#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 6.22 -0.29 1.61 1.04 -1.26 -4.94 113.70 116.09 2eef s SER 2 Ca 0.00 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 2eef s SER 2 Cb 0.00 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.81 2eef s SER 2 CO 0.00 -1.53 0.60 -0.55 0.98 0.00 0.00 173.24 172.74 2eef s SER 3 N 3.77 -1.15 0.00 7.02 0.15 -1.26 -5.02 113.70 117.21 2eef s SER 3 Ca 0.28 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2eef s SER 3 Cb -0.13 2.14 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2eef s SER 3 CO 0.09 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2eef n GLY 4 N 5.43 -0.56 3.70 9.45 0.00 -1.26 -5.12 105.19 116.83 2eef n GLY 4 Ca -0.06 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N 0.00 6.58 0.53 1.61 0.15 -1.26 -5.00 113.70 116.32 2eef s SER 5 Ca 0.00 2.56 -0.03 0.00 0.70 0.00 0.00 55.95 59.17 2eef s SER 5 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2eef s SER 5 CO 0.00 -0.87 0.81 -0.94 1.20 0.00 0.00 173.24 173.44 2eef s SER 6 N 1.92 5.71 -0.27 5.45 1.04 -1.26 -5.09 113.70 121.20 2eef s SER 6 Ca 0.73 0.55 -0.02 0.00 0.48 0.00 0.00 55.95 57.69 2eef s SER 6 Cb -0.42 -1.66 0.11 0.00 0.10 0.00 0.00 66.02 64.16 2eef s SER 6 CO 0.32 -0.90 0.22 -0.83 0.98 0.00 0.00 173.24 173.03 2eef s GLY 7 N -4.26 0.11 0.08 7.32 0.00 -1.26 -5.13 107.32 104.17 2eef s GLY 7 Ca 0.51 -0.44 -0.27 0.00 0.00 0.00 0.00 44.72 44.53 2eef s GLY 7 CO 0.42 2.32 0.89 0.00 0.00 0.00 0.00 173.10 176.74 2eef s ALA 8 N 2.26 -1.72 -0.24 3.20 0.00 -1.26 -4.97 121.76 119.02 2eef s ALA 8 Ca 0.08 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.72 2eef s ALA 8 Cb -0.15 0.55 0.45 0.00 0.00 0.00 0.00 23.12 23.98 2eef s ALA 8 CO -0.29 -0.85 1.31 -0.85 0.00 0.00 0.00 175.76 175.08 2eef n GLU 9 N -0.35 1.73 -1.51 0.00 0.28 -1.26 -5.05 120.64 114.47 2eef n GLU 9 Ca -0.08 -3.29 -0.30 0.00 -0.16 0.00 0.00 57.16 53.33 2eef n GLU 9 Cb 0.61 -1.71 0.22 0.00 1.43 0.00 0.00 31.44 32.00 2eef n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2eef s SER 10 N -3.00 1.87 0.19 -1.84 0.01 -1.26 -5.07 113.70 104.60 2eef s SER 10 Ca 0.41 0.38 0.04 0.00 1.31 0.00 0.00 55.95 58.09 2eef s SER 10 Cb 0.39 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2eef s SER 10 CO -0.04 -3.51 0.29 -1.61 0.41 0.00 0.00 173.24 168.77 2eef s GLU 11 N -5.70 3.36 1.08 12.44 0.41 -1.26 -5.09 118.70 123.95 2eef s GLU 11 Ca 0.73 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 54.44 2eef s GLU 11 Cb -0.06 -2.89 0.15 0.00 -1.78 0.00 0.00 34.13 29.55 2eef s GLU 11 CO 0.55 0.48 0.49 -1.13 -0.49 0.00 0.00 175.26 175.15 2eef n SER 12 N -0.85 -1.86 -4.37 -0.19 3.41 -1.26 -4.80 113.62 103.70 2eef n SER 12 Ca -0.08 0.02 -0.19 0.00 -0.26 0.00 0.00 58.87 58.36 2eef n SER 12 Cb 0.55 -1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.25 2eef n SER 12 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2eef s PHE 13 N -2.36 1.74 0.31 7.33 0.40 -1.26 -1.66 117.98 122.47 2eef s PHE 13 Ca 0.61 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2eef s PHE 13 Cb -0.19 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 2eef s PHE 13 CO 0.65 0.22 0.24 0.14 0.70 0.00 