#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwp s SER 29 N 0.00 6.82 -0.01 4.52 0.15 -1.26 -5.04 113.70 118.88 2wwp s SER 29 Ca 0.00 2.52 0.04 0.00 0.70 0.00 0.00 55.95 59.22 2wwp s SER 29 Cb 0.00 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2wwp s SER 29 CO 0.00 -0.56 -0.13 -0.69 1.20 0.00 0.00 173.24 173.06 2wwp s VAL 30 N -0.19 3.15 -0.21 4.45 1.01 -1.26 -4.21 120.40 123.14 2wwp s VAL 30 Ca 0.56 -0.87 -0.38 0.00 0.00 0.00 0.00 61.98 61.29 2wwp s VAL 30 Cb -0.38 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 2wwp s VAL 30 CO 0.42 0.46 1.82 1.67 0.00 0.00 0.00 175.10 179.48 2wwp n GLN 31 N 1.88 1.57 -1.87 2.72 -0.06 0.18 -4.89 117.38 116.91 2wwp n GLN 31 Ca -0.16 0.57 -0.38 0.00 -2.00 0.00 0.00 57.00 55.03 2wwp n GLN 31 Cb 0.52 -2.34 0.03 0.00 -4.06 0.00 0.00 30.24 24.40 2wwp n GLN 31 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2wwp s PRO 32 N 3.89 3.21 -1.46 3.69 0.02 -1.26 -3.08 135.00 140.00 2wwp s PRO 32 Ca 0.97 2.14 -0.07 0.00 0.02 0.00 0.00 61.00 64.05 2wwp s PRO 32 Cb -0.91 -2.25 0.05 0.00 0.02 0.00 0.00 34.50 31.40 2wwp s PRO 32 CO 0.60 -1.10 0.70 -1.71 -0.33 0.00 0.00 177.00 175.16 2wwp n ASN 33 N -0.99 -2.19 -4.73 2.53 5.15 -1.26 -4.85 115.26 108.92 2wwp n ASN 33 Ca 0.10 -0.90 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 2wwp n ASN 33 Cb 0.46 -3.48 -0.03 0.00 -0.53 0.00 0.00 39.78 36.20 2wwp n ASN 33 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2wwp s PHE 34 N -3.61 2.94 -0.63 1.20 5.36 -1.18 -4.97 117.98 117.10 2wwp s PHE 34 Ca 0.30 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 2wwp s PHE 34 Cb -0.15 -3.99 0.16 0.00 -0.34 0.00 0.00 43.02 38.70 2wwp s PHE 34 CO 0.86 -3.52 0.43 -0.65 -1.46 0.00 0.00 175.22 170.88 2wwp s GLN 35 N 0.45 2.50 0.38 10.12 -1.52 -1.26 -4.88 119.66 125.45 2wwp s GLN 35 Ca 0.67 -2.62 0.09 0.00 -1.95 0.00 0.00 55.36 51.55 2wwp s GLN 35 Cb -0.46 -3.66 0.84 0.00 -0.22 0.00 0.00 33.01 29.50 2wwp s GLN 35 CO 0.38 -1.17 1.93 0.37 -0.25 0.00 0.00 175.29 176.55 2wwp h GLN 36 N 6.82 0.63 -0.23 2.91 4.15 -1.99 -1.38 115.11 126.03 2wwp h GLN 36 Ca -0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2wwp h GLN 36 Cb 0.93 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2wwp h GLN 36 CO 0.71 0.42 -0.13 0.38 -1.93 0.00 0.00 178.83 178.29 2wwp h ASP 37 N 0.65 0.36 1.38 -0.69 2.03 -1.99 -1.73 116.42 116.44 2wwp h ASP 37 Ca 0.35 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2wwp h ASP 37 Cb 0.48 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2wwp h ASP 37 CO -0.13 0.53 0.00 0.11 -1.03 0.00 0.00 179.24 178.72 2wwp h LYS 38 N 0.36 0.00 0.00 4.15 1.57 -1.69 -3.05 116.57 117.91 2wwp h LYS 38 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wwp h LYS 38 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2wwp h LYS 38 CO 0.03 0.00 -0.29 0.34 -0.57 0.00 0.00 179.45 178.96 2wwp n PHE 39 N -2.50 0.34 -1.03 -1.35 7.35 -0.66 -4.81 117.46 114.80 2wwp n PHE 39 Ca 0.04 0.10 -0.30 0.00 -0.76 0.00 0.00 57.45 56.53 2wwp n PHE 39 Cb 0.40 -0.57 0.15 0.00 0.35 0.00 0.00 39.48 39.81 2wwp n PHE 39 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2wwp s LEU 40 N -3.63 2.31 0.00 -2.13 1.43 -1.15 -4.85 118.68 110.67 2wwp s LEU 40 Ca 0.11 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2wwp s LEU 40 Cb 0.16 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2wwp s LEU 40 CO 0.64 -2.84 0.00 0.61 0.23 0.00 0.00 176.35 174.99 2wwp n GLY 41 N -0.63 -0.97 3.68 -3.19 0.00 -0.03 -4.90 105.19 99.15 2wwp n GLY 41 Ca 0.08 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2wwp n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wwp s ARG 42 N 0.00 4.38 0.20 1.61 3.52 -1.26 -1.00 118.95 126.41 2wwp s ARG 42 Ca 0.00 1.19 0.05 0.00 -0.13 0.00 0.00 55.73 56.84 2wwp s ARG 42 Cb 0.00 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2wwp s ARG 42 CO 0.00 -0.26 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.57 2wwp s TRP 43 N 1.87 1.54 -0.08 5.12 0.52 0.67 -4.75 118.94 123.84 2wwp s TRP 43 Ca 0.43 -0.77 0.02 0.00 0.02 0.00 0.00 56.10 55.81 2wwp s TRP 43 Cb -0.18 -0.82 0.01 0.00 -1.15 0.00 0.00 33.47 31.33 2wwp s TRP 43 CO 0.16 0.13 -0.15 -0.06 0.02 0.00 0.00 176.95 177.05 2wwp s PHE 44 N -3.24 1.75 -0.43 -1.98 0.08 0.90 -0.43 117.98 114.62 2wwp s PHE 44 Ca 0.23 -0.70 -0.29 0.00 0.12 0.00 0.00 56.93 56.30 2wwp s PHE 44 Cb 0.03 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2wwp s PHE 44 CO 0.06 -0.34 1.40 -1.54 -0.10 0.00 0.00 175.22 174.70 2wwp s SER 45 N 0.67 6.33 -0.01 1.36 1.04 -0.47 -1.12 113.70 121.51 2wwp s SER 45 Ca -0.14 0.76 0.15 0.00 0.48 0.00 0.00 55.95 57.20 2wwp s SER 45 Cb -0.16 -2.54 -0.21 0.00 0.10 0.00 0.00 66.02 63.21 2wwp s SER 45 CO 0.04 -1.45 0.44 0.00 0.98 0.00 0.00 173.24 173.24 2wwp n ALA 46 N 8.85 3.03 -3.51 5.32 0.00 -0.10 -3.81 120.51 130.29 2wwp n ALA 46 Ca 0.16 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 2wwp n ALA 46 Cb 0.48 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 2wwp n ALA 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wwp s GLY 47 N -3.30 -0.46 0.07 0.00 0.00 -1.20 -0.70 107.32 101.73 2wwp s GLY 47 Ca -0.02 1.