#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 6.71 -0.04 4.52 0.01 -1.26 -5.03 113.70 118.61 2wwp s SER 29 Ca 0.00 2.73 0.07 0.00 1.31 0.00 0.00 55.95 60.06 2wwp s SER 29 Cb 0.00 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2wwp s SER 29 CO 0.00 -0.60 -0.25 -0.69 0.41 0.00 0.00 173.24 172.11 2wwp s VAL 30 N -0.98 2.04 -0.33 3.43 1.01 -1.26 -4.32 120.40 119.98 2wwp s VAL 30 Ca 0.51 -1.08 -0.40 0.00 0.00 0.00 0.00 61.98 61.00 2wwp s VAL 30 Cb -0.41 -1.70 -0.15 0.00 0.00 0.00 0.00 36.38 34.11 2wwp s VAL 30 CO 0.53 0.57 1.86 1.67 0.00 0.00 0.00 175.10 179.73 2wwp n GLN 31 N 2.66 0.94 -1.80 2.72 -0.06 -0.18 -4.89 117.38 116.77 2wwp n GLN 31 Ca -0.17 0.32 -0.40 0.00 -2.00 0.00 0.00 57.00 54.76 2wwp n GLN 31 Cb 0.51 -2.07 0.02 0.00 -4.06 0.00 0.00 30.24 24.65 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 4.26 3.60 -1.50 3.69 0.02 -1.26 -2.99 135.00 140.82 2wwp s PRO 32 Ca 1.03 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 64.33 2wwp s PRO 32 Cb -1.11 -2.59 0.07 0.00 0.02 0.00 0.00 34.50 30.89 2wwp s PRO 32 CO 0.64 -0.88 0.91 -1.71 -0.33 0.00 0.00 177.00 175.64 2wwp n ASN 33 N -0.33 -3.98 -4.68 2.53 5.15 -1.26 -4.85 115.26 107.84 2wwp n ASN 33 Ca 0.06 -0.80 -0.45 0.00 -0.60 0.00 0.00 54.58 52.79 2wwp n ASN 33 Cb 0.42 -3.86 -0.04 0.00 -0.53 0.00 0.00 39.78 35.78 2wwp n ASN 33 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2wwp n PHE 34 N -4.60 2.35 -3.76 1.20 7.35 -1.16 -4.96 117.46 113.88 2wwp n PHE 34 Ca -0.03 0.23 -0.35 0.00 -0.76 0.00 0.00 57.45 56.54 2wwp n PHE 34 Cb 0.56 -2.57 -0.10 0.00 0.35 0.00 0.00 39.48 37.72 2wwp n PHE 34 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2wwp s GLN 35 N 0.98 2.48 0.38 -4.13 -1.52 -1.26 -4.88 119.66 111.71 2wwp s GLN 35 Ca 0.78 -2.57 0.08 0.00 -1.95 0.00 0.00 55.36 51.70 2wwp s GLN 35 Cb -0.65 -3.67 0.82 0.00 -0.22 0.00 0.00 33.01 29.29 2wwp s GLN 35 CO 0.37 -1.16 1.96 0.37 -0.25 0.00 0.00 175.29 176.58 2wwp h GLN 36 N 6.91 0.64 -0.17 2.91 4.15 -1.99 -1.20 115.11 126.36 2wwp h GLN 36 Ca -0.02 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2wwp h GLN 36 Cb 0.94 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2wwp h GLN 36 CO 0.71 0.42 -0.17 0.38 -1.93 0.00 0.00 178.83 178.24 2wwp h ASP 37 N 0.66 0.26 1.56 -0.69 2.03 -1.99 -1.83 116.42 116.42 2wwp h ASP 37 Ca 0.30 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 2wwp h ASP 37 Cb 0.34 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2wwp h ASP 37 CO -0.10 0.46 0.00 0.11 -1.03 0.00 0.00 179.24 178.68 2wwp h LYS 38 N 0.26 0.00 0.00 4.15 1.57 -1.66 -3.03 116.57 117.86 2wwp h LYS 38 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wwp h LYS 38 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wwp h LYS 38 CO 0.03 0.00 -0.09 0.34 -0.57 0.00 0.00 179.45 179.16 2wwp n PHE 39 N -2.93 0.32 -1.10 -1.35 7.35 -0.70 -4.83 117.46 114.21 2wwp n PHE 39 Ca 0.03 0.09 -0.30 0.00 -0.76 0.00 0.00 57.45 56.51 2wwp n PHE 39 Cb 0.43 -0.62 0.14 0.00 0.35 0.00 0.00 39.48 39.78 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 -3.54 2.35 0.00 -2.13 1.43 -1.15 -4.83 118.68 110.81 2wwp s LEU 40 Ca 0.12 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2wwp s LEU 40 Cb 0.16 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.33 2wwp s LEU 40 CO 0.58 -2.71 0.00 0.61 0.23 0.00 0.00 176.35 175.06 2wwp n GLY 41 N -0.84 -0.79 3.71 -3.19 0.00 0.72 -4.89 105.19 99.91 2wwp n GLY 41 Ca 0.08 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.26 118.95 127.13 2wwp s ARG 42 Ca 0.00 0.75 0.04 0.00 -0.13 0.00 0.00 55.73 56.39 2wwp s ARG 42 Cb 0.00 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2wwp s ARG 42 CO 0.00 0.03 -0.04 -1.58 -0.81 0.00 0.00 175.30 172.90 2wwp s TRP 43 N 0.96 1.43 -0.10 5.12 0.52 0.45 -4.79 118.94 122.54 2wwp s TRP 43 Ca 0.34 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.62 2wwp s TRP 43 Cb -0.17 -0.79 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 2wwp s TRP 43 CO 0.15 0.00 -0.18 -0.06 0.02 0.00 0.00 176.95 176.88 2wwp s PHE 44 N -3.39 2.13 -0.46 -1.98 0.08 0.28 -0.30 117.98 114.34 2wwp s PHE 44 Ca 0.24 -0.93 -0.28 0.00 0.12 0.00 0.00 56.93 56.07 2wwp s PHE 44 Cb 0.04 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2wwp s PHE 44 CO 0.05 -0.43 1.41 -1.54 -0.10 0.00 0.00 175.22 174.61 2wwp s SER 45 N 0.69 6.27 -0.00 1.36 1.04 -0.48 -1.08 113.70 121.51 2wwp s SER 45 Ca -0.12 0.66 0.13 0.00 0.48 0.00 0.00 55.95 57.09 2wwp s SER 45 Cb -0.16 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.27 2wwp s SER 45 CO 0.03 -1.52 0.51 0.00 0.98 0.00 0.00 173.24 173.24 2wwp n ALA 46 N 9.06 3.52 -3.56 5.32 0.00 0.27 -3.79 120.51 131.33 2wwp n ALA 46 Ca 0.15 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2wwp n ALA 46 Cb 0.48 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.38 -0.34 0.05 0.00 0.00 -1.19 -0.86 107.32 102.60 2wwp s GLY 47 Ca 0.04 1.77 -0.12 0.00 0.00 0.00 0.00 44.72 