0.00 175.22 177.17 2eef s VAL 14 N -3.11 0.03 -0.17 -0.44 -7.23 -0.10 -4.64 120.40 104.74 2eef s VAL 14 Ca 0.26 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 2eef s VAL 14 Cb 0.03 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2eef s VAL 14 CO 0.09 0.00 0.04 -0.76 -0.31 0.00 0.00 175.10 174.16 2eef s LEU 15 N -3.34 3.70 -0.12 1.32 1.43 -1.26 -2.76 118.68 117.65 2eef s LEU 15 Ca 0.40 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2eef s LEU 15 Cb 0.03 -1.92 0.15 0.00 0.03 0.00 0.00 46.19 44.48 2eef s LEU 15 CO 0.24 0.18 1.36 -0.67 0.23 0.00 0.00 176.35 177.70 2eef n ASP 16 N 3.46 3.68 -3.72 2.29 -0.08 -1.20 -4.81 116.55 116.17 2eef n ASP 16 Ca -0.17 -2.44 -0.12 0.00 -1.51 0.00 0.00 54.79 50.55 2eef n ASP 16 Cb 0.52 -0.68 -0.07 0.00 2.34 0.00 0.00 41.12 43.24 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 -0.80 -0.16 0.35 -0.67 -0.71 -1.26 -4.90 117.98 109.82 2eef s PHE 17 Ca 0.14 0.07 -0.16 0.00 -1.04 0.00 0.00 56.93 55.94 2eef s PHE 17 Cb 0.11 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.97 2eef s PHE 17 CO 0.02 -0.52 0.78 -1.12 -1.34 0.00 0.00 175.22 173.04 2eef s SER 18 N -2.01 6.78 0.24 1.98 0.01 -1.26 -5.01 113.70 114.42 2eef s SER 18 Ca -0.05 1.35 -0.31 0.00 1.31 0.00 0.00 55.95 58.25 2eef s SER 18 Cb -0.01 -2.40 -0.11 0.00 0.21 0.00 0.00 66.02 63.71 2eef s SER 18 CO -0.03 -0.26 1.61 -1.10 0.41 0.00 0.00 173.24 173.87 2eef s GLN 19 N -3.11 4.16 0.06 12.44 -1.52 -1.26 -4.93 119.66 125.50 2eef s GLN 19 Ca 0.56 2.51 -0.18 0.00 -1.95 0.00 0.00 55.36 56.29 2eef s GLN 19 Cb -0.10 -3.08 -0.12 0.00 -0.22 0.00 0.00 33.01 29.50 2eef s GLN 19 CO 0.18 -0.63 1.38 -1.00 -0.25 0.00 0.00 175.29 174.96 2eef h PRO 20 N 5.83 0.49 -1.03 2.91 0.13 -1.82 -3.11 132.00 135.40 2eef h PRO 20 Ca -0.45 -0.26 0.28 0.00 -0.87 0.00 0.00 66.00 64.70 2eef h PRO 20 Cb 1.21 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2eef h PRO 20 CO 0.86 0.84 0.70 0.66 -0.23 0.00 0.00 178.00 180.83 2eef h SER 21 N 0.17 0.25 -0.74 1.44 4.64 -1.73 -1.71 113.55 115.87 2eef h SER 21 Ca 0.03 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.65 2eef h SER 21 Cb 0.74 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.70 2eef h SER 21 CO 0.05 0.06 0.20 0.00 -0.87 0.00 0.00 176.83 176.27 2eef n ALA 22 N -2.60 0.57 -3.59 5.18 0.00 -1.18 -2.75 120.51 116.14 2eef n ALA 22 Ca 0.23 0.77 -0.40 0.00 0.00 0.00 0.00 53.44 54.05 2eef n ALA 22 Cb 0.96 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.83 5.68 0.29 0.00 1.01 -0.64 -4.94 116.67 113.24 2eef s ASP 23 Ca -0.08 -2.30 0.03 0.00 0.71 0.00 0.00 52.55 50.91 2eef s ASP 23 Cb 0.23 -1.98 0.62 0.00 1.01 0.00 0.00 42.92 42.81 2eef s ASP 23 CO 0.58 -0.57 1.82 0.22 0.21 0.00 0.00 175.17 177.42 2eef h TYR 24 N 7.92 1.11 0.00 4.23 5.03 -1.77 0.20 116.97 133.69 2eef h TYR 24 Ca -0.10 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.24 2eef h TYR 24 Cb 1.03 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.96 2eef h TYR 24 CO 0.70 0.38 0.00 1.28 -1.32 0.00 0.00 178.16 179.20 2eef n LEU 25 N -4.66 0.14 0.07 2.82 7.99 -1.26 -0.22 117.00 121.88 2eef n LEU 25 Ca 0.20 0.70 0.19 0.00 -0.01 0.00 0.00 56.01 57.09 2eef n LEU 25 Cb 