#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 -0.59 0.11 1.61 0.15 -1.26 -5.18 113.70 108.54 2eef s SER 2 Ca 0.00 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.35 2eef s SER 2 Cb 0.00 1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 65.92 2eef s SER 2 CO 0.00 -0.11 0.07 -0.44 1.20 0.00 0.00 173.24 173.96 2eef s SER 3 N 2.54 0.31 0.18 5.45 0.01 -1.26 -5.18 113.70 115.75 2eef s SER 3 Ca -0.01 -1.08 -0.06 0.00 1.31 0.00 0.00 55.95 56.10 2eef s SER 3 Cb -0.07 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2eef s SER 3 CO -0.17 -0.71 0.24 -0.83 0.41 0.00 0.00 173.24 172.18 2eef s GLY 4 N -2.99 0.82 1.16 3.44 0.00 -1.26 -5.16 107.32 103.32 2eef s GLY 4 Ca 0.18 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2eef s GLY 4 CO -0.02 -1.03 1.03 -1.35 0.00 0.00 0.00 173.10 171.73 2eef s SER 5 N -3.04 0.97 -0.09 1.64 1.04 -1.26 -5.06 113.70 107.91 2eef s SER 5 Ca 0.25 1.63 -0.30 0.00 0.48 0.00 0.00 55.95 58.00 2eef s SER 5 Cb 0.04 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.90 2eef s SER 5 CO 0.05 -4.22 0.97 -0.55 0.98 0.00 0.00 173.24 170.47 2eef s SER 6 N -2.43 -0.34 0.00 7.02 0.15 -1.26 -5.16 113.70 111.68 2eef s SER 6 Ca 0.69 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2eef s SER 6 Cb -0.25 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2eef s SER 6 CO 0.65 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2eef n GLY 7 N 0.16 0.70 2.68 9.45 0.00 -1.26 -5.07 105.19 111.85 2eef n GLY 7 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -3.11 1.64 -0.28 4.61 0.00 -1.26 -4.96 121.76 118.40 2eef s ALA 8 Ca 0.00 -2.02 0.13 0.00 0.00 0.00 0.00 51.96 50.08 2eef s ALA 8 Cb 0.00 -1.71 0.48 0.00 0.00 0.00 0.00 23.12 21.89 2eef s ALA 8 CO 0.00 -1.87 1.15 0.39 0.00 0.00 0.00 175.76 175.43 2eef n GLU 9 N 4.27 2.84 -4.13 0.00 1.02 -1.26 -5.07 120.64 118.32 2eef n GLU 9 Ca 0.04 -3.91 -0.31 0.00 -0.02 0.00 0.00 57.16 52.96 2eef n GLU 9 Cb 0.39 -2.00 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 2eef n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2eef s SER 10 N -3.67 5.36 0.26 1.62 0.15 -1.26 -5.13 113.70 111.03 2eef s SER 10 Ca 0.41 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 57.14 2eef s SER 10 Cb 0.38 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 2eef s SER 10 CO 0.00 0.22 -0.00 -1.61 1.20 0.00 0.00 173.24 173.04 2eef s GLU 11 N -2.07 2.30 0.41 5.44 0.41 -1.26 -5.13 118.70 118.82 2eef s GLU 11 Ca 0.25 -1.39 -0.15 0.00 -0.41 0.00 0.00 54.97 53.27 2eef s GLU 11 Cb -0.12 -2.18 -0.08 0.00 -1.78 0.00 0.00 34.13 29.97 2eef s GLU 11 CO 0.17 0.37 0.85 -1.12 -0.49 0.00 0.00 175.26 175.04 2eef s SER 12 N -3.61 6.70 0.60 -0.19 0.01 -1.26 -4.94 113.70 111.01 2eef s SER 12 Ca 0.31 1.40 0.09 0.00 1.31 0.00 0.00 55.95 59.05 2eef s SER 12 Cb -0.07 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 63.83 2eef s SER 12 CO 0.20 -0.38 0.83 -0.36 0.41 0.00 0.00 173.24 173.93 2eef s PHE 13 N -2.29 1.36 0.22 2.43 0.40 -1.26 -2.33 117.98 116.51 2eef s PHE 13 Ca 0.56 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 56.14 2eef s PHE 13 Cb -0.10 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 2eef s PHE 13 CO 0.24 -1.26 0.29 0.14 0.70 0.00 0.00 175.22 175.33 2eef s VAL 14 N -2.74 0.00 -0.06 -0.44 -7.23 0.65 -4.55 120.40 106.03 2eef s VAL 14 Ca 0.63 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 2eef s VAL 14 Cb -0.05 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2eef s VAL 14 CO 0.40 0.00 0.38 -0.76 -0.31 0.00 0.00 175.10 174.81 2eef s LEU 15 N -3.10 4.39 -0.33 1.32 1.43 -1.26 -2.25 118.68 118.87 2eef s LEU 15 Ca 0.32 0.81 0.07 0.00 -1.03 0.00 0.00 54.13 54.30 2eef s LEU 15 Cb 0.03 -2.53 0.66 0.00 0.03 0.00 0.00 46.19 44.39 2eef s LEU 15 CO 0.11 0.23 1.75 -0.67 0.23 0.00 0.00 176.35 178.00 2eef n ASP 16 N 2.50 4.31 -3.90 2.29 -0.08 -1.15 -4.90 116.55 115.61 2eef n ASP 16 Ca -0.13 -3.21 -0.11 0.00 -1.51 0.00 0.00 54.79 49.83 2eef n ASP 16 Cb 0.52 -0.75 -0.11 0.00 2.34 0.00 0.00 41.12 43.12 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -2.82 0.09 0.40 -0.67 -0.12 -1.26 -4.94 117.98 108.65 2eef s PHE 17 Ca 0.51 -0.20 -0.23 0.00 -0.05 0.00 0.00 56.93 56.96 2eef s PHE 17 Cb 0.41 -0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.63 2eef s PHE 17 CO 0.12 -0.21 1.00 -1.54 -0.05 0.00 0.00 175.22 174.53 2eef s SER 18 N -1.16 6.88 0.33 1.98 1.04 -1.26 -4.99 113.70 116.52 2eef s SER 18 Ca -0.13 1.91 -0.29 0.00 0.48 0.00 0.00 55.95 57.92 2eef s SER 18 Cb -0.07 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.36 2eef s SER 18 CO 0.00 -0.40 1.57 -1.10 0.98 0.00 0.00 173.24 174.29 2eef s GLN 19 N -2.63 4.10 0.15 4.02 -1.52 -1.26 -4.92 119.66 117.60 2eef s GLN 19 Ca 0.58 2.60 -0.10 0.00 -1.95 0.00 0.00 55.36 56.49 2eef s GLN 19 Cb -0.18 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.59 2eef s GLN 19 CO 0.23 -0.62 1.48 -1.00 -0.25 0.00 0.00 175.29 175.13 2eef h PRO 20 N 4.09 0.92 -0.78 2.91 0.13 -1.81 -3.09 132.00 134.37 2eef h PRO 20 Ca -0.49 -0.49 0.14 0.00 -0.87 0.00 0.00 66.00 64.30 2eef h PRO 20 Cb 1.23 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2eef h PRO 20 CO 0.73 1.14 0.52 1.03 -0.23 0.00 0.00 178.00 181.19 2eef