46.40 2wwp s GLY 47 CO 0.53 0.90 0.28 0.48 0.00 0.00 0.00 173.10 175.29 2wwp s LEU 48 N -1.35 1.01 -0.01 0.66 0.05 0.34 -0.75 118.68 118.63 2wwp s LEU 48 Ca -0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 2wwp s LEU 48 Cb -0.00 1.27 0.01 0.00 -2.05 0.00 0.00 46.19 45.41 2wwp s LEU 48 CO 0.01 -0.63 0.02 0.00 -0.55 0.00 0.00 176.35 175.20 2wwp s ALA 49 N -2.74 -0.03 0.08 1.48 0.00 -0.33 -0.04 121.76 120.18 2wwp s ALA 49 Ca -0.04 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 2wwp s ALA 49 Cb -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2wwp s ALA 49 CO -0.05 -0.03 0.48 0.45 0.00 0.00 0.00 175.76 176.61 2wwp s SER 50 N 0.20 -0.37 -0.07 0.00 0.15 -1.24 -0.10 113.70 112.27 2wwp s SER 50 Ca -0.02 -0.01 0.11 0.00 0.70 0.00 0.00 55.95 56.74 2wwp s SER 50 Cb -0.02 0.49 0.45 0.00 -1.71 0.00 0.00 66.02 65.22 2wwp s SER 50 CO -0.01 -0.77 1.30 -0.46 1.20 0.00 0.00 173.24 174.50 2wwp n ASN 51 N 0.17 3.14 -4.17 5.45 6.94 -0.99 -4.75 115.26 121.05 2wwp n ASN 51 Ca -0.18 -2.28 -0.35 0.00 -0.02 0.00 0.00 54.58 51.75 2wwp n ASN 51 Cb 0.62 -0.46 -0.13 0.00 -2.36 0.00 0.00 39.78 37.45 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 -0.74 5.04 0.21 0.53 0.15 -1.26 -4.96 113.70 112.67 2wwp s SER 52 Ca 0.32 -1.49 -0.12 0.00 0.70 0.00 0.00 55.95 55.36 2wwp s SER 52 Cb 0.20 -1.76 0.26 0.00 -1.71 0.00 0.00 66.02 63.02 2wwp s SER 52 CO 0.15 -0.35 1.66 0.77 1.20 0.00 0.00 173.24 176.67 2wwp h SER 53 N 8.03 -0.34 0.83 5.45 4.64 -2.02 -2.52 113.55 127.62 2wwp h SER 53 Ca -0.19 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 2wwp h SER 53 Cb 1.06 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2wwp h SER 53 CO 0.59 -0.13 -0.13 4.11 -0.87 0.00 0.00 176.83 180.39 2wwp h TRP 54 N 0.08 0.00 -2.76 4.77 5.08 -1.99 -3.53 115.95 117.62 2wwp h TRP 54 Ca 0.31 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.72 2wwp h TRP 54 Cb 0.49 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.57 2wwp h TRP 54 CO -0.39 0.13 0.99 -1.17 -1.28 0.00 0.00 178.44 176.72 2wwp s LEU 55 N -6.66 3.37 0.00 0.11 2.96 -0.95 -5.27 118.68 112.23 2wwp s LEU 55 Ca -0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2wwp s LEU 55 Cb 0.10 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.97 2wwp s LEU 55 CO 0.59 -1.65 0.00 0.18 -1.32 0.00 0.00 176.35 174.15 2wwp n LEU 62 N 8.85 0.00 -4.23 -0.68 4.77 -1.26 -5.11 117.00 119.34 2wwp n LEU 62 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2wwp n LEU 62 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2wwp n LEU 62 CO 0.71 0.00 -0.30 -0.94 -1.33 0.00 0.00 177.39 175.53 2wwp s SER 63 N -3.47 0.90 0.32 -1.43 1.04 -1.26 -4.65 113.70 105.14 2wwp s SER 63 Ca 0.00 -1.24 -0.29 0.00 0.48 0.00 0.00 55.95 54.90 2wwp s SER 63 Cb 0.00 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 66.20 2wwp s SER 63 CO 0.00 -0.66 1.44 -0.32 0.98 0.00 0.00 173.24 174.68 2wwp s MET 64 N -3.99 4.23 0.08 4.02 1.75 -0.61 -4.87 119.30 119.91 2wwp s MET 64 Ca 0.28 2.39 0.08 0.00 -1.25 0.00 0.00 55.69 57.19 2wwp s MET 64 Cb 0.07 -3.05 -0.03 0.00 2.84 0.00 0.00 34.83 34.66 2wwp s MET 64 CO 0.06 -0.42 -0.21 0.00 -0.65 0.00 0.00 175.02 173.80 2wwp s LYS 66 N -1.67 4.57 0.05 0.00 2.20 -1.25 -1.38 119.74 122.26 2wwp s LYS 66 Ca 0.07 1.19 0.08 0.00 -0.36 0.00 0.00 55.97 56.95 2wwp s LYS 66 Cb -0.10 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2wwp s LYS 66 CO 0.03 0.30 -0.24 -1.12 -0.36 0.00 0.00 175.35 173.97 2wwp s SER 67 N -0.20 2.86 -0.13 1.43 0.01 0.60 -1.95 113.70 116.32 2wwp s SER 67 Ca 0.40 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.12 2wwp s SER 67 Cb -0.22 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.78 2wwp s SER 67 CO 0.25 0.21 -0.22 -0.69 0.41 0.00 0.00 173.24 173.21 2wwp s VAL 68 N -0.82 2.01 -0.23 3.43 1.01 0.17 -0.41 120.40 125.56 2wwp s VAL 68 Ca 0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2wwp s VAL 68 Cb -0.09 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2wwp s VAL 68 CO 0.02 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.05 2wwp s VAL 69 N 0.78 4.56 0.07 2.92 1.01 0.64 -0.59 120.40 129.79 2wwp s VAL 69 Ca -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2wwp s VAL 69 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2wwp s VAL 69 CO -0.01 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.41 2wwp s ALA 70 N 1.19 0.68 0.43 5.51 0.00 -0.52 -0.20 121.76 128.85 2wwp s ALA 70 Ca 0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 2wwp s ALA 70 Cb -0.14 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 2wwp s ALA 70 CO 0.04 -0.22 1.31 -2.14 0.00 0.00 0.00 175.76 174.74 2wwp s PRO 71 N -3.19 3.85 0.10 0.00 0.02 -1.26 0.03 135.00 134.55 2wwp s PRO 71 Ca 0.03 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.22 2wwp s PRO 71 Cb 0.02 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 2wwp s PRO 71 CO -0.05 -0.59 0.24 0.00 -0.33 0.00 0.00 177.00 176.28 2wwp s ALA 