.00 1.54 0.74 -1.26 -0.74 119.66 117.04 1sr3 s GLN 112 Ca 0.36 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.54 1sr3 s GLN 112 Cb -0.02 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1sr3 s GLN 112 CO 0.21 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1sr3 n GLY 113 N 2.14 0.01 3.27 2.59 0.00 -0.70 0.37 105.19 112.88 1sr3 n GLY 113 Ca -0.15 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1sr3 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sr3 s GLU 114 N 0.00 1.11 0.06 1.61 8.01 0.21 -0.80 118.70 128.90 1sr3 s GLU 114 Ca 0.00 -1.37 -0.21 0.00 0.01 0.00 0.00 54.97 53.40 1sr3 s GLU 114 Cb 0.00 -0.93 -0.06 0.00 -4.31 0.00 0.00 34.13 28.83 1sr3 s GLU 114 CO 0.00 0.16 0.64 -1.17 0.01 0.00 0.00 175.26 174.90 1sr3 s LEU 115 N -2.80 4.49 0.00 1.80 0.20 -0.74 -0.03 118.68 121.60 1sr3 s LEU 115 Ca 0.14 1.32 0.00 0.00 0.69 0.00 0.00 54.13 56.27 1sr3 s LEU 115 Cb -0.03 -3.01 0.00 0.00 -0.43 0.00 0.00 46.19 42.72 1sr3 s LEU 115 CO 0.04 0.18 0.00 1.21 -0.29 0.00 0.00 176.35 177.48 1sr3 n GLU 116 N 2.15 0.00 -3.63 1.98 0.00 0.29 -4.54 120.64 116.89 1sr3 n GLU 116 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.08 1sr3 n GLU 116 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.93 1sr3 n GLU 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1sr3 s LYS 117 N 0.00 0.51 -1.75 5.31 1.02 -1.26 -4.78 119.74 118.79 1sr3 s LYS 117 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1sr3 s LYS 117 Cb 0.00 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1sr3 s LYS 117 CO 0.00 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1sr3 n GLY 118 N -0.40 0.77 3.03 -3.33 0.00 -1.26 -1.88 105.19 102.13 1sr3 n GLY 118 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1sr3 n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sr3 n ASN 119 N -1.43 -5.31 -3.94 1.61 5.03 -1.26 -4.82 115.26 105.14 1sr3 n ASN 119 Ca -0.19 -0.60 -0.23 0.00 0.87 0.00 0.00 54.58 54.42 1sr3 n ASN 119 Cb 0.62 -4.58 -0.17 0.00 -1.02 0.00 0.00 39.78 34.64 1sr3 n ASN 119 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1sr3 s HIS 120 N -3.33 1.16 -0.22 3.10 2.46 -0.79 -0.95 115.29 116.72 1sr3 s HIS 120 Ca 0.33 -0.43 -0.09 0.00 0.47 0.00 0.00 55.06 55.34 1sr3 s HIS 120 Cb -0.04 -0.93 -0.04 0.00 -0.13 0.00 0.00 32.58 31.43 1sr3 s HIS 120 CO 0.64 -0.29 0.10 0.42 -2.47 0.00 0.00 174.74 173.14 1sr3 s ILE 121 N 1.02 4.93 -1.18 0.89 -1.09 -0.04 -0.55 121.20 125.18 1sr3 s ILE 121 Ca -0.09 0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.16 1sr3 s ILE 121 Cb -0.14 -3.27 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1sr3 s ILE 121 CO -0.00 0.39 1.64 -0.76 -1.23 0.00 0.00 174.94 174.97 1sr3 s LEU 122 N 0.90 3.68 0.55 2.97 2.01 0.95 -1.26 118.68 128.48 1sr3 s LEU 122 Ca 0.05 -2.02 -0.20 0.00 0.01 0.00 0.00 54.13 51.98 1sr3 s LEU 122 Cb -0.13 -2.58 -0.07 0.00 0.01 0.00 0.00 46.19 43.42 1sr3 s