h SER 21 N 0.75 0.47 -0.70 1.44 0.87 -1.65 -2.50 113.55 112.24 2eef h SER 21 Ca 0.06 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.82 2eef h SER 21 Cb 0.98 -0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 62.74 2eef h SER 21 CO 0.10 0.24 -0.03 0.00 -0.53 0.00 0.00 176.83 176.60 2eef n ALA 22 N -2.50 0.31 -3.47 6.23 0.00 -1.17 -2.86 120.51 117.05 2eef n ALA 22 Ca 0.15 0.75 -0.43 0.00 0.00 0.00 0.00 53.44 53.92 2eef n ALA 22 Cb 0.50 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -5.05 5.94 0.15 0.00 1.01 -0.94 -4.95 116.67 112.84 2eef s ASP 23 Ca -0.09 -2.05 -0.17 0.00 0.71 0.00 0.00 52.55 50.95 2eef s ASP 23 Cb 0.20 -2.08 0.06 0.00 1.01 0.00 0.00 42.92 42.12 2eef s ASP 23 CO 0.55 -0.70 1.72 0.22 0.21 0.00 0.00 175.17 177.17 2eef h TYR 24 N 8.38 0.08 0.40 4.23 3.20 -1.78 0.29 116.97 131.78 2eef h TYR 24 Ca -0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 2eef h TYR 24 Cb 1.07 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2eef h TYR 24 CO 0.72 -0.00 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.97 2eef h LEU 25 N 0.16 -0.46 -1.78 2.82 -0.00 -1.92 0.31 115.31 114.45 2eef h LEU 25 Ca 0.16 0.02 0.17 0.00 -0.00 0.00 0.00 57.88 58.23 2eef h LEU 25 Cb 0.19 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2eef h LEU 25 CO -0.23 -0.21 0.63 -0.78 -0.00 0.00 0.00 178.44 177.85 2eef h ASP 26 N -0.77 0.00 0.00 -0.43 1.82 -1.94 -0.99 116.42 114.11 2eef h ASP 26 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2eef h ASP 26 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2eef h ASP 26 CO 0.09 0.00 -0.01 0.15 -1.61 0.00 0.00 179.24 177.86 2eef h PHE 27 N 0.00 0.00 -1.01 0.28 3.04 -0.30 -3.34 116.94 115.61 2eef h PHE 27 Ca 0.27 0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.51 2eef h PHE 27 Cb 1.53 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 39.90 2eef h PHE 27 CO 0.00 0.00 0.58 0.07 -2.02 0.00 0.00 178.31 176.94 2eef h ARG 28 N -0.73 0.41 -0.91 1.11 0.11 -0.28 0.60 114.38 114.70 2eef h ARG 28 Ca 0.00 -0.02 0.22 0.00 0.10 0.00 0.00 59.98 60.27 2eef h ARG 28 Cb 0.01 -0.09 -0.06 0.00 1.11 0.00 0.00 29.97 30.93 2eef h ARG 28 CO 0.00 0.27 0.61 -0.91 0.10 0.00 0.00 179.97 180.04 2eef h ASN 29 N 0.43 0.35 0.84 0.08 2.35 -1.34 0.23 115.58 118.52 2eef h ASN 29 Ca 0.70 0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 56.25 2eef h ASN 29 Cb 1.50 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.83 2eef h ASN 29 CO -0.55 0.13 -1.14 0.03 -1.65 0.00 0.00 177.43 174.25 2eef h ARG 30 N 0.34 0.08 0.00 0.81 2.47 0.08 -2.62 114.38 115.55 2eef h ARG 30 Ca 0.47 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 2eef h ARG 30 Cb 1.28 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2eef h ARG 30 CO -0.16 1.03 0.00 -0.11 0.56 0.00 0.00 179.97 181.29 2eef n LEU 31 N -3.38 0.66 -0.06 3.04 7.94 0.62 0.08 117.00 125.90 2eef n LEU 31 Ca -0.04 0.61 -0.00 0.00 -1.11 0.00 0.00 56.01 55.46 2eef n LEU 31 Cb 0.97 -0.45 -0.16 0.00 0.53 0.00 0.00 43.42 44.31 2eef n LEU 31 CO 0.49 -0.34 -0.97 1.67 -1.11 0.00 0.00 177.39 177.13 2eef n GLN 32 N -2.16 0.68 -0.06 1.96 7.27 -0.04 -2.29 117.38 122.73 2eef n GLN 32 Ca 0.04 -0.09 -0.07 0.00 0.07 0.00 0.00 57.00 56.95 2eef n GLN 32 Cb 0.33 -1.52 -0.15 0.00 2.41 0.00 0.00 30.24 31.30 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.52 1.64 0.32 1.69 0.00 -0.99 -4.41 120.51 116.24 2eef n ALA 33 Ca -0.20 -1.06 0.06 0.00 0.00 0.00 0.00 53.44 52.24 2eef n ALA 33 Cb 0.89 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.80 1.23 -1.55 0.00 -0.08 0.11 -4.99 116.55 108.47 2eef n ASP 34 Ca -0.24 -0.47 -0.16 0.00 -1.51 0.00 0.00 54.79 52.40 2eef n ASP 34 Cb 1.06 1.21 -0.04 0.00 2.34 0.00 0.00 41.12 45.68 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -1.51 -0.39 -3.64 -0.67 8.25 -0.97 -4.82 115.22 111.47 2eef n HIS 35 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 2eef n HIS 35 Cb 0.22 -3.07 -0.06 0.00 1.12 0.00 0.00 29.99 28.20 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.71 0.00 -0.29 1.59 0.11 -1.24 -3.28 120.40 114.58 2eef s VAL 36 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 2eef s VAL 36 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2eef s VAL 36 CO 0.00 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 172.91 2eef s LEU 38 N 0.22 4.45 -0.03 0.00 2.96 -1.26 -0.86 118.68 124.16 2eef s LEU 38 Ca 0.04 1.98 -0.01 0.00 -0.22 0.00 0.00 54.13 55.92 2eef s LEU 38 Cb -0.05 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2eef s LEU 38 CO -0.09 -0.26 -0.02 -0.08 -1.32 0.00 0.00 176.35 174.58 2eef h GLU 39 N 5.78 0.00 -4.32 1.98 4.81 -1.62 -3.39 114.58 117.82 2eef h GLU 39 Ca -0.43 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.47 2eef h GLU 39 Cb 1.21 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.31 2eef h GLU 39 CO 0.75 0.00 -0.76 0.54 -0.73 0.00 0.00 179.01 178.81 2eef s ASN 40 N -3.75 0.65 -0.05 1.04 4.22 -1.24 -2.26 114.94 113.55 2eef s ASN 40 Ca -0.01 -0.10 0.00 0.00 -2.14 0.00 0.00 52.86 50.61 2eef s ASN 40 Cb 0.00 -0.09 0.02 0.00 1.28 0.00 0.00 41.25 42.47 2eef s ASN 40 CO 0.02 0.06 -0.02 0.00 -2.04 0.00 0.00 177.10 175.12 2eef s VAL 42 N 1.21 2.48 -0.14 0.00 -7.23 0.70 -4.99 120.40 112.42 2eef s VAL 42 Ca -0.07 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 57.94 2eef s VAL 42 Cb -0.14 -2.65 0.04 0.00 0.56 0.00 0.00 36.38 34.20 2eef s VAL 42 CO -0.02 -0.24 0.00 -0.22 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 43 N -3.63 1.05 0.00 1.32 0.20 -1.26 -2.15 118.68 114.21 2eef s LEU 43 Ca 0.33 -0.51 -0.03 0.00 0.69 0.00 0.00 54.13 54.61 2eef s LEU 43 Cb -0.00 -0.61 0.09 0.00 -0.43 0.00 0.00 46.19 45.23 2eef s LEU 43 CO 0.17 -0.24 0.56 0.29 -0.29 0.00 0.00 176.35 176.85 2eef n LYS 44 N 5.05 -0.01 0.00 1.98 4.01 0.30 -4.89 118.16 124.59 2eef n LYS 44 Ca -0.09 -1.29 0.00 0.00 -0.51 0.00 0.00 58.31 56.42 2eef n LYS 44 Cb 0.48 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.56 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2eef n ASP 45 N -3.09 0.00 -1.66 4.39 5.75 -1.26 -3.66 116.55 117.02 2eef n ASP 45 Ca 0.08 0.87 -0.15 0.00 -0.01 0.00 0.00 54.79 55.59 2eef n ASP 45 Cb 0.30 -0.37 0.07 0.00 -1.03 0.00 0.00 41.12 40.09 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2eef n LYS 46 N -2.20 2.95 -3.84 0.11 4.01 -1.26 -4.59 118.16 113.35 2eef n LYS 46 Ca 0.00 -3.88 -0.06 0.00 -0.51 0.00 0.00 58.31 53.85 2eef n LYS 46 Cb 0.00 -2.04 -0.01 0.00 -0.51 0.00 0.00 35.03 32.46 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2eef s ALA 47 N -3.46 -1.26 0.17 7.82 0.00 -1.24 0.01 121.76 123.80 2eef s ALA 47 Ca 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 2eef s ALA 47 Cb 0.40 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 2eef s ALA 47 CO 0.00 -1.04 0.10 0.96 0.00 0.00 0.00 175.76 175.78 2eef s ILE 48 N -3.63 0.06 -0.28 0.00 -4.36 -0.09 0.11 121.20 113.01 2eef s ILE 48 Ca 0.12 -1.96 -0.16 0.00 -0.26 0.00 0.00 60.65 58.39 2eef s ILE 48 Cb -0.05 -2.30 0.09 0.00 1.25 0.00 0.00 42.46 41.45 2eef s ILE 48 CO 0.07 -0.21 0.73 0.00 0.24 0.00 0.00 174.94 175.77 2eef s ALA 49 N -4.10 -1.95 -0.01 2.27 0.00 -0.92 -3.03 121.76 114.03 2eef s ALA 49 Ca 0.32 2.39 -0.24 0.00 0.00 0.00 0.00 51.96 54.43 2eef s ALA 49 Cb 0.07 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.76 2eef s ALA 49 CO 0.08 -0.40 0.54 0.20 0.00 0.00 0.00 175.76 176.18 2eef s GLY 50 N 1.65 -0.43 -0.16 0.00 0.00 -0.94 -0.22 107.32 107.22 2eef s GLY 50 Ca -0.10 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2eef s GLY 50 CO -0.19 0.54 -0.04 -0.51 0.00 0.00 0.00 173.10 172.90 2eef s THR 51 N -1.69 3.89 -0.13 0.90 -4.23 -0.63 -1.04 115.64 112.71 2eef s THR 51 Ca -0.09 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2eef s THR 51 Cb -0.01 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2eef s THR 51 CO 0.04 0.49 0.04 -0.69 -0.54 0.00 0.00 174.62 173.97 2eef s VAL 52 N 0.38 4.64 0.16 2.29 1.01 -0.34 -1.48 120.40 127.06 2eef s VAL 52 Ca -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2eef s VAL 52 Cb -0.14 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2eef s VAL 52 CO 0.03 0.55 0.28 -0.75 0.00 0.00 0.00 175.10 175.21 2eef s LYS 53 N -0.38 3.40 0.14 2.72 2.47 -0.03 -1.43 119.74 126.63 2eef s LYS 53 Ca 0.09 -0.64 -0.11 0.00 -1.56 0.00 0.00 55.97 53.74 2eef s LYS 53 Cb -0.12 -2.93 0.01 0.00 -1.46 0.00 0.00 37.83 33.32 2eef s LYS 53 CO 0.02 0.51 0.32 0.14 0.16 0.00 0.00 175.35 176.49 2eef s VAL 54 N -1.77 0.08 0.20 4.02 -7.23 -1.24 -2.14 120.40 112.31 2eef s VAL 54 Ca 0.34 -1.09 -0.24 0.00 -1.81 0.00 0.00 61.98 59.18 2eef s VAL 54 Cb -0.11 -1.55 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 2eef s VAL 54 CO 0.28 -0.36 0.79 -1.10 -0.31 0.00 0.00 175.10 174.40 2eef s GLN 55 N -3.90 4.52 -0.79 4.82 -1.52 -1.21 -4.37 119.66 117.23 2eef s GLN 55 Ca 0.10 1.14 -0.07 0.00 -1.95 0.00 0.00 55.36 54.57 2eef s GLN 55 Cb 0.03 -3.14 -0.14 0.00 -0.22 0.00 0.00 33.01 29.54 2eef s GLN 55 CO -0.05 0.51 3.20 0.27 -0.25 0.00 0.00 175.29 178.96 2eef n ASN 56 N 1.31 6.97 0.06 5.90 0.23 -1.26 -4.53 115.26 123.94 2eef n ASN 56 Ca -0.04 -2.63 -0.11 0.00 -0.53 0.00 0.00 54.58 51.27 2eef n ASN 56 Cb 0.49 -1.46 -0.08 0.00 -2.08 0.00 0.00 39.78 36.66 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2eef h LEU 57 N 5.76 -0.20 -8.80 -4.53 3.38 -1.97 -3.47 115.31 105.48 2eef h LEU 57 Ca 0.52 -0.34 -0.39 0.00 0.09 0.00 0.00 57.88 57.76 2eef h LEU 57 Cb 0.87 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 2eef h LEU 57 CO 1.00 0.34 -0.71 0.00 0.09 0.00 0.00 178.44 179.15 2eef s ALA 58 N -3.82 1.77 0.03 1.53 0.00 -1.26 -5.05 121.76 114.95 2eef s ALA 58 Ca -0.13 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 2eef s ALA 58 Cb 0.01 0.05 -0.17 0.00 0.00 0.00 0.00 23.12 23.01 2eef s ALA 58 CO 0.48 -0.05 1.37 0.74 0.00 0.00 0.00 175.76 178.31 2eef h PHE 59 N 2.63 -0.56 -3.00 0.00 -1.00 -1.97 -3.43 116.94 109.61 2eef h PHE 59 Ca -0.38 -0.01 -0.52 0.00 2.81 0.00 0.00 57.97 59.87 2eef h PHE 59 Cb 1.21 0.19 0.06 0.00 3.61 0.00 0.00 35.95 41.02 2eef h PHE 59 CO 0.67 -0.26 0.92 -1.83 -1.61 0.00 0.00 178.31 176.20 2eef s GLU 60 N -5.19 4.15 -0.10 1.51 -1.05 -1.26 -5.00 118.70 111.76 2eef s GLU 60 Ca -0.15 2.52 -0.08 0.00 -0.15 0.00 0.00 54.97 57.11 2eef s GLU 60 Cb 0.03 -3.07 0.03 0.00 -0.44 0.00 0.00 34.13 30.67 2eef s GLU 60 CO 0.56 -0.65 0.25 0.15 0.95 0.00 0.00 175.26 176.52 2eef s LYS 61 N 