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.57 2wwp s GLY 47 CO 0.63 0.35 0.42 0.48 0.00 0.00 0.00 173.10 174.98 2wwp s LEU 48 N -2.45 0.35 -0.01 0.66 0.05 0.64 -1.28 118.68 116.63 2wwp s LEU 48 Ca 0.05 -0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.15 2wwp s LEU 48 Cb -0.01 1.82 0.00 0.00 -2.05 0.00 0.00 46.19 45.95 2wwp s LEU 48 CO -0.09 -0.73 -0.03 0.00 -0.55 0.00 0.00 176.35 174.95 2wwp s ALA 49 N -2.93 0.32 0.07 1.48 0.00 -0.37 0.07 121.76 120.41 2wwp s ALA 49 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 2wwp s ALA 49 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2wwp s ALA 49 CO -0.06 0.05 0.30 0.45 0.00 0.00 0.00 175.76 176.51 2wwp s SER 50 N 0.10 -0.10 -0.10 0.00 0.15 -1.25 -0.34 113.70 112.17 2wwp s SER 50 Ca -0.01 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.44 2wwp s SER 50 Cb -0.04 0.38 0.48 0.00 -1.71 0.00 0.00 66.02 65.13 2wwp s SER 50 CO -0.00 -0.68 1.29 -0.46 1.20 0.00 0.00 173.24 174.59 2wwp n ASN 51 N 0.30 3.50 -4.09 5.45 6.94 -1.07 -4.76 115.26 121.53 2wwp n ASN 51 Ca -0.17 -2.41 -0.33 0.00 -0.02 0.00 0.00 54.58 51.65 2wwp n ASN 51 Cb 0.61 -0.52 -0.15 0.00 -2.36 0.00 0.00 39.78 37.35 2wwp n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2wwp s SER 52 N -0.63 4.44 0.15 0.53 0.15 -1.26 -4.95 113.70 112.12 2wwp s SER 52 Ca 0.33 -1.33 -0.18 0.00 0.70 0.00 0.00 55.95 55.47 2wwp s SER 52 Cb 0.23 -1.57 0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2wwp s SER 52 CO 0.13 -0.19 1.70 0.77 1.20 0.00 0.00 173.24 176.85 2wwp h SER 53 N 7.82 -0.19 -0.44 5.45 4.64 -2.02 -2.78 113.55 126.02 2wwp h SER 53 Ca -0.21 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2wwp h SER 53 Cb 1.05 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2wwp h SER 53 CO 0.48 -0.06 0.04 4.11 -0.87 0.00 0.00 176.83 180.53 2wwp h TRP 54 N 0.04 0.88 -0.46 4.77 5.08 -1.99 -3.52 115.95 120.75 2wwp h TRP 54 Ca 0.14 -0.11 -0.18 0.00 1.08 0.00 0.00 58.89 59.82 2wwp h TRP 54 Cb 0.20 -0.24 -0.03 0.00 -3.00 0.00 0.00 29.16 26.09 2wwp h TRP 54 CO -0.25 0.78 0.51 -0.51 -1.28 0.00 0.00 178.44 177.69 2wwp s LEU 55 N -9.23 2.92 0.00 0.11 1.43 -1.06 -5.24 118.68 107.61 2wwp s LEU 55 Ca -0.10 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2wwp s LEU 55 Cb 0.15 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.80 2wwp s LEU 55 CO 0.81 -3.46 0.00 0.18 0.23 0.00 0.00 176.35 174.11 2wwp n LEU 62 N 16.28 0.00 -4.32 1.79 4.77 -1.26 -5.12 117.00 129.14 2wwp n LEU 62 Ca 0.43 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 2wwp n LEU 62 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2wwp n LEU 62 CO 0.60 0.00 -0.28 -0.94 -1.33 0.00 0.00 177.39 175.44 2wwp s SER 63 N -3.37 1.36 0.30 -1.43 1.04 -1.26 -4.67 113.70 105.67 2wwp s SER 63 Ca 0.00 -1.33 -0.29 0.00 0.48 0.00 0.00 55.95 54.81 2wwp s SER 63 Cb 0.00 0.12 -0.10 0.00 0.10 0.00 0.00 66.02 66.13 2wwp s SER 63 CO 0.00 -0.67 1.39 -0.32 0.98 0.00 0.00 173.24 174.63 2wwp s MET 64 N -3.98 4.28 0.11 4.02 1.75 -0.41 -4.84 119.30 120.22 2wwp s MET 64 Ca 0.34 2.31 0.10 0.00 -1.25 0.00 0.00 55.69 57.19 2wwp s MET 64 Cb 0.07 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.63 2wwp s MET 64 CO 0.12 -0.35 -0.24 0.00 -0.65 0.00 0.00 175.02 173.90 2wwp s LYS 66 N -1.95 4.47 -0.02 0.00 2.20 -1.25 -1.36 119.74 121.81 2wwp s LYS 66 Ca 0.11 1.00 0.07 0.00 -0.36 0.00 0.00 55.97 56.79 2wwp s LYS 66 Cb -0.10 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2wwp s LYS 66 CO 0.05 0.21 -0.22 -1.12 -0.36 0.00 0.00 175.35 173.91 2wwp s SER 67 N 0.24 2.63 -0.15 1.43 0.01 0.43 -2.01 113.70 116.28 2wwp s SER 67 Ca 0.38 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2wwp s SER 67 Cb -0.19 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2wwp s SER 67 CO 0.21 0.27 -0.18 -0.69 0.41 0.00 0.00 173.24 173.26 2wwp s VAL 68 N -0.47 2.45 -0.24 3.43 1.01 0.15 -0.24 120.40 126.49 2wwp s VAL 68 Ca 0.07 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2wwp s VAL 68 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2wwp s VAL 68 CO -0.00 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.03 2wwp s VAL 69 N 0.82 4.65 0.09 2.92 1.01 -0.17 -0.65 120.40 129.07 2wwp s VAL 69 Ca -0.06 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2wwp s VAL 69 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2wwp s VAL 69 CO -0.01 0.34 -0.11 0.00 0.00 0.00 0.00 175.10 175.33 2wwp s ALA 70 N 1.39 1.12 0.32 5.51 0.00 -0.38 -0.85 121.76 128.87 2wwp s ALA 70 Ca 0.06 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 2wwp s ALA 70 Cb -0.15 0.