LEU 122 CO 0.03 -1.38 0.90 0.00 1.01 0.00 0.00 176.35 176.90 1sr3 n ALA 123 N 8.86 -0.05 0.01 4.21 0.00 -0.05 -0.62 120.51 132.87 1sr3 n ALA 123 Ca 0.43 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.93 1sr3 n ALA 123 Cb 0.48 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 1sr3 n ALA 123 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sr3 n LYS 124 N -0.55 0.85 0.02 0.00 -0.00 0.16 -4.44 118.16 114.21 1sr3 n LYS 124 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1sr3 n LYS 124 Cb 0.45 -0.97 0.00 0.00 -0.00 0.00 0.00 35.03 34.51 1sr3 n LYS 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1sr3 n GLU 125 N -1.48 0.00 -1.88 -1.58 0.28 -1.24 -4.96 120.64 109.79 1sr3 n GLU 125 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1sr3 n GLU 125 Cb 0.03 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.90 1sr3 n GLU 125 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sr3 n VAL 126 N -2.66 -5.79 -4.10 3.84 0.31 -1.26 -4.79 118.33 103.87 1sr3 n VAL 126 Ca 0.00 2.67 -0.14 0.00 -0.01 0.00 0.00 64.34 66.86 1sr3 n VAL 126 Cb 0.00 -3.48 -0.12 0.00 -0.91 0.00 0.00 33.84 29.32 1sr3 n VAL 126 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sr3 s LEU 127 N -2.04 2.17 -0.45 7.52 1.43 -0.03 -4.63 118.68 122.64 1sr3 s LEU 127 Ca 0.00 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1sr3 s LEU 127 Cb 0.00 -0.20 0.53 0.00 0.03 0.00 0.00 46.19 46.54 1sr3 s LEU 127 CO 0.00 -0.11 1.73 0.00 0.23 0.00 0.00 176.35 178.20 1sr3 n ALA 128 N 1.98 5.42 -4.17 4.21 0.00 -1.26 -0.32 120.51 126.38 1sr3 n ALA 128 Ca -0.19 -3.29 -0.35 0.00 0.00 0.00 0.00 53.44 49.61 1sr3 n ALA 128 Cb 0.56 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1sr3 n ALA 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sr3 n LYS 129 N -1.01 -0.67 0.00 0.00 4.76 -1.26 -4.86 118.16 115.12 1sr3 n LYS 129 Ca 0.52 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1sr3 n LYS 129 Cb 1.08 -2.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1sr3 n LYS 129 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1sr3 n HIS 130 N -4.59 0.00 -3.60 2.13 1.44 -1.26 -5.05 115.22 104.29 1sr3 n HIS 130 Ca -0.23 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.38 1sr3 n HIS 130 Cb 0.61 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.62 1sr3 n HIS 130 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1sr3 s ASP 131 N -1.00 -0.01 0.21 4.39 1.01 -1.26 -5.15 116.67 114.85 1sr3 s ASP 131 Ca 0.00 0.75 -0.21 0.00 0.71 0.00 0.00 52.55 53.80 1sr3 s ASP 131 Cb 0.00 1.16 0.04 0.00 1.01 0.00 0.00 42.92 45.13 1sr3 s ASP 131 CO 0.00 -0.25 0.62 -1.61 0.21 0.00 0.00 175.17 174.14 1sr3 s GLU 132 N 2.56 1.47 0.32 8.23 0.41 -1.26 -5.11 118.70 125.31 1sr3 s GLU 132 Ca 0.02 -0.74 0.03 0.00 -0.41 0.00 0.00 54.97 53.87 1sr3 s GLU 132 Cb -0.13 0.58 -0.04 0.00 -1.78 0.00 0.00 34.13 32.76 1sr3 s GLU 132 CO -0.12 -0.65 0.13 0.54 -0.49 0.00 0.00 175.26 174.67 1sr3 s ASN 133 N -2.84 1.84 -0.19 -0.19 6.03 -1.26 -5.14 114.94 113.18 1sr3 s ASN 133 Ca 0.06 -1.53 0.01 0.00 -1.03 0.00 0.00 52.86 50.37 1sr3 s ASN 133 Cb -0.03 0.32 0.02 0.00 -3.03 0.00 0.00 41.25 38.53 1sr3 s ASN 133 CO -0.04 -0.84 -0.18 -0.47 -2.03 0.00 0.00 177.10 173.55 1sr3 s TYR 134 N -3.51 2.86 -0.13 1.54 5.04 -1.26 -5.09 117.35 116.79 1sr3 s TYR 134 Ca 0.34 -1.70 -0.29 0.00 -2.44 0.00 0.00 57.07 52.98 1sr3 s TYR 134 Cb 0.05 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 1sr3 s TYR 134 CO 0.16 -0.80 1.05 0.99 -1.34 0.00 0.00 175.55 175.61 1sr3 s THR 135 N 1.28 4.67 1.02 4.34 2.01 -1.26 -5.08 115.64 122.62 1sr3 s THR 135 Ca 0.03 1.96 -0.17 0.00 0.31 0.00 0.00 61.69 63.82 1sr3 s THR 135 Cb -0.14 -4.26 0.25 0.00 0.01 0.00 0.00 72.50 68.36 1sr3 s THR 135 CO -0.11 -0.05 0.90 -0.81 -0.69 0.00 0.00 174.62 173.86 1sr3 n PRO 136 N 5.42 -2.80 -1.82 4.92 -0.04 -1.26 -5.08 135.00 134.34 1sr3 n PRO 136 Ca 0.10 -1.44 -0.28 0.00 -0.04 0.00 0.00 63.50 61.84 1sr3 n PRO 136 Cb 0.48 -1.36 0.20 0.00 -0.04 0.00 0.00 33.50 32.78 1sr3 n PRO 136 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1sr3 n PRO 137 N -4.28 -1.24 -3.56 0.54 -0.04 -1.26 -4.59 135.00 120.58 1sr3 n PRO 137 Ca 0.13 -1.97 -0.23 0.00 -0.04 0.00 0.00 63.50 61.39 1sr3 n PRO 137 Cb 0.49 -1.31 0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1sr3 n PRO 137 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sr3 n GLU 138 N -3.69 -1.32 0.00 0.54 1.02 -1.26 -4.87 120.64 111.05 1sr3 n GLU 138 Ca 0.16 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1sr3 n GLU 138 Cb 0.55 -4.11 0.00 0.00 -0.02 0.00 0.00 31.44 27.86 1sr3 n GLU 138 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1sr3 n VAL 139 N -3.29 0.00 0.00 2.62 3.14 -1.26 -4.98 118.33 114.56 1sr3 n VAL 139 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1sr3 n VAL 139 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 1sr3 n VAL 139 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1sr3 n GLU 140 N -0.84 0.00 -3.95 1.45 2.13 -1.26 -4.77 120.64 113.40 1sr3 n GLU 140 Ca 0.00 0.46 -0.10 0.00 0.66 0.00 0.00 57.16 58.18 1sr3 n GLU 140 Cb 0.00 -1.44 -0.10 0.00 0.27 0.00 0.00 31.44 30.16 1sr3 n GLU 140 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1sr3 s LYS 141 N -2.77 0.40 -0.34 5.31 2.36 -1.26 -4.91 119.74 118.53 1sr3 s LYS 141 Ca 0.00 -0.60 0.00 0.00 -2.55 0.00 0.00 55.97 52.82 1sr3 s LYS 141 Cb 0.00 0.15 0.00 0.00 -1.05 0.00 0.00 37.83 36.93 1sr3 s LYS 141 CO 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 175.35 176.82 1sr3 n ALA 142 N 1.41 -0.09 0.05 3.13 0.00 -1.26 -4.96 120.51 118.79 1sr3 n ALA 142 Ca -0.23 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sr3 n ALA 142 Cb 0.56 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 19.24 1sr3 n ALA 142 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17