0.43 0.28 -0.42 -4.83 1.02 -1.26 -4.60 119.74 110.36 2eef s LYS 61 Ca 0.68 0.40 0.02 0.00 0.02 0.00 0.00 55.97 57.08 2eef s LYS 61 Cb -0.47 0.08 0.13 0.00 -0.52 0.00 0.00 37.83 37.05 2eef s LYS 61 CO 0.38 -0.06 0.22 0.99 -0.92 0.00 0.00 175.35 175.96 2eef s THR 62 N 0.40 1.16 -0.14 2.17 2.01 -0.87 -5.02 115.64 115.36 2eef s THR 62 Ca -0.02 -2.34 -0.14 0.00 0.31 0.00 0.00 61.69 59.50 2eef s THR 62 Cb -0.04 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2eef s THR 62 CO -0.02 -0.90 0.33 -0.69 -0.69 0.00 0.00 174.62 172.65 2eef s VAL 63 N 0.56 5.27 -0.11 3.82 1.01 -1.26 -2.27 120.40 127.42 2eef s VAL 63 Ca 0.17 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.70 2eef s VAL 63 Cb -0.24 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2eef s VAL 63 CO -0.01 0.40 0.27 -0.54 0.00 0.00 0.00 175.10 175.22 2eef s LYS 64 N 0.33 0.27 -0.19 2.72 1.02 -0.87 -2.56 119.74 120.47 2eef s LYS 64 Ca 0.18 0.48 -0.07 0.00 0.02 0.00 0.00 55.97 56.59 2eef s LYS 64 Cb -0.14 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 2eef s LYS 64 CO 0.06 -0.11 0.06 0.42 -0.92 0.00 0.00 175.35 174.86 2eef s ILE 65 N 0.80 4.75 -0.20 2.17 -1.09 -0.70 -2.10 121.20 124.83 2eef s ILE 65 Ca -0.05 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.29 2eef s ILE 65 Cb -0.07 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.66 2eef s ILE 65 CO -0.05 0.45 -0.06 0.00 -1.23 0.00 0.00 174.94 174.06 2eef s ARG 66 N 0.44 3.41 -0.08 2.79 1.70 -1.07 -2.04 118.95 124.11 2eef s ARG 66 Ca 0.03 -0.62 0.05 0.00 -0.47 0.00 0.00 55.73 54.72 2eef s ARG 66 Cb -0.13 -2.94 -0.01 0.00 -0.57 0.00 0.00 34.95 31.31 2eef s ARG 66 CO 0.01 -0.09 -0.24 1.41 -1.08 0.00 0.00 175.30 175.30 2eef s MET 67 N 1.20 2.82 0.30 3.89 1.75 -1.25 -1.63 119.30 126.38 2eef s MET 67 Ca 0.02 -0.89 0.10 0.00 -1.25 0.00 0.00 55.69 53.68 2eef s MET 67 Cb -0.14 -2.24 -0.05 0.00 2.84 0.00 0.00 34.83 35.23 2eef s MET 67 CO -0.01 0.28 -0.05 -0.08 -0.65 0.00 0.00 175.02 174.50 2eef s THR 68 N 0.10 2.86 0.00 10.11 -1.32 -0.45 -3.66 115.64 123.29 2eef s THR 68 Ca -0.12 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 2eef s THR 68 Cb -0.16 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 2eef s THR 68 CO 0.06 -0.31 0.21 0.49 -2.21 0.00 0.00 174.62 172.86 2eef n PHE 69 N -0.84 0.00 -3.45 9.09 3.72 -1.26 -3.27 117.46 121.45 2eef n PHE 69 Ca -0.05 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.08 2eef n PHE 69 Cb 0.61 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.05 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.20 0.57 -4.00 4.37 9.92 -1.22 -4.45 116.55 121.54 2eef n ASP 70 Ca 0.00 -2.66 -0.31 0.00 -0.53 0.00 0.00 54.79 51.29 2eef n ASP 70 Cb 0.06 -0.61 -0.04 0.00 -0.64 0.00 0.00 41.12 39.89 2eef n ASP 70 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2eef n THR 71 N 2.26 -1.36 -3.87 -3.53 -2.24 -0.98 0.12 114.28 104.69 2eef n THR 71 Ca 0.26 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2eef n THR 71 Cb 0.46 -1.23 0.01 0.00 -2.10 0.00 0.00 70.33 67.47 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2eef n TRP 72 N -4.08 -1.88 -0.13 4.78 7.02 -1.26 -4.90 117.44 116.98 2eef n TRP 72 Ca -0.19 0.82 -0.27 0.00 -1.02 0.00 0.00 57.50 56.83 2eef n TRP 72 Cb 0.52 -3.99 -0.09 0.00 -2.42 0.00 0.00 31.31 25.33 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.40 0.57 -3.65 -0.99 4.76 0.32 -4.88 118.16 109.89 2eef n LYS 73 Ca -0.22 0.25 -0.29 0.00 -2.87 0.00 0.00 58.31 55.18 2eef n LYS 73 Cb 0.64 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 32.23 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2eef s SER 74 N -7.30 3.55 0.49 4.39 0.15 -1.26 -5.06 113.70 108.66 2eef s SER 74 Ca -0.37 -2.25 0.05 0.00 0.70 0.00 0.00 55.95 54.08 2eef s SER 74 Cb 0.14 -0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2eef s SER 74 CO 0.48 -0.32 0.20 -0.72 1.20 0.00 0.00 173.24 174.08 2eef s TYR 75 N 0.88 2.05 0.02 3.44 -0.85 -1.26 -4.39 117.35 117.24 2eef s TYR 75 Ca 0.16 -0.78 0.02 0.00 -0.52 0.00 0.00 57.07 55.95 2eef s TYR 75 Cb -0.22 -1.84 -0.02 0.00 0.38 0.00 0.00 41.96 40.26 2eef s TYR 75 CO -0.06 -0.02 -0.08 0.99 -1.52 0.00 0.00 175.55 174.86 2eef s THR 76 N -2.74 0.57 -0.39 -3.49 2.01 -1.24 -5.02 115.64 105.34 2eef s THR 76 Ca 0.28 -0.71 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 2eef s THR 76 Cb 0.01 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.98 2eef s THR 76 CO 0.16 -0.12 0.80 -1.81 -0.69 0.00 0.00 174.62 172.97 2eef s ASP 77 N -0.91 6.53 -0.22 3.53 1.11 -1.26 -3.82 116.67 121.63 2eef s ASP 77 Ca -0.03 0.27 -0.08 0.00 0.18 0.00 0.00 52.55 52.88 2eef s ASP 77 Cb -0.06 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 2eef s ASP 77 CO 0.00 -0.80 0.09 -0.36 1.18 0.00 0.00 175.17 175.29 2eef s PHE 78 N 3.20 3.20 0.36 4.23 0.08 -0.86 -4.99 117.98 123.20 2eef s PHE 78 Ca 0.32 -0.07 -0.27 0.00 0.12 0.00 0.00 56.93 57.03 2eef s PHE 78 Cb -0.13 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.04 2eef s PHE 78 CO 0.19 -0.06 1.21 -1.25 -0.10 0.00 0.00 175.22 175.20 2eef s PRO 79 N 1.03 4.23 0.06 0.24 0.04 -1.26 -1.72 135.00 137.62 2eef s PRO 79 Ca 0.05 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 2eef s PRO 79 