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.87 2wwp s ALA 70 CO 0.05 -0.00 1.45 -2.14 0.00 0.00 0.00 175.76 175.11 2wwp s PRO 71 N -2.59 4.21 0.18 0.00 0.02 -1.26 0.25 135.00 135.80 2wwp s PRO 71 Ca 0.04 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 2wwp s PRO 71 Cb -0.04 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 2wwp s PRO 71 CO 0.01 -0.43 0.37 0.00 -0.33 0.00 0.00 177.00 176.61 2wwp s ALA 72 N -0.71 3.85 0.51 -1.55 0.00 -0.36 -4.55 121.76 118.95 2wwp s ALA 72 Ca 0.55 -0.80 0.25 0.00 0.00 0.00 0.00 51.96 51.95 2wwp s ALA 72 Cb -0.44 -1.99 1.35 0.00 0.00 0.00 0.00 23.12 22.05 2wwp s ALA 72 CO 0.54 0.51 1.96 1.15 0.00 0.00 0.00 175.76 179.92 2wwp h THR 73 N 1.67 0.71 -0.06 0.00 2.02 -1.95 -1.18 112.91 114.11 2wwp h THR 73 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2wwp h THR 73 Cb 1.18 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2wwp h THR 73 CO 0.69 0.01 0.00 -0.90 0.37 0.00 0.00 175.52 175.70 2wwp n ASP 74 N -4.38 0.35 0.00 4.18 5.75 -1.26 -4.86 116.55 116.33 2wwp n ASP 74 Ca 0.12 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2wwp n ASP 74 Cb 0.67 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2wwp n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wwp n GLY 75 N 0.63 1.56 0.00 6.12 0.00 -0.45 -4.73 105.19 108.32 2wwp n GLY 75 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wwp n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwp n GLY 76 N -2.00 1.44 3.07 -0.02 0.00 -1.25 -4.82 105.19 101.61 2wwp n GLY 76 Ca 0.00 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 2wwp n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wwp s LEU 77 N 0.00 2.07 -0.27 0.99 1.43 -0.35 -1.23 118.68 121.32 2wwp s LEU 77 Ca 0.00 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2wwp s LEU 77 Cb 0.00 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 2wwp s LEU 77 CO 0.00 0.08 0.19 0.20 0.23 0.00 0.00 176.35 177.05 2wwp s ASN 78 N -0.54 6.05 -0.39 2.29 0.01 0.14 -0.36 114.94 122.13 2wwp s ASN 78 Ca 0.03 0.02 -0.08 0.00 -0.71 0.00 0.00 52.86 52.12 2wwp s ASN 78 Cb -0.05 -2.12 0.07 0.00 0.41 0.00 0.00 41.25 39.56 2wwp s ASN 78 CO 0.00 -0.02 0.21 -0.22 -1.51 0.00 0.00 177.10 175.56 2wwp s LEU 79 N 1.60 4.91 -0.27 0.60 2.96 0.15 -1.25 118.68 127.39 2wwp s LEU 79 Ca 0.07 -1.41 -0.07 0.00 -0.22 0.00 0.00 54.13 52.51 2wwp s LEU 79 Cb -0.15 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2wwp s LEU 79 CO 0.09 -0.47 0.07 -0.89 -1.32 0.00 0.00 176.35 173.83 2wwp s THR 80 N 1.41 4.12 0.13 3.68 2.01 0.18 -1.05 115.64 126.12 2wwp s THR 80 Ca 0.02 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2wwp s THR 80 Cb -0.22 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2wwp s THR 80 CO 0.02 0.24 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.61 2wwp s SER 81 N 1.56 4.08 0.07 3.53 0.01 0.60 0.33 113.70 123.88 2wwp s SER 81 Ca 0.05 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.85 2wwp s SER 81 Cb -0.16 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2wwp s SER 81 CO 0.03 0.16 -0.18 0.42 0.41 0.00 0.00 173.24 174.07 2wwp s THR 82 N -1.29 1.48 0.05 1.44 -4.23 -0.85 -0.44 115.64 111.80 2wwp s THR 82 Ca 0.20 -1.34 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 2wwp s THR 82 Cb -0.10 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 2wwp s THR 82 CO 0.12 -0.03 0.10 0.72 -0.54 0.00 0.00 174.62 175.00 2wwp s PHE 83 N -1.06 0.22 -0.09 3.99 -0.12 -0.69 -3.96 117.98 116.29 2wwp s PHE 83 Ca 0.04 -0.58 -0.20 0.00 -0.05 0.00 0.00 56.93 56.15 2wwp s PHE 83 Cb -0.09 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2wwp s PHE 83 CO 0.03 -0.41 0.55 -0.48 -0.05 0.00 0.00 175.22 174.86 2wwp s LEU 84 N -2.37 4.31 -0.08 -1.99 0.05 -1.26 -0.25 118.68 117.09 2wwp s LEU 84 Ca -0.01 0.96 -0.01 0.00 0.05 0.00 0.00 54.13 55.11 2wwp s LEU 84 Cb 0.01 -2.82 0.03 0.00 -2.05 0.00 0.00 46.19 41.36 2wwp s LEU 84 CO -0.06 -0.01 -0.02 -0.60 -0.55 0.00 0.00 176.35 175.11 2wwp s ARG 85 N 0.52 0.82 4.71 1.48 3.52 0.38 -4.95 118.95 125.42 2wwp s ARG 85 Ca 0.29 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 2wwp s ARG 85 Cb -0.16 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 2wwp s ARG 85 CO 0.13 -0.28 0.00 1.63 -0.81 0.00 0.00 175.30 175.97 2wwp n LYS 86 N 5.03 0.00 -0.28 5.12 5.02 -1.26 -1.36 118.16 130.44 2wwp n LYS 86 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2wwp n LYS 86 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.75 2wwp n LYS 86 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wwp n ASN 87 N 9.08 3.47 -4.19 4.39 3.02 -1.26 -4.99 115.26 124.78 2wwp n ASN 87 Ca 0.00 -2.00 -0.19 0.00 -0.03 0.00 0.00 54.58 52.37 2wwp n ASN 87 Cb 0.00 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 38.69 2wwp n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wwp s GLN 88 N -1.01 0.88 -0.38 3.52 -2.07 -0.46 -5.11 119.66 115.02 2wwp s GLN 88 Ca 0.37 -1.02 -0.12 0.00 -1.82 0.00 0.00 55.36 52.77 2wwp s GLN 88 Cb 0.19 -0.88 0.03 0.00 -1.09 0.00 0.00 33.01 31.26 2wwp s GLN 88 CO 0.25 0.19 0.23 0.00 -1.32 0.00 0.00 175.29 174.64 2wwp s GLU 90 N 1.57 4.23 -0.08 0.00 0.41 0.66 -4.88 118.70 120.60 2wwp s GLU 90 Ca 0.02 1.10 0.03 0.00 -0.41 0.00 0.00 54.97 55.72 2wwp s GLU 90 Cb -0.19 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 2wwp s GLU 90 CO 0.07 -0.02 -0.18 0.99 -0.49 0.00 0.00 175.26 175.63 2wwp s THR 91 N -2.16 1.61 0.04 3.63 2.01 -1.26 -1.70 115.64 117.81 2wwp s THR 91 Ca 0.61 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.91 2wwp s THR 91 Cb -0.09 