72 N -1.29 3.99 0.37 -1.55 0.00 -0.51 -4.49 121.76 118.28 2wwp s ALA 72 Ca 0.59 -0.93 0.15 0.00 0.00 0.00 0.00 51.96 51.78 2wwp s ALA 72 Cb -0.38 -1.81 1.04 0.00 0.00 0.00 0.00 23.12 21.97 2wwp s ALA 72 CO 0.48 0.70 1.74 1.15 0.00 0.00 0.00 175.76 179.83 2wwp h THR 73 N 1.88 0.49 0.00 0.00 2.02 -1.95 -1.02 112.91 114.32 2wwp h THR 73 Ca -0.47 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2wwp h THR 73 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2wwp h THR 73 CO 0.73 0.08 0.00 -0.90 0.37 0.00 0.00 175.52 175.80 2wwp n ASP 74 N -4.76 0.00 0.00 4.18 5.68 -1.26 -4.84 116.55 115.55 2wwp n ASP 74 Ca 0.27 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2wwp n ASP 74 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2wwp n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wwp n GLY 75 N 0.50 1.39 0.00 6.12 0.00 -0.39 -4.70 105.19 108.11 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 1.48 3.01 -0.02 0.00 -1.25 -4.79 105.19 101.61 2wwp n GLY 76 Ca 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 2.06 -0.27 0.99 1.43 -0.16 -1.42 118.68 121.32 2wwp s LEU 77 Ca 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2wwp s LEU 77 Cb 0.00 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.84 2wwp s LEU 77 CO 0.00 0.03 0.20 0.20 0.23 0.00 0.00 176.35 177.02 2wwp s ASN 78 N -0.44 6.08 -0.36 2.29 0.01 0.10 -0.01 114.94 122.61 2wwp s ASN 78 Ca 0.01 0.07 -0.09 0.00 -0.71 0.00 0.00 52.86 52.13 2wwp s ASN 78 Cb -0.04 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.53 2wwp s ASN 78 CO -0.00 -0.03 0.15 -0.22 -1.51 0.00 0.00 177.10 175.50 2wwp s LEU 79 N 1.57 4.51 -0.25 0.60 2.96 0.01 -1.44 118.68 126.62 2wwp s LEU 79 Ca 0.08 -1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 52.88 2wwp s LEU 79 Cb -0.15 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 2wwp s LEU 79 CO 0.09 -0.35 0.02 -0.89 -1.32 0.00 0.00 176.35 173.89 2wwp s THR 80 N 1.48 3.66 0.14 3.68 2.01 0.24 -0.29 115.64 126.56 2wwp s THR 80 Ca 0.00 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 61.51 2wwp s THR 80 Cb -0.19 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2wwp s THR 80 CO 0.05 0.26 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.66 2wwp s SER 81 N 1.49 4.10 0.08 3.53 0.01 0.35 0.46 113.70 123.72 2wwp s SER 81 Ca 0.04 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.81 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 -0.00 0.15 -0.16 0.42 0.41 0.00 0.00 173.24 174.05 2wwp s THR 82 N -1.39 1.30 0.08 1.44 -4.23 -0.82 -1.01 115.64 111.01 2wwp s THR 82 Ca 0.21 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2wwp s THR 82 Cb -0.10 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.54 2wwp s THR 82 CO 0.13 -0.15 0.26 0.72 -0.54 0.00 0.00 174.62 175.04 2wwp s PHE 83 N -1.19 0.01 -0.03 3.99 -0.12 -0.84 -3.92 117.98 115.89 2wwp s PHE 83 Ca 0.01 -0.34 -0.17 0.00 -0.05 0.00 0.00 56.93 56.38 2wwp s PHE 83 Cb -0.10 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2wwp s PHE 83 CO 0.03 -0.56 0.49 -1.17 -0.05 0.00 0.00 175.22 173.96 2wwp s LEU 84 N -2.60 4.41 -0.05 -1.99 2.96 -1.26 -0.99 118.68 119.15 2wwp s LEU 84 Ca 0.01 0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 54.91 2wwp s LEU 84 Cb 0.02 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 44.02 2wwp s LEU 84 CO -0.09 0.18 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.51 2wwp s ARG 85 N -0.38 0.53 4.04 1.98 3.52 0.17 -4.95 118.95 123.84 2wwp s ARG 85 Ca 0.26 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2wwp s ARG 85 Cb -0.17 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.43 2wwp s ARG 85 CO 0.14 -0.22 0.00 1.63 -0.81 0.00 0.00 175.30 176.04 2wwp n LYS 86 N 4.69 0.00 -0.19 5.12 5.02 -1.26 -1.52 118.16 130.02 2wwp n LYS 86 Ca -0.15 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2wwp n LYS 86 Cb 0.50 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.69 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 9.30 3.05 -4.17 4.39 3.02 -1.26 -5.01 115.26 124.57 2wwp n ASN 87 Ca 0.00 -1.92 -0.16 0.00 -0.03 0.00 0.00 54.58 52.47 2wwp n ASN 87 Cb 0.00 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.06 0.84 -0.39 3.52 -2.07 -0.58 -5.12 119.66 114.81 2wwp s GLN 88 Ca 0.29 -1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 52.63 2wwp s GLN 88 Cb 0.16 -0.64 0.04 0.00 -1.09 0.00 0.00 33.01 31.48 2wwp s GLN 88 CO 0.21 0.12 0.23 0.00 -1.32 0.00 0.00 175.29 174.53 2wwp s GLU 90 N 1.53 4.47 -0.09 0.00 0.41 -0.16 -4.89 118.70 119.97 2wwp s GLU 90 Ca 0.02 1.23 0.04 0.00 -0.41 0.00 0.00 54.97 55.85 2wwp s GLU 90 Cb -0.20 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.44 2wwp s GLU 90 CO 0.06 0.24 -0.22 0.99 -0.49 0.00 0.00 175.26 175.83 2wwp s THR 91 N -1.71 2.23 -0.03 3.63 2.01 -1.26 -1.99 115.64 118.53 2wwp s THR 91 Ca 0.51 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2wwp s THR 91 Cb -0.17 