Cb -0.14 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2eef s PRO 79 CO 0.03 -0.20 0.24 0.00 0.04 0.00 0.00 177.00 177.11 2eef n GLN 81 N 0.48 0.37 -4.45 0.00 10.64 0.10 -4.87 117.38 119.64 2eef n GLN 81 Ca -0.06 -2.59 -0.34 0.00 -1.83 0.00 0.00 57.00 52.18 2eef n GLN 81 Cb 0.52 -0.37 -0.13 0.00 -0.86 0.00 0.00 30.24 29.40 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 2eef s TYR 82 N -2.37 2.92 -0.39 2.61 5.04 -1.26 -1.92 117.35 121.98 2eef s TYR 82 Ca 0.55 -0.59 -0.20 0.00 -2.44 0.00 0.00 57.07 54.40 2eef s TYR 82 Cb -0.04 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.34 2eef s TYR 82 CO 0.36 -0.23 0.59 0.08 -1.34 0.00 0.00 175.55 175.02 2eef s VAL 83 N 0.61 4.91 -0.61 3.14 1.01 -0.86 -4.92 120.40 123.68 2eef s VAL 83 Ca -0.05 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2eef s VAL 83 Cb -0.15 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 32.24 2eef s VAL 83 CO 0.03 -0.40 0.75 -0.75 0.00 0.00 0.00 175.10 174.73 2eef s LYS 84 N 2.63 3.06 0.09 2.72 2.20 -1.26 -4.69 119.74 124.49 2eef s LYS 84 Ca 0.21 -1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 54.41 2eef s LYS 84 Cb -0.15 -4.26 0.04 0.00 -1.51 0.00 0.00 37.83 31.94 2eef s LYS 84 CO 0.16 -1.59 0.41 0.34 -0.36 0.00 0.00 175.35 174.31 2eef s ASP 85 N 3.64 -0.26 0.37 1.43 2.15 -1.26 -5.03 116.67 117.70 2eef s ASP 85 Ca 0.13 -0.18 0.19 0.00 0.43 0.00 0.00 52.55 53.12 2eef s ASP 85 Cb -0.23 0.46 1.19 0.00 -0.30 0.00 0.00 42.92 44.04 2eef s ASP 85 CO 0.07 -0.78 1.65 0.74 -0.17 0.00 0.00 175.17 176.68 2eef h THR 86 N 2.61 0.23 -0.26 1.71 2.02 -2.02 0.57 112.91 117.77 2eef h THR 86 Ca -0.33 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.60 2eef h THR 86 Cb 1.24 -0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 2eef h THR 86 CO 0.45 0.04 0.22 0.00 0.37 0.00 0.00 175.52 176.61 2eef n TYR 87 N -5.00 0.83 -3.65 3.16 9.36 -1.26 -4.51 117.16 116.09 2eef n TYR 87 Ca 0.33 -1.47 -0.09 0.00 3.32 0.00 0.00 57.90 59.99 2eef n TYR 87 Cb 1.11 -0.72 -0.08 0.00 -0.63 0.00 0.00 39.34 39.02 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2eef s ALA 88 N -0.97 -1.73 0.00 2.98 0.00 0.20 -4.76 121.76 117.48 2eef s ALA 88 Ca 0.17 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.31 2eef s ALA 88 Cb 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2eef s ALA 88 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2eef n GLY 89 N 3.88 2.10 0.14 0.00 0.00 -0.57 -4.53 105.19 106.20 2eef n GLY 89 Ca -0.19 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2eef n GLY 89 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eef h SER 90 N 0.00 0.38 0.00 1.61 0.87 -1.88 -3.41 113.55 111.12 2eef h SER 90 Ca 0.00 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 60.03 2eef h SER 90 Cb 0.00 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2eef h SER 90 CO 0.00 0.73 -1.05 0.47 -0.53 0.00 0.00 176.83 176.45 2eef n ASP 91 N -4.59 1.49 -3.79 6.23 9.92 -1.26 -5.09 116.55 119.46 2eef n ASP 91 Ca -0.06 0.24 -0.10 0.00 -0.53 0.00 0.00 54.79 54.34 2eef n ASP 91 Cb 0.33 -0.56 -0.07 0.00 -0.64 0.00 0.00 41.12 40.18 2eef n ASP 91 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2eef s ARG 92 N -2.48 0.85 0.27 -1.24 0.52 -1.26 -4.98 118.95 110.63 2eef s ARG 92 Ca -0.20 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 2eef s ARG 92 Cb 0.05 0.36 -0.09 0.00 0.52 0.00 0.00 34.95 35.78 2eef s ARG 92 CO 0.28 -0.28 0.94 -0.51 0.02 0.00 0.00 175.30 175.75 2eef s ASP 93 N -2.53 7.55 -0.21 0.23 1.01 -1.26 -1.52 116.67 119.93 2eef s ASP 93 Ca 0.01 1.91 -0.02 0.00 0.71 0.00 0.00 52.55 55.16 2eef s ASP 93 Cb 0.02 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.41 2eef s ASP 93 CO -0.08 0.09 0.01 -0.89 0.21 0.00 0.00 175.17 174.51 2eef s THR 94 N -1.32 0.83 0.50 -1.27 2.01 -1.26 -3.73 115.64 111.40 2eef s THR 94 Ca 0.44 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2eef s THR 94 Cb -0.24 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2eef s THR 94 CO 0.29 -0.21 0.73 -0.36 -0.69 0.00 0.00 174.62 174.39 2eef s PHE 95 N 1.71 3.08 0.10 4.92 0.40 -0.51 -2.03 117.98 125.64 2eef s PHE 95 Ca -0.02 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2eef s PHE 95 Cb -0.18 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 2eef s PHE 95 CO -0.08 -0.61 -0.06 0.45 0.70 0.00 0.00 175.22 175.61 2eef s SER 96 N -4.31 1.12 -0.09 1.36 0.15 -0.81 -1.20 113.70 109.92 2eef s SER 96 Ca 0.52 -1.