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2wwp s THR 91 CO 0.13 0.46 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.23 2wwp s ARG 92 N 0.43 1.12 -0.08 4.92 1.81 0.42 -4.99 118.95 122.58 2wwp s ARG 92 Ca -0.15 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.05 2wwp s ARG 92 Cb -0.16 -1.18 0.01 0.00 -0.45 0.00 0.00 34.95 33.17 2wwp s ARG 92 CO 0.06 0.30 -0.13 0.99 -0.68 0.00 0.00 175.30 175.83 2wwp s THR 93 N -0.82 1.27 -0.12 0.02 2.01 -1.26 -0.29 115.64 116.45 2wwp s THR 93 Ca 0.04 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2wwp s THR 93 Cb -0.08 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 2wwp s THR 93 CO 0.01 0.39 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.17 2wwp s MET 94 N 0.82 3.27 -0.33 4.92 -1.94 -0.21 -4.95 119.30 120.88 2wwp s MET 94 Ca -0.11 -0.68 -0.17 0.00 -1.71 0.00 0.00 55.69 53.02 2wwp s MET 94 Cb -0.15 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 2wwp s MET 94 CO 0.02 0.28 0.46 -1.17 -0.01 0.00 0.00 175.02 174.60 2wwp s LEU 95 N 0.18 4.29 -0.49 -0.03 2.96 -1.26 -0.67 118.68 123.66 2wwp s LEU 95 Ca -0.07 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2wwp s LEU 95 Cb -0.15 -2.52 0.08 0.00 0.50 0.00 0.00 46.19 44.09 2wwp s LEU 95 CO 0.05 -0.39 0.47 -0.76 -1.32 0.00 0.00 176.35 174.40 2wwp s LEU 96 N 2.27 5.55 0.21 -0.68 1.43 0.51 -4.50 118.68 123.47 2wwp s LEU 96 Ca 0.17 -1.30 -0.27 0.00 -1.03 0.00 0.00 54.13 51.70 2wwp s LEU 96 Cb -0.16 -2.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 2wwp s LEU 96 CO 0.12 -0.74 0.86 -1.10 0.23 0.00 0.00 176.35 175.72 2wwp s GLN 97 N 1.88 4.68 0.29 1.70 -0.21 0.20 -1.22 119.66 126.98 2wwp s GLN 97 Ca 0.06 1.30 -0.29 0.00 0.02 0.00 0.00 55.36 56.45 2wwp s GLN 97 Cb -0.24 -3.21 -0.13 0.00 1.00 0.00 0.00 33.01 30.43 2wwp s GLN 97 CO 0.07 0.52 1.33 -2.30 -2.12 0.00 0.00 175.29 172.79 2wwp n PRO 98 N 1.41 2.05 -0.35 2.91 -0.02 -1.26 -0.58 135.00 139.15 2wwp n PRO 98 Ca -0.03 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2wwp n PRO 98 Cb 0.48 -2.33 0.22 0.00 -0.02 0.00 0.00 33.50 31.86 2wwp n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wwp n ALA 99 N 1.04 2.69 0.00 3.55 0.00 -0.55 -4.66 120.51 122.58 2wwp n ALA 99 Ca 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2wwp n ALA 99 Cb 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2wwp n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwp n GLY 100 N -0.07 0.39 2.95 0.00 0.00 -1.26 -4.91 105.19 102.29 2wwp n GLY 100 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2wwp n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wwp s SER 101 N -2.10 0.46 0.12 1.61 0.01 -1.26 -5.10 113.70 107.45 2wwp s SER 101 Ca 0.00 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 2wwp s SER 101 Cb 0.00 -0.03 -0.10 0.00 0.21 0.00 0.00 66.02 66.09 2wwp s SER 101 CO 0.00 0.01 1.82 -0.76 0.41 0.00 0.00 173.24 174.72 2wwp s LEU 102 N -0.28 4.40 0.00 2.44 1.43 -1.26 -1.05 118.68 124.36 2wwp s LEU 102 Ca -0.00 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2wwp s LEU 102 Cb -0.03 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2wwp s LEU 102 CO -0.00 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.19 2wwp n GLY 103 N 4.22 0.65 3.46 -3.19 0.00 -1.26 -4.71 105.19 104.36 2wwp n GLY 103 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2wwp n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wwp s SER 104 N -2.89 4.33 0.20 1.61 0.15 -0.22 -1.03 113.70 115.85 2wwp s SER 104 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2wwp s SER 104 Cb 0.00 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 2wwp s SER 104 CO 0.00 0.24 0.08 -0.31 1.20 0.00 0.00 173.24 174.44 2wwp s TYR 105 N -0.06 1.21 -0.03 3.44 2.02 0.21 -1.48 117.35 122.67 2wwp s TYR 105 Ca -0.01 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.49 2wwp s TYR 105 Cb -0.14 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 2wwp s TYR 105 CO 0.03 -0.45 -0.11 0.45 -1.57 0.00 0.00 175.55 173.91 2wwp s SER 106 N -3.18 1.38 -0.06 2.29 0.15 0.25 -0.59 113.70 113.93 2wwp s SER 106 Ca 0.32 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.78 2wwp s SER 106 Cb 0.07 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 2wwp s SER 106 CO 0.09 0.09 -0.13 -0.47 1.20 0.00 0.00 173.24 174.02 2wwp s TYR 107 N 0.12 1.50 -0.22 3.44 5.04 0.24 -0.63 117.35 126.83 2wwp s TYR 107 Ca -0.02 -0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 53.98 2wwp s TYR 107 Cb -0.09 -1.09 -0.04 0.00 0.35 0.00 0.00 41.96 41.10 2wwp s TYR 107 CO 0.01 -0.27 0.08 0.50 -1.34 0.00 0.00 175.55 174.52 2wwp s ARG 108 N 0.62 3.83 -0.51 4.97 6.06 -1.26 -0.28 118.95 132.39 2wwp s ARG 108 Ca -0.14 -0.40 -0.07 0.00 -2.50 0.00 0.00 55.73 52.62 2wwp s ARG 108 Cb -0.16 -3.31 0.13 0.00 0.06 0.00 0.00 34.95 31.67 2wwp s ARG 108 CO 0.04 0.02 0.36 0.45 -2.50 0.00 0.00 175.30 173.67 2wwp s SER 109 N 1.07 5.60 0.26 -2.12 0.15 0.03 -4.96 113.70 113.72 2wwp s SER 109 Ca 0.05 -2.15 -0.04 0.00 0.70 0.00 0.00 55.95 54.51 2wwp s SER 109 Cb -0.14 -1.96 0.35 0.00 -1.71 0.00 0.00 66.02 62.56 2wwp s SER 109 