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 2wwp s THR 91 CO 0.21 0.56 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.44 2wwp s ARG 92 N 0.14 1.32 -0.11 4.92 1.81 -0.18 -5.00 118.95 121.86 2wwp s ARG 92 Ca -0.12 -0.47 0.01 0.00 -1.72 0.00 0.00 55.73 53.43 2wwp s ARG 92 Cb -0.16 -1.20 -0.02 0.00 -0.45 0.00 0.00 34.95 33.12 2wwp s ARG 92 CO 0.07 0.21 -0.13 0.99 -0.68 0.00 0.00 175.30 175.76 2wwp s THR 93 N 0.02 3.13 -0.18 0.02 2.01 -1.26 -0.50 115.64 118.88 2wwp s THR 93 Ca -0.01 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2wwp s THR 93 Cb -0.09 -2.29 -0.00 0.00 0.01 0.00 0.00 72.50 70.13 2wwp s THR 93 CO 0.01 0.54 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.33 2wwp s MET 94 N -0.01 3.26 -0.25 4.92 -1.94 0.60 -4.95 119.30 120.93 2wwp s MET 94 Ca -0.03 -0.71 -0.25 0.00 -1.71 0.00 0.00 55.69 52.99 2wwp s MET 94 Cb -0.14 -2.77 -0.00 0.00 2.01 0.00 0.00 34.83 33.92 2wwp s MET 94 CO 0.04 -0.10 0.85 -1.17 -0.01 0.00 0.00 175.02 174.63 2wwp s LEU 95 N 1.13 4.08 -0.43 -0.03 2.96 -1.26 -0.81 118.68 124.31 2wwp s LEU 95 Ca 0.01 1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 2wwp s LEU 95 Cb -0.14 -3.22 0.08 0.00 0.50 0.00 0.00 46.19 43.40 2wwp s LEU 95 CO -0.04 -0.54 0.30 -0.76 -1.32 0.00 0.00 176.35 173.99 2wwp s LEU 96 N 2.89 5.29 0.22 -0.68 1.43 0.98 -4.54 118.68 124.28 2wwp s LEU 96 Ca 0.36 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 2wwp s LEU 96 Cb -0.15 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2wwp s LEU 96 CO 0.08 -0.57 0.83 -1.10 0.23 0.00 0.00 176.35 175.82 2wwp s GLN 97 N 1.49 4.56 0.45 1.70 -0.21 -0.06 -0.99 119.66 126.61 2wwp s GLN 97 Ca 0.03 1.20 -0.24 0.00 0.02 0.00 0.00 55.36 56.37 2wwp s GLN 97 Cb -0.23 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.60 2wwp s GLN 97 CO 0.03 0.46 1.27 -2.30 -2.12 0.00 0.00 175.29 172.64 2wwp n PRO 98 N 1.18 1.84 -0.04 2.91 -0.02 -1.26 -0.56 135.00 139.05 2wwp n PRO 98 Ca -0.03 0.66 0.03 0.00 -2.02 0.00 0.00 63.50 62.14 2wwp n PRO 98 Cb 0.49 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 -0.44 1.97 0.00 3.55 0.00 -0.84 -4.62 120.51 120.13 2wwp n ALA 99 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.15 2wwp n ALA 99 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.67 1.68 2.95 0.00 0.00 -1.26 -4.93 105.19 102.95 2wwp n GLY 100 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.49 0.16 0.12 1.61 0.01 -1.26 -5.10 113.70 107.76 2wwp s SER 101 Ca 0.00 -0.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.61 2wwp s SER 101 Cb 0.00 0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 2wwp s SER 101 CO 0.00 -0.21 1.71 -0.76 0.41 0.00 0.00 173.24 174.39 2wwp s LEU 102 N -1.00 4.38 0.00 2.44 1.43 -1.26 -1.15 118.68 123.52 2wwp s LEU 102 Ca -0.11 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2wwp s LEU 102 Cb -0.07 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2wwp s LEU 102 CO -0.01 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.25 2wwp n GLY 103 N 4.04 0.53 3.52 -3.19 0.00 -1.26 -4.72 105.19 104.11 2wwp n GLY 103 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.54 4.73 0.22 1.61 0.15 -0.30 -0.79 113.70 116.79 2wwp s SER 104 Ca 0.00 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.56 2wwp s SER 104 Cb 0.00 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 2wwp s SER 104 CO 0.00 0.22 0.05 -0.31 1.20 0.00 0.00 173.24 174.40 2wwp s TYR 105 N 0.05 1.39 0.00 3.44 2.02 0.16 -1.99 117.35 122.43 2wwp s TYR 105 Ca -0.01 -1.11 0.04 0.00 -0.37 0.00 0.00 57.07 55.63 2wwp s TYR 105 Cb -0.14 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2wwp s TYR 105 CO 0.03 -0.28 -0.14 -1.54 -1.57 0.00 0.00 175.55 172.05 2wwp s SER 106 N -3.25 1.62 -0.06 2.29 1.04 0.28 -1.10 113.70 114.52 2wwp s SER 106 Ca 0.32 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2wwp s SER 106 Cb 0.07 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.04 2wwp s SER 106 CO 0.09 0.14 -0.13 -0.47 0.98 0.00 0.00 173.24 173.85 2wwp s TYR 107 N -0.45 1.47 -0.22 5.02 5.04 0.38 -0.88 117.35 127.72 2wwp s TYR 107 Ca 0.04 -0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 54.10 2wwp s TYR 107 Cb -0.06 -1.06 -0.03 0.00 0.35 0.00 0.00 41.96 41.16 2wwp s TYR 107 CO -0.00 -0.25 0.03 0.50 -1.34 0.00 0.00 175.55 174.49 2wwp s ARG 108 N 0.52 3.64 -0.47 4.97 3.52 -1.26 -0.10 118.95 129.77 2wwp s ARG 108 Ca -0.12 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 2wwp s ARG 108 Cb -0.15 -3.17 0.12 0.00 -1.56 0.00 0.00 34.95 30.20 2wwp s ARG 108 CO 0.03 -0.05 0.32 0.45 -0.81 0.00 0.00 175.30 175.25 2wwp s SER 109 N 1.19 5.58 0.26 -2.12 0.15 0.36 -4.98 113.70 114.13 2wwp s SER 109 Ca 0.04 -2.02 -0.04 0.00 0.70 0.00 0.00 55.95 54.62 2wwp s SER 109 Cb -0.14 -1.96 0.33 0.00 -1.71 0.00 0.00 66.02 62.54 2wwp s SER 109 CO 0.02 -0.63 1.90 -0.65 1.20 0.00 0.00 173.24 175.08 2wwp h PRO 110 N 8.25 1.20 0.00 5.44 0.11 -1.97 -1.26 132.00 143.77 2wwp h PRO 110 Ca -0.17 