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 2eef s SER 96 Cb -0.10 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.34 2eef s SER 96 CO 0.39 -0.47 0.23 0.72 1.20 0.00 0.00 173.24 175.31 2eef s PHE 97 N -3.63 -0.28 -0.36 3.44 -0.12 -0.21 -0.72 117.98 116.09 2eef s PHE 97 Ca 0.12 0.68 0.01 0.00 -0.05 0.00 0.00 56.93 57.69 2eef s PHE 97 Cb 0.05 0.07 0.11 0.00 -0.63 0.00 0.00 43.02 42.62 2eef s PHE 97 CO -0.05 -0.17 0.14 -0.51 -0.05 0.00 0.00 175.22 174.58 2eef s ASP 98 N 0.59 4.07 0.04 1.98 1.11 -1.26 -2.21 116.67 120.99 2eef s ASP 98 Ca -0.04 -2.09 -0.02 0.00 0.18 0.00 0.00 52.55 50.59 2eef s ASP 98 Cb -0.05 -1.09 -0.04 0.00 1.07 0.00 0.00 42.92 42.80 2eef s ASP 98 CO -0.03 -0.36 0.22 -0.63 1.18 0.00 0.00 175.17 175.55 2eef s ILE 99 N 1.03 5.38 -0.18 0.77 1.01 -1.17 -4.96 121.20 123.08 2eef s ILE 99 Ca 0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2eef s ILE 99 Cb -0.20 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2eef s ILE 99 CO -0.13 0.21 0.11 -0.55 0.00 0.00 0.00 174.94 174.58 2eef s SER 100 N -2.25 6.09 0.48 3.58 0.15 -1.26 -0.91 113.70 119.58 2eef s SER 100 Ca 0.32 0.24 -0.19 0.00 0.70 0.00 0.00 55.95 57.02 2eef s SER 100 Cb -0.13 -2.04 -0.09 0.00 -1.71 0.00 0.00 66.02 62.05 2eef s SER 100 CO 0.24 0.22 0.98 -0.76 1.20 0.00 0.00 173.24 175.12 2eef s LEU 101 N 0.09 3.80 0.67 3.45 1.43 0.10 -4.92 118.68 123.30 2eef s LEU 101 Ca 0.08 1.70 -0.14 0.00 -1.03 0.00 0.00 54.13 54.74 2eef s LEU 101 Cb -0.11 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2eef s LEU 101 CO -0.00 -0.56 1.11 -2.16 0.23 0.00 0.00 176.35 174.96 2eef s PRO 102 N -3.52 2.73 0.21 1.29 0.04 -1.26 -4.78 135.00 129.71 2eef s PRO 102 Ca 0.62 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 2eef s PRO 102 Cb -0.11 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.73 2eef s PRO 102 CO 0.21 -1.30 1.37 -0.85 0.04 0.00 0.00 177.00 176.48 2eef n GLU 103 N -2.56 -0.19 -4.13 4.56 0.28 -1.26 -4.65 120.64 112.69 2eef n GLU 103 Ca 0.10 1.37 -0.11 0.00 -0.16 0.00 0.00 57.16 58.36 2eef n GLU 103 Cb 0.52 -2.03 -0.09 0.00 1.43 0.00 0.00 31.44 31.27 2eef n GLU 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2eef s LYS 104 N -5.88 1.16 -0.17 3.44 1.02 -1.26 -5.08 119.74 112.97 2eef s LYS 104 Ca -0.12 -1.47 -0.05 0.00 0.02 0.00 0.00 55.97 54.35 2eef s LYS 104 Cb 0.19 0.30 0.08 0.00 -0.52 0.00 0.00 37.83 37.88 2eef s LYS 104 CO 0.64 -0.39 0.31 0.42 -0.92 0.00 0.00 175.35 175.42 2eef s ILE 105 N -4.08 -0.49 0.18 2.17 1.01 -1.26 -5.16 121.20 113.56 2eef s ILE 105 Ca 0.30 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.17 2eef s ILE 105 Cb 0.06 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2eef s ILE 105 CO 0.07 0.06 0.28 -1.10 0.00 0.00 0.00 174.94 174.25 2eef s GLN 106 N 2.48 3.36 -0.30 2.79 -1.52 -1.26 -4.99 119.66 120.22 2eef s GLN 106 Ca 0.02 -0.68 -0.07 0.00 -1.95 0.00 0.00 55.36 52.68 2eef s GLN 106 Cb -0.13 -2.90 -0.22 0.00 -0.22 0.00 0.00 33.01 29.55 2eef s GLN 106 CO -0.11 0.49 3.46 0.45 -0.25 0.00 0.00 175.29 179.34 2eef n SER 107 N -0.75 5.90 -0.14 5.90 2.88 -1.26 -4.17 113.62 121.99 2eef n SER 107 Ca -0.08 -2.54 -0.29 0.00 -1.33 0.00 0.00 58.87 54.63 2eef n SER 107 Cb 0.55 -1.43 -0.10 0.00 -0.75 0.00 0.00 64.21 62.48 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eef n TYR 108 N 2.57 0.12 -4.38 0.66 4.11 -1.26 -5.04 117.16 113.95 2eef n TYR 108 Ca 0.49 0.05 -0.28 0.00 -0.00 0.00 0.00 57.90 58.16 2eef n TYR 108 Cb 0.78 -1.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.04 2eef n TYR 108 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 2eef s GLU 109 N -2.49 2.17 0.22 -3.48 2.12 -1.26 -5.11 118.70 110.87 2eef s GLU 109 Ca -0.38 -2.09 -0.19 0.00 0.36 0.00 0.00 54.97 52.67 2eef s GLU 109 Cb 0.14 -1.80 -0.08 0.00 0.26 0.00 0.00 34.13 32.65 2eef s GLU 109 CO 0.50 -0.26 0.71 0.50 -0.54 0.00 0.00 175.26 176.18 2eef s ARG 110 N -3.92 4.22 -0.18 4.30 6.06 -1.26 -4.90 118.95 123.27 2eef s ARG 110 Ca 0.28 0.83 -0.01 0.00 -2.50 0.00 0.00 55.73 54.34 2eef s ARG 110 Cb 0.03 -2.87 0.05 0.00 0.06 0.00 0.00 34.95 32.23 2eef s ARG 110 CO 0.16 0.39 -0.03 1.41 -2.50 0.00 0.00 175.30 174.73 2eef s MET 111 N -2.01 1.26 0.36 5.12 -2.45 -1.26 -2.31 119.30 118.00 2eef s MET 111 Ca 0.43 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 54.29 2eef s MET 111 Cb -0.16 -2.10 0.01 0.00 1.25 0.00 0.00 34.83 33.83 2eef s MET 111 CO 0.21 -0.51 0.50 -1.21 1.05 0.00 0.00 175.02 175.06 2eef s GLU 112 N 1.65 1.99 0.03 4.11 2.02 -1.20 -3.14 118.70 124.15 2eef s GLU 112 Ca -0.01 -1.80 -0.15 0.00 0.02 0.00 0.00 54.97 53.03 2eef s GLU 112 Cb -0.16 0.45 0.02 0.00 0.10 0.00 0.00 34.13 34.55 2eef s GLU 112 CO -0.07 -0.83 0.33 -0.59 0.02 0.00 0.00 175.26 174.12 2eef s PHE 113 N -2.89 -0.16 0.01 1.61 -0.12 -1.26 -1.34 117.98 113.84 2eef s PHE 113 Ca 0.30 0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.34 2eef s PHE 113 Cb -0.01 0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 2eef s PHE 113 CO 0.21 -0.49 -0.12 0.00 -0.05 0.00 0.00 175.22 174.77 2eef s ALA 114 N -2.21 1.01 0.16 1.99 0.00 -0.65 -4.18 121.76 117.89 2eef s ALA 114 Ca -0.07 -0.63 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2eef s ALA 114 Cb -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 2eef s ALA 114 CO -0.01 0.21 0.70 0.08 0.00 0.00 0.00 175.76 176.75 2eef s VAL 115 N -0.55 4.54 -0.27 0.00 1.01 -0.79 -2.58 120.40 121.76 2eef s VAL 115 Ca 0.03 1.41 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 2eef s VAL 115 Cb -0.06 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.43 2eef s VAL 115 CO 0.00 0.41 0.05 -0.47 0.00 0.00 0.00 175.10 175.09 2eef s TYR 116 N -1.28 1.86 -0.28 5.22 5.04 -0.89 -2.14 117.35 124.88 2eef s TYR 116 Ca 0.37 -1.64 -0.06 0.00 -2.44 0.00 0.00 57.07 53.30 2eef s TYR 116 Cb -0.20 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.49 2eef s TYR 116 CO 0.22 -0.80 0.05 -0.47 -1.34 0.00 0.00 175.55 173.21 2eef s TYR 117 N 1.57 3.11 -0.21 4.97 