CO 0.03 -0.60 1.91 -0.65 1.20 0.00 0.00 173.24 175.14 2wwp h PRO 110 N 8.08 1.22 -0.11 5.44 0.11 -1.97 -1.39 132.00 143.39 2wwp h PRO 110 Ca -0.14 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 2wwp h PRO 110 Cb 1.04 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2wwp h PRO 110 CO 0.79 0.81 -0.03 0.45 -0.21 0.00 0.00 178.00 179.81 2wwp h HIS 111 N 1.26 0.16 -0.28 0.65 3.86 -1.95 -2.10 115.15 116.76 2wwp h HIS 111 Ca 0.39 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 2wwp h HIS 111 Cb -0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2wwp h HIS 111 CO -0.00 0.20 0.00 0.91 0.86 0.00 0.00 177.93 179.90 2wwp n TRP 112 N -4.40 0.34 -2.81 2.45 7.02 -0.88 -4.98 117.44 114.18 2wwp n TRP 112 Ca -0.01 -0.17 -0.19 0.00 -1.02 0.00 0.00 57.50 56.10 2wwp n TRP 112 Cb 0.17 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.06 2wwp n TRP 112 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wwp n GLY 113 N 1.45 -0.50 3.05 6.99 0.00 -0.58 -4.42 105.19 111.18 2wwp n GLY 113 Ca 0.18 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2wwp n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wwp s SER 114 N -2.38 0.47 0.05 1.61 0.01 -1.12 -4.22 113.70 108.12 2wwp s SER 114 Ca 0.18 -0.74 0.07 0.00 1.31 0.00 0.00 55.95 56.76 2wwp s SER 114 Cb -0.09 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2wwp s SER 114 CO 0.22 -0.42 -0.18 0.42 0.41 0.00 0.00 173.24 173.68 2wwp s THR 115 N -2.60 2.79 0.03 1.44 -4.23 -0.70 -0.79 115.64 111.57 2wwp s THR 115 Ca -0.04 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2wwp s THR 115 Cb -0.02 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 2wwp s THR 115 CO -0.05 0.32 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.92 2wwp s TYR 116 N -0.94 1.09 -0.07 3.99 2.02 0.61 -0.41 117.35 123.65 2wwp s TYR 116 Ca 0.15 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.40 2wwp s TYR 116 Cb -0.10 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 2wwp s TYR 116 CO 0.06 0.01 0.34 -1.54 -1.57 0.00 0.00 175.55 172.84 2wwp s SER 117 N -0.93 6.64 -0.08 2.29 1.04 0.10 -0.60 113.70 122.16 2wwp s SER 117 Ca 0.01 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2wwp s SER 117 Cb -0.07 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.87 2wwp s SER 117 CO 0.01 0.27 -0.07 -0.69 0.98 0.00 0.00 173.24 173.74 2wwp s VAL 118 N -0.62 0.83 -0.03 5.02 1.01 0.24 -1.32 120.40 125.53 2wwp s VAL 118 Ca 0.21 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2wwp s VAL 118 Cb -0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2wwp s VAL 118 CO 0.09 0.31 -0.21 -0.44 0.00 0.00 0.00 175.10 174.86 2wwp s SER 119 N 1.35 2.52 -0.74 3.32 0.01 -0.20 0.64 113.70 120.60 2wwp s SER 119 Ca -0.03 -0.40 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 2wwp s SER 119 Cb -0.14 -0.40 0.07 0.00 0.21 0.00 0.00 66.02 65.77 2wwp s SER 119 CO -0.03 0.24 1.07 -0.69 0.41 0.00 0.00 173.24 174.24 2wwp s VAL 120 N -0.37 4.27 0.09 3.43 1.01 -0.19 -1.58 120.40 127.05 2wwp s VAL 120 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2wwp s VAL 120 Cb -0.09 -4.76 -0.10 0.00 0.00 0.00 0.00 36.38 31.43 2wwp s VAL 120 CO 0.00 -1.56 1.39 0.58 0.00 0.00 0.00 175.10 175.52 2wwp h VAL 121 N 6.02 1.31 -2.73 2.92 2.07 -1.20 0.54 116.25 125.18 2wwp h VAL 121 Ca -0.19 -1.49 -0.13 0.00 0.82 0.00 0.00 66.70 65.72 2wwp h VAL 121 Cb 1.06 1.68 -0.26 0.00 -1.52 0.00 0.00 31.29 32.24 2wwp h VAL 121 CO 1.20 0.47 -0.29 -0.70 0.02 0.00 0.00 177.57 178.27 2wwp s GLU 122 N -4.27 0.41 -0.05 1.57 2.12 -1.11 -1.57 118.70 115.80 2wwp s GLU 122 Ca -0.12 0.67 -0.26 0.00 0.36 0.00 0.00 54.97 55.62 2wwp s GLU 122 Cb 0.08 0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.60 2wwp s GLU 122 CO 0.82 -0.11 0.56 -0.08 -0.54 0.00 0.00 175.26 175.92 2wwp s THR 123 N 0.87 0.02 -1.65 -1.70 -1.32 -1.26 -0.08 115.64 110.52 2wwp s THR 123 Ca -0.05 -0.14 0.17 0.00 -1.21 0.00 0.00 61.69 60.45 2wwp s THR 123 Cb -0.06 -0.88 0.37 0.00 -1.51 0.00 0.00 72.50 70.43 2wwp s THR 123 CO -0.07 -0.08 1.29 -0.90 -2.21 0.00 0.00 174.62 172.65 2wwp n ASP 124 N 1.09 3.14 0.00 8.08 5.75 -1.12 -5.00 116.55 128.49 2wwp n ASP 124 Ca -0.20 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2wwp n ASP 124 Cb 0.57 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2wwp n ASP 124 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2wwp n TYR 125 N 1.04 0.00 0.69 2.11 4.01 -1.25 -4.46 117.16 119.30 2wwp n TYR 125 Ca 0.16 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.00 2wwp n TYR 125 Cb 0.50 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.42 2wwp n TYR 125 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2wwp n ASP 126 N 1.10 0.68 0.00 7.72 8.00 -1.26 -4.74 116.55 128.05 2wwp n ASP 126 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.87 2wwp n ASP 126 Cb 0.00 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2wwp n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wwp n GLN 127 N -1.75 0.00 -3.86 -1.24 1.13 -1.26 -4.77 117.38 105.64 2wwp n GLN 127 Ca 0.02 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 