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 2wwp h PRO 110 Cb 1.06 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2wwp h PRO 110 CO 0.81 0.79 -0.20 0.45 -0.21 0.00 0.00 178.00 179.64 2wwp h HIS 111 N 1.24 0.00 -0.39 0.65 3.86 -1.95 -2.20 115.15 116.35 2wwp h HIS 111 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2wwp h HIS 111 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 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 -3.90 0.51 -2.56 2.45 7.02 -0.99 -4.99 117.44 114.99 2wwp n TRP 112 Ca -0.02 -0.31 -0.12 0.00 -1.02 0.00 0.00 57.50 56.03 2wwp n TRP 112 Cb 0.29 -0.01 -0.00 0.00 -2.42 0.00 0.00 31.31 29.17 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 1.24 -0.50 3.18 6.99 0.00 -0.51 -4.50 105.19 111.09 2wwp n GLY 113 Ca 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.11 1.48 0.04 1.61 0.01 -1.07 -4.29 113.70 109.36 2wwp s SER 114 Ca 0.05 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.55 2wwp s SER 114 Cb -0.03 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 2wwp s SER 114 CO 0.06 -0.26 -0.16 -0.89 0.41 0.00 0.00 173.24 172.40 2wwp s THR 115 N -2.49 2.97 0.01 1.44 2.01 -0.74 -0.49 115.64 118.36 2wwp s THR 115 Ca 0.06 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 60.96 2wwp s THR 115 Cb -0.03 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 2wwp s THR 115 CO 0.00 0.33 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.85 2wwp s TYR 116 N -0.96 0.89 0.01 4.92 2.02 0.85 -0.56 117.35 124.52 2wwp s TYR 116 Ca 0.16 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.46 2wwp s TYR 116 Cb -0.11 -0.55 -0.06 0.00 -0.40 0.00 0.00 41.96 40.85 2wwp s TYR 116 CO 0.06 -0.01 0.40 -1.54 -1.57 0.00 0.00 175.55 172.90 2wwp s SER 117 N -0.67 6.79 -0.05 2.29 1.04 0.84 -0.47 113.70 123.47 2wwp s SER 117 Ca 0.01 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2wwp s SER 117 Cb -0.06 -2.24 0.02 0.00 0.10 0.00 0.00 66.02 63.85 2wwp s SER 117 CO 0.00 0.31 -0.03 -0.69 0.98 0.00 0.00 173.24 173.81 2wwp s VAL 118 N -1.12 0.49 -0.02 5.02 1.01 -0.26 -1.48 120.40 124.04 2wwp s VAL 118 Ca 0.25 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2wwp s VAL 118 Cb -0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2wwp s VAL 118 CO 0.14 0.24 -0.16 -0.44 0.00 0.00 0.00 175.10 174.88 2wwp s SER 119 N 1.28 1.91 -0.55 3.32 0.01 -0.58 0.40 113.70 119.49 2wwp s SER 119 Ca -0.05 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 2wwp s SER 119 Cb -0.14 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.77 2wwp s SER 119 CO -0.02 0.17 0.98 -0.69 0.41 0.00 0.00 173.24 174.08 2wwp s VAL 120 N -0.17 4.34 -0.02 3.43 1.01 0.03 -1.80 120.40 127.23 2wwp s VAL 120 Ca 0.02 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2wwp s VAL 120 Cb -0.08 -4.56 -0.30 0.00 0.00 0.00 0.00 36.38 31.44 2wwp s VAL 120 CO 0.00 -1.14 0.97 0.58 0.00 0.00 0.00 175.10 175.52 2wwp h VAL 121 N 6.04 1.45 -2.97 2.92 2.07 -0.70 -0.44 116.25 124.62 2wwp h VAL 121 Ca -0.26 -2.43 -0.16 0.00 0.82 0.00 0.00 66.70 64.67 2wwp h VAL 121 Cb 1.07 3.00 -0.27 0.00 -1.52 0.00 0.00 31.29 33.57 2wwp h VAL 121 CO 1.10 0.70 -0.39 -0.70 0.02 0.00 0.00 177.57 178.30 2wwp s GLU 122 N -2.69 0.31 -0.05 1.57 2.12 -1.13 -1.03 118.70 117.81 2wwp s GLU 122 Ca -0.13 0.50 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 2wwp s GLU 122 Cb 0.02 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.53 2wwp s GLU 122 CO 0.85 -0.09 0.58 -0.08 -0.54 0.00 0.00 175.26 175.97 2wwp s THR 123 N 0.63 0.02 -1.77 -1.70 -1.32 -1.26 -0.32 115.64 109.91 2wwp s THR 123 Ca -0.04 -0.13 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 2wwp s THR 123 Cb -0.05 -0.89 0.38 0.00 -1.51 0.00 0.00 72.50 70.43 2wwp s THR 123 CO -0.04 -0.07 1.30 -0.90 -2.21 0.00 0.00 174.62 172.70 2wwp n ASP 124 N 1.07 3.17 0.00 8.08 5.75 -1.14 -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 40.41 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 1.11 0.00 0.64 2.11 4.01 -1.25 -4.49 117.16 119.28 2wwp n TYR 125 Ca 0.16 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.01 2wwp n TYR 125 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.95 0.63 0.00 7.72 8.00 -1.26 -4.75 116.55 127.84 2wwp n ASP 126 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2wwp n ASP 126 Cb 0.00 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 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 -1.83 0.00 -3.99 -1.24 1.13 -1.26 -4.75 117.38 105.45 2wwp n GLN 127 Ca 0.02 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.99 2wwp n GLN 127 Cb 0.42 -0.20 -0.08 0.00 0.11 0.00 0.00 30.24 30.49 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 -1.97 0.45 -0.12 1.08 -0.85 -1.26 -0.29 117.35 114.39 2wwp s TYR 128 Ca 0.00 -0.84 -0.09 0.00 -0.52 0.00 0.00 57.07 55.61 2wwp s TYR 128 Cb 0.00 -0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.20 2wwp s TYR 128 CO 0.00 -0.61 0.30 0.00 -1.52 0.00 0.00 