5.04 -0.93 -2.04 117.35 128.85 2eef s TYR 117 Ca 0.04 -1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 53.58 2eef s TYR 117 Cb -0.18 -2.21 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 2eef s TYR 117 CO -0.16 -0.58 0.06 -2.00 -1.34 0.00 0.00 175.55 171.53 2eef s GLU 118 N 1.48 3.78 -0.11 4.97 -6.30 -0.96 -1.75 118.70 119.81 2eef s GLU 118 Ca 0.03 -0.43 -0.30 0.00 -2.50 0.00 0.00 54.97 51.77 2eef s GLU 118 Cb -0.17 -3.25 0.10 0.00 0.00 0.00 0.00 34.13 30.81 2eef s GLU 118 CO 0.01 0.03 0.83 0.00 0.02 0.00 0.00 175.26 176.15 2eef n ASN 120 N 0.94 -2.02 -3.94 0.00 3.02 -1.26 -1.18 115.26 110.81 2eef n ASN 120 Ca -0.15 -0.86 -0.31 0.00 -0.03 0.00 0.00 54.58 53.23 2eef n ASN 120 Cb 0.57 -3.74 0.01 0.00 -0.61 0.00 0.00 39.78 36.02 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.68 -0.49 3.26 7.41 0.00 -1.26 -4.96 105.19 107.47 2eef n GLY 121 Ca -0.20 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -6.65 1.31 -0.21 1.61 -1.52 -0.33 -5.15 119.66 108.73 2eef s GLN 122 Ca 0.67 -1.70 -0.05 0.00 -1.95 0.00 0.00 55.36 52.34 2eef s GLN 122 Cb -0.34 -0.04 0.07 0.00 -0.22 0.00 0.00 33.01 32.48 2eef s GLN 122 CO 0.83 -0.33 0.11 0.99 -0.25 0.00 0.00 175.29 176.63 2eef s THR 123 N -3.92 -0.09 -0.20 -0.19 2.01 -1.26 -2.60 115.64 109.39 2eef s THR 123 Ca 0.38 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 2eef s THR 123 Cb 0.07 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2eef s THR 123 CO 0.13 -0.43 0.20 -0.31 -0.69 0.00 0.00 174.62 173.51 2eef s TYR 124 N 2.13 3.39 -0.31 4.92 2.02 -0.72 -4.99 117.35 123.80 2eef s TYR 124 Ca 0.04 0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 57.08 2eef s TYR 124 Cb -0.16 -2.26 0.03 0.00 -0.40 0.00 0.00 41.96 39.17 2eef s TYR 124 CO -0.18 0.20 0.07 -1.58 -1.57 0.00 0.00 175.55 172.48 2eef s TRP 125 N 0.64 3.21 -0.48 2.71 0.52 -1.26 -2.18 118.94 122.10 2eef s TRP 125 Ca 0.11 -1.36 -0.08 0.00 0.02 0.00 0.00 56.10 54.79 2eef s TRP 125 Cb -0.12 -2.23 0.12 0.00 -1.15 0.00 0.00 33.47 30.09 2eef s TRP 125 CO 0.02 -0.70 0.34 0.34 0.02 0.00 0.00 176.95 176.97 2eef s ASP 126 N 1.41 5.63 -0.60 2.95 -1.08 -0.91 -4.97 116.67 119.10 2eef s ASP 126 Ca -0.01 -2.01 -0.10 0.00 -0.52 0.00 0.00 52.55 49.91 2eef s ASP 126 Cb -0.19 -1.98 0.15 0.00 -1.46 0.00 0.00 42.92 39.45 2eef s ASP 126 CO 0.02 -0.65 0.48 -0.94 0.52 0.00 0.00 175.17 174.60 2eef s SER 127 N 2.40 5.93 -1.70 -0.34 1.04 -1.26 -1.89 113.70 117.88 2eef s SER 127 Ca 0.07 -2.27 -0.18 0.00 0.48 0.00 0.00 55.95 54.05 2eef s SER 127 Cb -0.25 -2.05 0.16 0.00 0.10 0.00 0.00 66.02 63.98 2eef s SER 127 CO -0.02 -0.62 0.77 -3.20 0.98 0.00 0.00 173.24 171.15 2eef n ASN 128 N 4.44 -3.17 -3.52 7.02 5.15 -1.26 -1.16 115.26 122.77 2eef n ASN 128 Ca -0.00 -1.02 -0.25 0.00 -0.60 0.00 0.00 54.58 52.71 2eef n ASN 128 Cb 0.42 -2.73 -0.06 0.00 -0.53 0.00 0.00 39.78 36.88 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2eef n ARG 129 N -4.38 -0.86 0.00 1.20 -4.01 -1.26 -3.86 116.66 103.49 2eef n ARG 129 Ca 0.06 0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 2eef n ARG 129 Cb 0.50 -2.80 0.00 0.00 -3.04 0.00 0.00 32.46 27.11 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2eef n GLY 130 N -1.20 -2.00 0.44 2.89 0.00 -0.31 -5.05 105.19 99.96 2eef n GLY 130 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.00 -3.61 1.61 4.76 -1.17 -4.91 118.16 114.84 2eef n LYS 131 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2eef n LYS 131 Cb 0.00 -0.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.88 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2eef s ASN 132 N -4.43 -0.13 -0.93 4.39 2.20 -1.23 -4.62 114.94 110.19 2eef s ASN 132 Ca 0.00 0.06 -0.24 0.00 -0.94 0.00 0.00 52.86 51.74 2eef s ASN 132 Cb 0.00 0.13 0.05 0.00 -2.00 0.00 0.00 41.25 39.43 2eef s ASN 132 CO 0.00 -0.19 1.39 -0.31 -2.94 0.00 0.00 177.10 175.05 2eef s TYR 133 N -1.91 2.48 -0.10 1.54 2.02 -1.26 -4.73 117.35 115.39 2eef s TYR 133 Ca 0.08 -0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 2eef s TYR 133 Cb -0.01 -4.66 -0.03 0.00 -0.40 0.00 0.00 41.96 36.86 2eef s TYR 133 CO -0.05 -1.96 1.31 -0.98 -1.57 0.00 0.00 175.55 172.30 2eef s ARG 134 N 5.12 4.26 -0.35 -0.62 1.70 -1.26 -4.19 118.95 123.61 2eef s ARG 134 Ca 0.42 1.77 -0.09 0.00 -0.47 0.00 0.00 55.73 57.36 2eef s ARG 134 Cb -0.03 -3.71 0.03 0.00 -0.57 0.00 0.00 34.95 30.67 2eef s ARG 134 CO -0.03 -0.64 0.16 0.42 -1.08 0.00 0.00 175.30 174.13 2eef s ILE 135 N 3.06 4.27 0.41 4.99 1.01 -1.19 -2.94 121.20 130.81 2eef s ILE 135 Ca 0.59 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2eef s ILE 135 Cb -0.25 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2eef s ILE 135 CO 0.20 -0.16 0.35 0.27 0.00 0.00 0.00 174.94 175.60 2eef s ILE 136 N 1.51 2.66 0.72 2.92 -4.36 -0.95 -4.82 121.20 118.87 2eef s ILE 136 Ca 0.01 -1.39 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 2eef s ILE 136 Cb -0.19 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 40.54 2eef s ILE 136 CO 0.05 -0.01 1.10 -0.60 0.24 0.00 0.00 174.94 175.72 2eef s ARG 137 N -4.09 2.72 0.27 0.37 3.52 -1.26 -0.25 118.95 120.23 2eef s ARG 137 Ca 0.47 0.50 0.14 0.00 -0.13 0.00 0.00 55.73 56.71 2eef s ARG 137 Cb -0.02 -2.00 0.19 0.00 -1.56 0.00 0.00 34.95 31.55 2eef s ARG 137 CO 0.27 -1.14 1.50 0.00 -0.81 0.00 0.00 175.30 175.12 2eef h ALA 138 N -0.73 0.71 0.00 6.12 0.00 -1.70 -3.14 119.26 120.51 2eef h ALA 138 Ca -0.45 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 53.90 2eef h ALA 138 Cb 1.