2wwp n GLN 127 Cb 0.40 -0.51 -0.08 0.00 0.11 0.00 0.00 30.24 30.17 2wwp n GLN 127 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2wwp s TYR 128 N -1.51 0.13 -0.06 1.08 -0.85 -1.26 -0.78 117.35 114.09 2wwp s TYR 128 Ca 0.00 -0.49 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 2wwp s TYR 128 Cb 0.00 -0.06 0.03 0.00 0.38 0.00 0.00 41.96 42.31 2wwp s TYR 128 CO 0.00 -0.50 0.15 0.00 -1.52 0.00 0.00 175.55 173.68 2wwp s ALA 129 N -3.44 -0.32 -0.23 9.51 0.00 -0.18 -2.80 121.76 124.29 2wwp s ALA 129 Ca 0.02 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 2wwp s ALA 129 Cb 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2wwp s ALA 129 CO -0.09 -0.12 0.04 -0.51 0.00 0.00 0.00 175.76 175.08 2wwp s LEU 130 N 0.73 3.35 0.10 0.00 1.43 0.88 -0.97 118.68 124.20 2wwp s LEU 130 Ca -0.05 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2wwp s LEU 130 Cb -0.07 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2wwp s LEU 130 CO -0.04 -0.00 -0.26 -0.76 0.23 0.00 0.00 176.35 175.52 2wwp s LEU 131 N 1.41 2.31 -0.05 1.79 1.02 -0.02 -0.92 118.68 124.22 2wwp s LEU 131 Ca 0.05 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.53 2wwp s LEU 131 Cb -0.15 -1.27 0.02 0.00 0.02 0.00 0.00 46.19 44.81 2wwp s LEU 131 CO 0.02 0.20 -0.07 -0.47 0.02 0.00 0.00 176.35 176.05 2wwp s TYR 132 N -0.99 0.99 -0.03 0.29 5.04 -0.61 -0.50 117.35 121.53 2wwp s TYR 132 Ca 0.14 -0.31 0.04 0.00 -2.44 0.00 0.00 57.07 54.50 2wwp s TYR 132 Cb -0.10 -0.79 -0.01 0.00 0.35 0.00 0.00 41.96 41.42 2wwp s TYR 132 CO 0.05 -0.20 -0.16 -1.12 -1.34 0.00 0.00 175.55 172.78 2wwp s SER 133 N 0.73 1.91 0.01 4.32 0.01 -0.11 -1.03 113.70 119.53 2wwp s SER 133 Ca -0.12 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 56.84 2wwp s SER 133 Cb -0.14 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.70 2wwp s SER 133 CO 0.01 0.16 -0.01 0.00 0.41 0.00 0.00 173.24 173.81 2wwp s GLN 134 N -0.13 0.17 0.55 12.44 -2.07 -0.44 -1.17 119.66 129.01 2wwp s GLN 134 Ca 0.01 -0.32 -0.21 0.00 -1.82 0.00 0.00 55.36 53.02 2wwp s GLN 134 Cb -0.09 0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.84 2wwp s GLN 134 CO 0.01 -0.03 1.25 0.41 -1.32 0.00 0.00 175.29 175.61 2wwp n GLY 135 N 2.29 0.48 0.01 2.60 0.00 -0.72 0.01 105.19 109.86 2wwp n GLY 135 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2wwp n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wwp n SER 136 N -0.82 4.11 -3.95 1.61 3.41 0.45 -4.72 113.62 113.71 2wwp n SER 136 Ca 0.11 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 2wwp n SER 136 Cb 0.44 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 2wwp n SER 136 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wwp s LYS 137 N -2.03 0.46 0.35 4.33 3.01 -1.07 -4.92 119.74 119.87 2wwp s LYS 137 Ca -0.02 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.30 2wwp s LYS 137 Cb 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 2wwp s LYS 137 CO 0.04 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.21 2wwp n GLY 138 N 1.21 -2.45 0.40 -3.33 0.00 -1.26 -1.72 105.19 98.05 2wwp n GLY 138 Ca -0.22 -1.67 0.22 0.00 0.00 0.00 0.00 46.02 44.36 2wwp n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wwp h PRO 139 N 0.00 0.00 -0.48 1.61 0.11 -1.77 -1.67 132.00 129.80 2wwp h PRO 139 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wwp h PRO 139 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wwp h PRO 139 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2wwp n GLY 140 N -1.60 0.90 0.35 -0.55 0.00 -1.26 -4.52 105.19 98.51 2wwp n GLY 140 Ca 0.11 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2wwp n GLY 140 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wwp h GLU 141 N 1.54 0.06 0.00 1.61 4.81 -1.50 -1.05 114.58 120.05 2wwp h GLU 141 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wwp h GLU 141 Cb 0.60 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2wwp h GLU 141 CO 0.06 0.04 -0.30 -0.25 -0.73 0.00 0.00 179.01 177.84 2wwp n ASP 142 N -4.43 0.32 -4.77 1.04 8.00 -1.26 -3.89 116.55 111.55 2wwp n ASP 142 Ca 0.07 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 2wwp n ASP 142 Cb 0.46 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 2wwp n ASP 142 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wwp s PHE 143 N -3.01 2.55 -0.06 1.24 5.36 -0.40 -4.84 117.98 118.82 2wwp s PHE 143 Ca 0.12 1.25 -0.06 0.00 -0.96 0.00 0.00 56.93 57.28 2wwp s PHE 143 Cb 0.18 -3.93 0.02 0.00 -0.34 0.00 0.00 43.02 38.94 2wwp s PHE 143 CO 0.63 -2.86 0.16 1.03 -1.46 0.00 0.00 175.22 172.72 2wwp s ARG 144 N -2.29 0.19 -0.22 10.12 0.52 -1.26 -1.75 118.95 124.25 2wwp s ARG 144 Ca 0.57 0.23 -0.15 0.00 -0.52 0.00 0.00 55.73 55.86 2wwp s ARG 144 Cb -0.44 0.09 0.06 0.00 0.52 0.00 0.00 34.95 35.18 2wwp s ARG 144 CO 0.58 -0.03 0.56 1.41 0.02 0.00 0.00 175.30 177.85 2wwp s MET 145 N 0.11 0.60 -0.11 3.54 1.75 -0.31 -2.61 119.30 122.27 2wwp s MET 145 Ca -0.00 0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 55.33 2wwp s MET 145 Cb -0.01 0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.78 2wwp s MET 145 CO 0.00 -0.13 0.05 0.00 -0.65 0.00 0.00 175.02 174.29 2wwp s ALA 146 N 1.06 3.45 -0.02 4.11 0.00 0.54 -0.94 121.76 129.97 2wwp s ALA 146 Ca -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2wwp s ALA 146 Cb -0.06 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2wwp s ALA 146 CO -0.10 0.52 -0.14 0.99 0.00 0.00 0.00 175.76 177.03 2wwp s THR 147 N -0.69 1.15 -0.22 0.00 2.01 0.34 -1.23 115.64 116.99 2wwp s THR 147 Ca 0.12 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2wwp s THR 147 Cb -0.12 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2wwp s THR 147 CO 0.02 0.33 0.05 -0.22 -0.69 0.00 0.00 174.62 174.12 2wwp s LEU 148 N -0.21 3.48 -0.09 4.42 2.96 -0.40 -0.84 118.68 127.99 2wwp s LEU 148 Ca 0.03 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2wwp s LEU 148 Cb -0.07 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2wwp s LEU 148 CO 0.00 0.03 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.64 2wwp s TYR 149 N 1.20 2.81 0.02 5.38 1.51 -0.14 -0.93 117.35 127.20 2wwp s TYR 149 Ca 0.04 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2wwp s TYR 149 Cb -0.14 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2wwp s TYR 149 CO 0.03 0.03 -0.17 0.45 -1.11 0.00 0.00 175.55 174.78 2wwp s SER 150 N -0.21 2.03 0.47 2.29 0.15 -0.27 -1.01 113.70 117.15 2wwp s SER 150 Ca 0.01 -0.43 0.27 0.00 0.70 0.00 0.00 55.95 56.51 2wwp s SER 150 Cb -0.13 -0.18 0.87 0.00 -1.71 0.00 0.00 66.02 64.88 2wwp s SER 150 CO 0.03 0.13 1.80 0.03 1.20 0.00 0.00 173.24 176.43 2wwp h ARG 151 N 5.17 0.00 -5.99 5.44 2.47 -1.25 0.26 114.38 120.47 2wwp h ARG 151 Ca -0.39 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.75 2wwp h ARG 151 Cb 1.16 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.38 2wwp h ARG 151 CO 0.45 0.09 -0.59 0.95 0.56 0.00 0.00 179.97 181.43 2wwp s THR 152 N -3.48 2.60 -1.15 2.04 -4.23 -1.26 -4.79 115.64 105.37 2wwp s THR 152 Ca 0.03 -1.91 0.29 0.00 -1.18 0.00 0.00 61.69 58.92 2wwp s THR 152 Cb 0.08 -2.85 0.34 0.00 1.34 0.00 0.00 72.50 71.40 2wwp s THR 152 CO 0.62 -0.16 1.96 0.00 -0.54 0.00 0.00 174.62 176.49 2wwp n GLN 153 N -1.01 0.15 -3.93 3.99 6.02 -1.26 -4.41 117.38 116.92 2wwp n GLN 153 Ca -0.04 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.66 2wwp n GLN 153 Cb 0.63 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.25 2wwp n GLN 153 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wwp s THR 154 N -2.85 2.44 0.20 5.09 -4.23 -1.26 -4.72 115.64 110.31 2wwp s THR 154 Ca 0.19 -3.14 -0.31 0.00 -1.18 0.00 0.00 61.69 57.25 2wwp s THR 154 Cb 0.19 -2.71 -0.10 0.00 1.34 0.00 0.00 72.50 71.23 2wwp s THR 154 CO 0.50 -0.79 1.49 -2.84 -0.54 0.00 0.00 174.62 172.44 2wwp s PRO 155 N -0.10 4.25 0.77 3.99 0.02 -1.26 -4.98 135.00 137.70 2wwp s PRO 155 Ca 0.16 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.38 2wwp s PRO 155 Cb -0.25 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 31.19 2wwp s PRO 155 CO -0.01 -0.50 1.11 -0.98 -0.33 0.00 0.00 177.00 176.29 2wwp s ARG 156 N 0.36 2.13 0.29 5.54 1.70 -1.26 -4.82 118.95 122.88 2wwp s ARG 156 Ca 0.64 1.32 0.03 0.00 -0.47 0.00 0.00 55.73 57.25 2wwp s ARG 156 Cb -0.42 -1.87 0.65 0.00 -0.57 0.00 0.00 34.95 32.73 2wwp s ARG 156 CO 0.37 -1.76 1.78 0.00 -1.08 0.00 0.00 175.30 174.61 2wwp h ALA 157 N -0.99 1.52 -0.01 7.88 0.00 -2.00 -1.20 119.26 124.46 2wwp h ALA 157 Ca -0.44 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2wwp h ALA 157 Cb 1.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2wwp h ALA 157 CO 0.50 -0.03 -0.23 0.93 0.00 0.00 0.00 179.25 180.42 2wwp h GLU 158 N 0.74 0.02 0.10 0.00 3.07 -1.99 -0.93 114.58 115.59 2wwp h GLU 158 Ca 0.53 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.12 2wwp h GLU 158 Cb 0.77 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2wwp h GLU 158 CO -0.37 0.25 -1.17 1.25 -1.40 0.00 0.00 179.01 177.57 2wwp h LEU 159 N 0.02 0.50 -0.83 1.33 5.85 -1.59 -1.00 115.31 119.59 2wwp h LEU 159 Ca 0.00 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2wwp h LEU 159 Cb 0.42 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2wwp h LEU 159 CO 0.03 1.35 0.30 0.11 -0.34 0.00 0.00 178.44 179.89 2wwp h LYS 160 N 0.13 1.16 -0.40 1.25 1.57 -1.10 -1.12 116.57 118.06 2wwp h LYS 160 Ca -0.13 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2wwp h LYS 160 Cb 1.87 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 2wwp h LYS 160 CO 0.20 0.95 0.17 0.93 -0.57 0.00 0.00 179.45 181.13 2wwp h GLU 161 N 1.13 0.59 -0.39 3.15 5.08 -1.12 -0.95 114.58 122.06 2wwp h GLU 161 Ca 0.26 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2wwp h GLU 161 Cb 0.