175.55 173.73 2wwp s ALA 129 N -3.96 -0.75 -0.25 9.51 0.00 -0.02 -2.86 121.76 123.44 2wwp s ALA 129 Ca 0.15 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2wwp s ALA 129 Cb 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2wwp s ALA 129 CO -0.03 -0.17 0.03 -0.51 0.00 0.00 0.00 175.76 175.08 2wwp s LEU 130 N 0.54 3.31 0.11 0.00 1.43 0.57 -0.97 118.68 123.66 2wwp s LEU 130 Ca -0.03 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2wwp s LEU 130 Cb -0.05 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2wwp s LEU 130 CO -0.03 -0.06 -0.14 -0.76 0.23 0.00 0.00 176.35 175.59 2wwp s LEU 131 N 1.54 2.87 -0.04 1.79 1.02 -0.29 -0.10 118.68 125.47 2wwp s LEU 131 Ca 0.05 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.75 2wwp s LEU 131 Cb -0.15 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.39 2wwp s LEU 131 CO 0.01 0.18 -0.05 -0.47 0.02 0.00 0.00 176.35 176.04 2wwp s TYR 132 N -1.17 0.71 0.04 0.29 5.04 -0.74 -1.11 117.35 120.40 2wwp s TYR 132 Ca 0.19 -0.18 0.06 0.00 -2.44 0.00 0.00 57.07 54.70 2wwp s TYR 132 Cb -0.11 -0.62 -0.02 0.00 0.35 0.00 0.00 41.96 41.56 2wwp s TYR 132 CO 0.12 -0.16 -0.16 -1.12 -1.34 0.00 0.00 175.55 172.88 2wwp s SER 133 N 0.77 1.93 -0.16 4.32 0.01 0.47 -1.53 113.70 119.52 2wwp s SER 133 Ca -0.10 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 2wwp s SER 133 Cb -0.13 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.01 2wwp s SER 133 CO 0.00 0.09 0.38 -1.58 0.41 0.00 0.00 173.24 172.54 2wwp s GLN 134 N -1.06 0.35 0.40 12.44 0.74 -0.55 -0.56 119.66 131.41 2wwp s GLN 134 Ca 0.04 0.75 -0.26 0.00 0.05 0.00 0.00 55.36 55.94 2wwp s GLN 134 Cb -0.08 -0.03 -0.11 0.00 1.10 0.00 0.00 33.01 33.89 2wwp s GLN 134 CO 0.01 -0.16 1.16 0.41 -0.55 0.00 0.00 175.29 176.16 2wwp n GLY 135 N 4.32 0.23 0.02 2.59 0.00 -0.49 -0.11 105.19 111.74 2wwp n GLY 135 Ca -0.23 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.47 3.81 -4.04 1.61 3.41 0.28 -4.74 113.62 114.41 2wwp n SER 136 Ca 0.08 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 2wwp n SER 136 Cb 0.38 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 2wwp n SER 136 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2wwp s LYS 137 N -2.07 0.47 0.80 4.33 0.00 -1.03 -4.90 119.74 117.34 2wwp s LYS 137 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 55.97 55.03 2wwp s LYS 137 Cb 0.01 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.95 2wwp s LYS 137 CO 0.09 -0.07 0.00 0.41 0.00 0.00 0.00 175.35 175.78 2wwp n GLY 138 N 0.91 -2.09 0.08 0.59 0.00 -1.26 -1.79 105.19 101.64 2wwp n GLY 138 Ca -0.19 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.48 2wwp n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wwp n PRO 139 N -0.40 0.10 -0.17 1.61 -0.04 -1.26 -1.76 135.00 133.09 2wwp n PRO 139 Ca 0.00 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 2wwp n PRO 139 Cb 0.01 -1.74 0.18 0.00 -0.04 0.00 0.00 33.50 31.91 2wwp n PRO 139 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wwp n GLY 140 N -0.53 0.59 0.37 0.55 0.00 -1.26 -4.51 105.19 100.40 2wwp n GLY 140 Ca 0.01 -0.38 0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 2.05 0.00 0.00 1.61 4.81 -1.52 -0.58 114.58 120.95 2wwp h GLU 141 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2wwp h GLU 141 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2wwp h GLU 141 CO 0.00 0.00 -0.34 0.22 -0.73 0.00 0.00 179.01 178.16 2wwp h ASP 142 N 0.00 0.00 -3.94 1.04 3.58 -1.85 -3.36 116.42 111.89 2wwp h ASP 142 Ca 0.22 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.14 2wwp h ASP 142 Cb 0.90 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.04 2wwp h ASP 142 CO -0.00 0.34 0.64 0.12 -2.88 0.00 0.00 179.24 177.45 2wwp s PHE 143 N -3.61 2.79 -0.05 0.28 5.36 -0.22 -4.82 117.98 117.70 2wwp s PHE 143 Ca 0.00 1.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 2wwp s PHE 143 Cb 0.11 -3.72 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 2wwp s PHE 143 CO 0.68 -2.22 0.14 1.03 -1.46 0.00 0.00 175.22 173.39 2wwp s ARG 144 N -2.20 0.16 -0.24 10.12 0.52 -1.26 -1.40 118.95 124.65 2wwp s ARG 144 Ca 0.56 0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 55.79 2wwp s ARG 144 Cb -0.39 0.07 0.07 0.00 0.52 0.00 0.00 34.95 35.21 2wwp s ARG 144 CO 0.51 -0.02 0.61 1.41 0.02 0.00 0.00 175.30 177.83 2wwp s MET 145 N 0.11 0.67 -0.08 3.54 1.75 0.27 -2.36 119.30 123.20 2wwp s MET 145 Ca -0.00 0.97 -0.00 0.00 -1.25 0.00 0.00 55.69 55.40 2wwp s MET 145 Cb -0.01 0.23 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 2wwp s MET 145 CO -0.00 -0.12 -0.05 0.00 -0.65 0.00 0.00 175.02 174.20 2wwp s ALA 146 N 0.91 3.06 -0.03 4.11 0.00 0.86 -0.39 121.76 130.29 2wwp s ALA 146 Ca -0.05 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2wwp s ALA 146 Cb -0.05 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 2wwp s ALA 146 CO -0.08 0.54 -0.14 0.99 0.00 0.00 0.00 175.76 177.07 2wwp s THR 147 N -0.69 1.14 -0.26 0.00 2.01 -0.27 -1.19 115.64 116.39 2wwp s THR 147 Ca 0.11 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 2wwp s THR 147 Cb -0.11 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2wwp s THR 147 CO 0.02 0.33 0.12 -0.22 -0.69 0.00 0.00 174.62 174.18 2wwp s LEU 148 N -0.06 3.72 -0.12 4.42 2.96 0.08 -1.14 118.68 128.53 2wwp s LEU 148 Ca -0.00 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2wwp s LEU 148 Cb -0.08 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2wwp s LEU 148 CO 0.01 -0.03 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.70 2wwp s TYR 149 N 1.58 3.12 0.04 5.38 1.51 -0.14 -0.56 117.35 128.27 2wwp s TYR 149 Ca 0.06 0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 2wwp s TYR 149 Cb -0.15 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 2wwp s TYR 149 CO 0.07 0.26 -0.16 0.45 -1.11 0.00 0.00 175.55 175.06 2wwp s SER 150 N -0.32 1.85 0.42 2.29 0.15 -0.24 -0.84 113.70 117.01 2wwp s SER 150 Ca 0.06 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.48 2wwp s SER 150 Cb -0.12 -0.13 0.72 0.00 -1.71 0.00 0.00 66.02 64.77 2wwp s SER 150 CO 0.02 0.07 1.74 0.03 1.20 0.00 0.00 173.24 176.30 2wwp h ARG 151 N 4.96 0.00 -6.06 5.44 2.47 -0.94 0.81 114.38 121.06 2wwp h ARG 151 Ca -0.39 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.77 2wwp h ARG 151 Cb 1.17 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.40 2wwp h ARG 151 CO 0.44 0.23 -0.57 0.95 0.56 0.00 0.00 179.97 181.58 2wwp s THR 152 N -3.46 2.86 -0.66 2.04 -4.23 -1.26 -4.76 115.64 106.17 2wwp s THR 152 Ca 0.02 -1.82 0.25 0.00 -1.18 0.00 0.00 61.69 58.97 2wwp s THR 152 Cb 0.09 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.31 2wwp s THR 152 CO 0.65 -0.19 1.76 0.00 -0.54 0.00 0.00 174.62 176.30 2wwp n GLN 153 N -1.06 0.24 -3.77 3.99 6.02 -1.26 -4.40 117.38 117.15 2wwp n GLN 153 Ca -0.04 0.28 -0.34 0.00 -0.01 0.00 0.00 57.00 56.89 2wwp n GLN 153 Cb 0.62 -1.83 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.17 3.53 0.27 5.09 -4.23 -1.26 -4.70 115.64 111.17 2wwp s THR 154 Ca 0.09 -3.40 -0.30 0.00 -1.18 0.00 0.00 61.69 56.90 2wwp s THR 154 Cb 0.11 -3.30 -0.10 0.00 1.34 0.00 0.00 72.50 70.55 2wwp s THR 154 CO 0.54 -0.92 1.47 -2.16 -0.54 0.00 0.00 174.62 173.00 2wwp s PRO 155 N -0.57 4.23 0.62 3.99 0.04 -1.26 -4.99 135.00 137.06 2wwp s PRO 155 Ca 0.20 2.37 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 2wwp s PRO 155 Cb -0.17 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2wwp s PRO 155 CO -0.06 -0.46 1.11 -0.98 0.04 0.00 0.00 177.00 176.65 2wwp s ARG 156 N -0.53 3.02 0.33 4.56 1.70 -1.26 -4.86 118.95 121.91 2wwp s ARG 156 Ca 0.59 1.44 0.07 0.00 -0.47 0.00 0.00 55.73 57.37 2wwp s ARG 156 Cb -0.43 -1.98 0.74 0.00 -0.57 0.00 0.00 34.95 32.72 2wwp s ARG 156 CO 0.45 -1.08 1.83 0.00 -1.08 0.00 0.00 175.30 175.42 2wwp h ALA 157 N 0.44 1.73 -0.62 7.88 0.00 -1.99 -1.19 119.26 125.51 2wwp h ALA 157 Ca -0.48 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2wwp h ALA 157 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2wwp h ALA 157 CO 0.55 -0.02 0.21 0.93 0.00 0.00 0.00 179.25 180.92 2wwp h GLU 158 N 0.78 0.92 -0.15 0.00 3.07 -1.99 -0.45 114.58 116.76 2wwp h GLU 158 Ca 0.50 -0.17 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 2wwp h GLU 158 Cb 0.74 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2wwp h GLU 158 CO -0.27 0.78 -0.57 1.25 -1.40 0.00 0.00 179.01 178.81 2wwp h LEU 159 N 0.90 0.51 -0.63 1.33 5.85 -1.61 0.05 115.31 121.72 2wwp h LEU 159 Ca 0.21 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2wwp h LEU 159 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2wwp h LEU 159 CO -0.01 0.97 -0.04 0.11 -0.34 0.00 0.00 178.44 179.13 2wwp h LYS 160 N 0.35 1.04 -0.70 1.25 1.57 -1.01 -0.74 116.57 118.34 2wwp h LYS 160 Ca 0.00 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2wwp h LYS 160 Cb 1.10 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 2wwp h LYS 160 CO 0.10 1.04 0.18 0.93 -0.57 0.00 0.00 179.45 181.13 2wwp h GLU 161 N 0.94 1.11 -0.28 3.15 5.08 -0.89 -0.69 114.58 123.00 2wwp h GLU 161 Ca 0.16 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2wwp h GLU 161 Cb 0.60 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2wwp h GLU 161 CO 0.04 0.98 0.16 -0.22 -1.00 0.00 0.00 179.01 178.97 2wwp h LYS 162 N 1.05 0.33 -0.58 2.33 3.64 -0.76 -1.20 116.57 121.38 2wwp h LYS 162 Ca 0.22 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2wwp h LYS 162 Cb 0.36 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2wwp h LYS 162 CO 0.00 0.22 0.10 0.35 -2.27 0.00 0.00 179.45 177.85 2wwp h PHE 163 N 0.34 1.01 -0.73 1.91 3.57 -0.98 0.13 116.94 122.19 2wwp h PHE 163 Ca 0.11 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2wwp h PHE 163 Cb -0.01 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 2wwp h PHE 163 CO -0.07 0.88 0.46 1.15 -2.23 0.00 0.00 178.31 178.50 2wwp h THR 164 N 0.85 1.20 -0.26 4.41 2.02 -0.97 -0.24 112.91 119.92 2wwp h THR 164 Ca 0.18 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 2wwp h THR 164 Cb 0.41 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2wwp h THR 164 CO 0.01 0.20 -0.38 0.00 0.37 0.00 0.00 175.52 175.73 2wwp h ALA 165 N 1.25 0.85 -0.08 6.16 0.00 -0.95 -2.09 119.26 124.40 2wwp h ALA 165 Ca 0.27 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wwp h ALA 165 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wwp h ALA 165 CO -0.05 0.64 0.01 0.35 0.00 0.00 0.00 179.25 180.20 2wwp h PHE 166 N 0.50 0.14 -0.54 0.00 3.57 -0.22 -1.24 116.94 119.15 2wwp h PHE 166 Ca 0.05 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2wwp h PHE 166 Cb 0.88 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2wwp h PHE 166 CO 0.04 0.34 0.31 0.00 -2.23 0.00 0.00 178.31 176.77 2wwp h LYS 168 N 0.62 0.62 -0.37 0.00 3.64 -1.28 -0.44 116.57 119.36 2wwp h LYS 168 Ca 0.22 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2wwp h LYS 168 Cb 0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2wwp h LYS 168 CO -0.11 0.41 0.25 0.00 -2.27 0.00 0.00 179.45 177.73 2wwp h ALA 169 N 1.39 1.79 -0.14 5.00 0.00 -0.42 -1.82 119.26 125.07 2wwp h ALA 169 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2wwp h ALA 169 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wwp h ALA 169 CO -0.23 0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.24 2wwp n GLN 170 N -4.48 1.45 -0.86 0.00 1.13 -0.26 -4.90 117.38 109.46 2wwp n GLN 170 Ca 0.03 -0.69 0.00 0.00 -1.94 0.00 0.00 57.00 54.40 2wwp n GLN 170 Cb 0.10 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.17 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 0.93 0.53 3.75 1.08 0.00 -0.68 -5.03 105.19 105.77 2wwp n GLY 171 Ca 0.12 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.75 0.53 1.61 0.08 -0.69 -5.01 117.98 116.24 2wwp s PHE 172 Ca 0.00 1.47 -0.07 0.00 0.12 0.00 0.00 56.93 58.45 2wwp s PHE 172 Cb 0.00 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 2wwp s PHE 172 CO 0.00 0.30 0.86 0.95 -0.10 0.00 0.00 175.22 177.23 2wwp s THR 173 N -0.15 4.71 0.43 0.64 -4.23 -1.26 -3.94 115.64 111.85 2wwp s THR 173 Ca 0.38 0.34 0.17 0.00 -1.18 0.00 0.00 61.69 61.40 2wwp s THR 173 Cb -0.21 -3.82 0.37 0.00 1.34 0.00 0.00 72.50 70.19 2wwp s THR 173 CO 0.23 -0.88 1.88 -0.08 -0.54 0.00 0.00 174.62 175.23 2wwp h GLU 174 N 0.04 0.39 0.00 3.99 4.57 -1.97 -1.81 114.58 119.79 2wwp h GLU 174 Ca -0.46 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2wwp h GLU 174 Cb 1.21 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2wwp h GLU 174 CO 0.62 0.26 -0.27 -0.44 -1.18 0.00 0.00 179.01 177.99 2wwp h ASP 175 N 0.40 0.00 0.22 1.04 3.32 -2.03 -2.81 116.42 116.57 2wwp h ASP 175 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2wwp h ASP 175 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2wwp h ASP 175 CO -0.15 0.27 -0.22 0.35 -1.72 0.00 0.00 179.24 177.77 2wwp n THR 176 N -3.63 0.00 -3.22 0.35 -2.24 -0.68 -4.87 114.28 99.99 2wwp n THR 176 Ca -0.01 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 2wwp n THR 176 Cb 0.39 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.45 5.10 -0.10 2.28 1.01 -1.06 -3.62 121.20 122.35 2wwp s ILE 177 Ca 0.26 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.96 2wwp s ILE 177 Cb 0.19 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2wwp s ILE 177 CO 0.50 0.19 -0.12 -0.69 0.00 0.00 0.00 174.94 174.82 2wwp s VAL 178 N 1.46 1.29 -0.11 2.92 1.01 0.94 -5.00 120.40 122.90 2wwp s VAL 178 Ca 0.26 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 2wwp s VAL 178 Cb -0.16 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2wwp s VAL 178 CO 0.10 0.40 0.52 -0.36 0.00 0.00 0.00 175.10 175.77 2wwp s PHE 179 N 1.16 3.52 -0.34 5.22 0.08 -1.26 -0.50 117.98 125.85 2wwp s PHE 179 Ca -0.04 0.96 -0.20 0.00 0.12 0.00 0.00 56.93 57.76 2wwp s PHE 179 Cb -0.14 -2.61 -0.00 0.00 -0.57 0.00 0.00 43.02 39.70 2wwp s PHE 179 CO -0.03 0.14 0.61 -0.51 -0.10 0.00 0.00 175.22 175.33 2wwp s LEU 180 N 0.70 4.25 0.28 -0.37 1.43 -0.04 -4.95 118.68 119.99 2wwp s LEU 180 Ca 0.28 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.26 2wwp s LEU 180 Cb -0.16 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 2wwp s LEU 180 CO 0.12 -0.54 1.15 -2.16 0.23 0.00 0.00 176.35 175.15 2wwp s PRO 181 N 2.62 4.57 0.17 1.29 0.04 -1.26 -4.18 135.00 138.24 2wwp s PRO 181 Ca 0.23 1.90 -0.33 0.00 0.04 0.00 0.00 61.00 62.84 2wwp s PRO 181 Cb -0.15 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.10 2wwp s PRO 181 CO 0.14 0.10 1.65 0.94 0.04 0.00 0.00 177.00 179.87 2wwp n GLN 182 N 1.21 2.40 0.00 4.56 7.27 -1.26 -1.58 117.38 129.98 2wwp n GLN 182 Ca -0.00 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.93 2wwp n GLN 182 Cb 0.44 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.42 2wwp n GLN 182 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54