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2eef h ALA 138 CO 0.63 0.71 -0.16 1.05 0.00 0.00 0.00 179.25 181.49 2eef h GLU 139 N 0.00 0.00 0.08 0.00 4.11 -1.94 -3.16 114.58 113.66 2eef h GLU 139 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2eef h GLU 139 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2eef h GLU 139 CO 0.07 0.16 -0.04 -0.07 0.07 0.00 0.00 179.01 179.21 2eef h LEU 140 N 0.00 -0.09 -9.97 3.06 3.38 -1.94 -3.45 115.31 106.30 2eef h LEU 140 Ca -0.00 -0.46 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 2eef h LEU 140 Cb 0.50 0.02 0.11 0.00 0.09 0.00 0.00 40.66 41.38 2eef h LEU 140 CO 0.02 0.59 0.70 -0.75 0.09 0.00 0.00 178.44 179.09 2eef s LYS 141 N -2.63 3.82 -0.05 1.13 2.47 -1.20 -5.02 119.74 118.26 2eef s LYS 141 Ca -0.12 2.40 0.04 0.00 -1.56 0.00 0.00 55.97 56.74 2eef s LYS 141 Cb -0.01 -2.74 -0.00 0.00 -1.46 0.00 0.00 37.83 33.63 2eef s LYS 141 CO 0.43 -0.70 -0.17 -1.12 0.16 0.00 0.00 175.35 173.95 2eef s SER 142 N -0.48 2.15 -0.07 1.43 0.01 -1.26 -4.95 113.70 110.53 2eef s SER 142 Ca 0.59 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 57.20 2eef s SER 142 Cb -0.43 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.11 2eef s SER 142 CO 0.56 0.15 1.76 0.28 0.41 0.00 0.00 173.24 176.40 2eef s THR 143 N 0.08 3.44 -0.05 1.44 -1.32 -1.26 -4.98 115.64 112.99 2eef s THR 143 Ca -0.05 0.52 -0.06 0.00 -1.21 0.00 0.00 61.69 60.89 2eef s THR 143 Cb -0.12 -3.37 0.01 0.00 -1.51 0.00 0.00 72.50 67.52 2eef s THR 143 CO 0.02 -0.08 0.15 -1.58 -2.21 0.00 0.00 174.62 170.92 2eef s GLN 144 N 4.40 0.21 -0.74 7.08 0.74 -1.26 -5.06 119.66 125.03 2eef s GLN 144 Ca 0.78 0.15 0.00 0.00 0.05 0.00 0.00 55.36 56.34 2eef s GLN 144 Cb -0.34 0.10 0.37 0.00 1.10 0.00 0.00 33.01 34.24 2eef s GLN 144 CO 0.33 -0.03 1.74 0.41 -0.55 0.00 0.00 175.29 177.19 2eef n GLY 145 N 2.83 5.69 3.67 2.59 0.00 -1.26 -5.04 105.19 113.67 2eef n GLY 145 Ca -0.14 -2.57 -0.44 0.00 0.00 0.00 0.00 46.02 42.88 2eef n GLY 145 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2eef n MET 146 N -0.49 1.92 -4.01 1.61 1.56 -1.26 -4.99 117.12 111.46 2eef n MET 146 Ca 0.49 0.68 -0.26 0.00 -0.27 0.00 0.00 57.70 58.34 2eef n MET 146 Cb 0.35 -2.24 -0.04 0.00 2.15 0.00 0.00 33.22 33.44 2eef n MET 146 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2eef s THR 147 N -0.78 4.90 -0.29 1.12 -4.23 -1.26 -5.11 115.64 109.97 2eef s THR 147 Ca 0.60 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 60.09 2eef s THR 147 Cb -0.62 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 69.84 2eef s THR 147 CO 0.58 -0.09 0.81 -0.75 -0.54 0.00 0.00 174.62 174.63 2eef s LYS 148 N -3.15 0.50 0.37 3.99 2.20 -1.26 -5.16 119.74 117.24 2eef s LYS 148 Ca 0.33 1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 56.72 2eef s LYS 148 Cb -0.11 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.52 2eef s LYS 148 CO 0.26 -0.14 1.20 -1.25 -0.36 0.00 0.00 175.35 175.06 2eef s PRO 149 N 2.10 4.19 -0.03 4.03 0.04 -1.26 -4.97 135.00 139.09 2eef s PRO 149 Ca -0.07 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 2eef s PRO 149 Cb -0.07 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 2eef s PRO 149 CO -0.18 -0.23 1.41 -1.01 0.04 0.00 0.00 177.00 177.03 2eef s HIS 150 N -1.31 2.74 0.43 0.56 3.76 -1.26 -5.02 115.29 115.20 2eef s HIS 150 Ca 0.54 0.77 0.05 0.00 -0.15 0.00 0.00 55.06 56.26 2eef s HIS 150 Cb -0.33 -3.67 0.01 0.00 1.11 0.00 0.00 32.58 29.70 2eef s HIS 150 CO 0.43 -2.50 0.61 -1.12 -0.85 0.00 0.00 174.74 171.31 2eef s SER 151 N 2.08 5.68 -0.04 1.40 0.01 -1.26 -5.12 113.70 116.46 2eef s SER 151 Ca 0.64 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 57.46 2eef s SER 151 Cb -0.30 -1.03 0.11 0.00 0.21 0.00 0.00 66.02 65.01 2eef s SER 151 CO 0.25 -0.75 1.12 -0.83 0.41 0.00 0.00 173.24 173.43 2eef s GLY 152 N -4.30 -0.35 1.24 3.44 0.00 -1.26 -5.18 107.32 100.92 2eef s GLY 152 Ca 0.52 0.95 -0.21 0.00 0.00 0.00 0.00 44.72 45.98 2eef s GLY 152 CO 0.35 0.28 1.10 -1.55 0.00 0.00 0.00 173.10 173.28 2eef n PRO 153 N -0.31 -3.16 0.00 2.90 -0.04 -1.26 -5.04 135.00 128.09 2eef n PRO 153 Ca -0.05 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 2eef n PRO 153 Cb 0.61 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2eef n PRO 153 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2eef n ASP 154 N -4.89 1.43 -4.98 3.54 5.75 -1.26 -5.09 116.55 111.04 2eef n ASP 154 Ca 0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.74 2eef n ASP 154 Cb 0.59 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.68 2eef n ASP 154 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2eef s LEU 155 N -4.63 4.03 0.00 -2.12 1.43 -1.26 -5.39 118.68 110.73 2eef s LEU 155 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2eef s LEU 155 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2eef s LEU 155 CO 0.00 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.82