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2wwp h GLU 161 CO -0.02 0.54 0.16 -0.22 -1.00 0.00 0.00 179.01 178.47 2wwp h LYS 162 N 0.50 0.32 -0.48 2.33 3.64 -0.93 -1.60 116.57 120.33 2wwp h LYS 162 Ca 0.13 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2wwp h LYS 162 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2wwp h LYS 162 CO -0.01 0.21 -0.04 0.35 -2.27 0.00 0.00 179.45 177.69 2wwp h PHE 163 N 0.33 0.97 -0.63 1.91 3.57 -1.07 0.10 116.94 122.13 2wwp h PHE 163 Ca 0.17 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2wwp h PHE 163 Cb 0.13 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 2wwp h PHE 163 CO -0.13 0.93 0.32 1.15 -2.23 0.00 0.00 178.31 178.35 2wwp h THR 164 N 0.73 0.93 -0.30 4.41 2.02 -0.95 -0.60 112.91 119.14 2wwp h THR 164 Ca 0.13 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 2wwp h THR 164 Cb 0.57 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2wwp h THR 164 CO 0.03 0.11 -0.39 0.00 0.37 0.00 0.00 175.52 175.64 2wwp h ALA 165 N 1.35 0.74 -0.46 6.16 0.00 -0.98 -1.60 119.26 124.47 2wwp h ALA 165 Ca 0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2wwp h ALA 165 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wwp h ALA 165 CO -0.20 0.66 0.18 0.35 0.00 0.00 0.00 179.25 180.24 2wwp h PHE 166 N 0.59 0.70 -0.39 0.00 3.57 -0.54 -0.72 116.94 120.15 2wwp h PHE 166 Ca 0.05 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2wwp h PHE 166 Cb 0.93 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2wwp h PHE 166 CO 0.05 0.60 0.22 0.00 -2.23 0.00 0.00 178.31 176.95 2wwp h LYS 168 N 0.51 1.07 -0.19 0.00 3.64 -1.17 -1.34 116.57 119.09 2wwp h LYS 168 Ca 0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2wwp h LYS 168 Cb 0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2wwp h LYS 168 CO -0.02 0.71 0.09 0.00 -2.27 0.00 0.00 179.45 177.96 2wwp h ALA 169 N 1.38 1.81 -0.46 5.00 0.00 -0.67 -2.47 119.26 123.85 2wwp h ALA 169 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2wwp h ALA 169 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wwp h ALA 169 CO -0.13 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.32 2wwp n GLN 170 N -4.48 2.75 -0.79 0.00 1.13 -0.59 -4.91 117.38 110.50 2wwp n GLN 170 Ca -0.00 -1.95 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 2wwp n GLN 170 Cb 0.10 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.81 2wwp n GLN 170 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wwp n GLY 171 N 0.97 0.69 3.72 1.08 0.00 -0.93 -5.02 105.19 105.69 2wwp n GLY 171 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2wwp n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wwp s PHE 172 N -2.46 3.69 0.50 1.61 0.08 -0.70 -5.01 117.98 115.69 2wwp s PHE 172 Ca 0.00 1.61 -0.14 0.00 0.12 0.00 0.00 56.93 58.51 2wwp s PHE 172 Cb 0.00 -3.01 -0.07 0.00 -0.57 0.00 0.00 43.02 39.37 2wwp s PHE 172 CO 0.00 0.10 0.94 0.95 -0.10 0.00 0.00 175.22 177.10 2wwp s THR 173 N 0.60 4.62 0.44 0.64 -4.23 -1.26 -3.95 115.64 112.49 2wwp s THR 173 Ca 0.46 1.02 0.21 0.00 -1.18 0.00 0.00 61.69 62.20 2wwp s THR 173 Cb -0.21 -3.74 0.40 0.00 1.34 0.00 0.00 72.50 70.29 2wwp s THR 173 CO 0.26 -0.71 1.84 -0.08 -0.54 0.00 0.00 174.62 175.39 2wwp h GLU 174 N 0.84 0.32 0.00 3.99 4.57 -1.96 -0.97 114.58 121.37 2wwp h GLU 174 Ca -0.47 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2wwp h GLU 174 Cb 1.19 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2wwp h GLU 174 CO 0.62 0.21 -0.06 0.38 -1.18 0.00 0.00 179.01 178.98 2wwp h ASP 175 N 0.33 0.00 0.21 1.04 3.04 -2.02 -2.50 116.42 116.52 2wwp h ASP 175 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 2wwp h ASP 175 Cb 1.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.65 2wwp h ASP 175 CO -0.17 0.06 -0.52 0.35 -2.04 0.00 0.00 179.24 176.92 2wwp n THR 176 N -3.32 0.00 -2.93 1.15 -2.24 -0.37 -4.92 114.28 101.65 2wwp n THR 176 Ca -0.01 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2wwp n THR 176 Cb 0.24 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 2wwp n THR 176 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wwp s ILE 177 N -2.74 4.94 -0.11 2.28 1.01 -0.94 -3.79 121.20 121.85 2wwp s ILE 177 Ca 0.16 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2wwp s ILE 177 Cb 0.18 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2wwp s ILE 177 CO 0.65 0.11 -0.10 -0.69 0.00 0.00 0.00 174.94 174.91 2wwp s VAL 178 N 1.64 1.15 -0.11 2.92 1.01 0.11 -5.00 120.40 122.11 2wwp s VAL 178 Ca 0.39 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 2wwp s VAL 178 Cb -0.17 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2wwp s VAL 178 CO 0.15 0.38 0.60 -0.36 0.00 0.00 0.00 175.10 175.87 2wwp s PHE 179 N 1.47 3.51 -0.28 5.22 0.08 -1.26 -0.26 117.98 126.45 2wwp s PHE 179 Ca 0.01 1.04 -0.19 0.00 0.12 0.00 0.00 56.93 57.91 2wwp s PHE 179 Cb -0.13 -2.70 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 2wwp s PHE 179 CO -0.06 0.07 0.56 -0.51 -0.10 0.00 0.00 175.22 175.17 2wwp s LEU 180 N 0.96 4.11 0.36 -0.37 1.43 0.12 -4.94 118.68 120.34 2wwp s LEU 180 Ca 0.31 0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 2wwp s LEU 180 Cb -0.16 -2.72 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 2wwp s LEU 180 CO 0.13 -0.37 0.99 -2.16 0.23 0.00 0.00 176.35 175.17 2wwp s PRO 181 N 2.43 4.39 0.00 1.29 0.04 -1.26 -4.26 135.00 137.63 2wwp s PRO 181 Ca 0.23 1.40 0.16 0.00 0.04 0.00 0.00 61.00 62.83 2wwp s PRO 181 Cb -0.15 -2.66 0.98 0.00 0.04 0.00 0.00 34.50 32.70 2wwp s PRO 181 CO 0.10 0.09 1.38 0.94 0.04 0.00 0.00 177.00 179.55