0.43 -0.45 0.56 0.00 -0.11 0.00 0.00 43.42 43.85 2eef n LEU 25 CO 0.25 -0.45 1.17 -0.78 -1.51 0.00 0.00 177.39 176.07 2eef h ASP 26 N 0.00 0.00 0.00 -1.43 3.58 -1.93 0.34 116.42 116.98 2eef h ASP 26 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2eef h ASP 26 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2eef h ASP 26 CO 0.00 0.00 -0.22 0.15 -2.88 0.00 0.00 179.24 176.29 2eef h PHE 27 N 0.00 0.00 -0.85 0.28 3.04 -0.59 -3.33 116.94 115.48 2eef h PHE 27 Ca 0.23 0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.39 2eef h PHE 27 Cb 1.73 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.19 2eef h PHE 27 CO 0.00 0.12 0.58 0.07 -2.02 0.00 0.00 178.31 177.06 2eef h ARG 28 N -1.00 0.24 -0.64 1.11 0.11 0.72 0.19 114.38 115.11 2eef h ARG 28 Ca -0.01 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.07 2eef h ARG 28 Cb 0.29 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 2eef h ARG 28 CO -0.01 0.16 0.42 -0.91 0.10 0.00 0.00 179.97 179.73 2eef h ASN 29 N 0.24 0.69 0.72 0.08 2.35 -1.13 -0.97 115.58 117.56 2eef h ASN 29 Ca 0.43 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.92 2eef h ASN 29 Cb 1.29 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 2eef h ASN 29 CO -0.11 0.49 -1.12 0.03 -1.65 0.00 0.00 177.43 175.08 2eef h ARG 30 N 0.81 0.19 0.00 0.81 2.47 -0.75 -2.41 114.38 115.51 2eef h ARG 30 Ca 0.24 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2eef h ARG 30 Cb -0.02 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2eef h ARG 30 CO -0.06 1.12 0.00 -0.11 0.56 0.00 0.00 179.97 181.48 2eef n LEU 31 N -3.51 0.00 -0.04 3.04 7.94 -0.80 0.06 117.00 123.69 2eef n LEU 31 Ca -0.05 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2eef n LEU 31 Cb 0.97 -0.46 -0.12 0.00 0.53 0.00 0.00 43.42 44.33 2eef n LEU 31 CO 0.51 -0.11 -0.84 1.67 -1.11 0.00 0.00 177.39 177.51 2eef n GLN 32 N -1.46 1.03 -0.04 1.96 7.27 -0.44 -2.89 117.38 122.80 2eef n GLN 32 Ca 0.06 -0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.07 2eef n GLN 32 Cb 0.24 -1.39 -0.16 0.00 2.41 0.00 0.00 30.24 31.35 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 -2.32 2.17 0.22 1.69 0.00 -0.91 -4.41 120.51 116.95 2eef n ALA 33 Ca -0.14 -0.87 0.02 0.00 0.00 0.00 0.00 53.44 52.45 2eef n ALA 33 Cb 0.71 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.53 0.85 -2.44 0.00 -0.08 0.11 -4.99 116.55 107.47 2eef n ASP 34 Ca -0.17 -0.92 -0.13 0.00 -1.51 0.00 0.00 54.79 52.06 2eef n ASP 34 Cb 0.85 0.48 -0.01 0.00 2.34 0.00 0.00 41.12 44.78 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 -0.38 -1.39 -3.63 -0.67 8.25 -1.14 -4.84 115.22 111.41 2eef n HIS 35 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 2eef n HIS 35 Cb 0.10 -2.83 -0.07 0.00 1.12 0.00 0.00 29.99 28.32 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 -2.64 0.00 -0.26 1.59 0.11 -1.25 -3.64 120.40 114.31 2eef s VAL 36 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2eef s VAL 36 Cb 0.00 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 2eef s VAL 36 CO 0.00 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 173.01 2eef s LEU 38 N -0.38 4.17 0.00 0.00 2.96 -1.26 -1.15 118.68 123.02 2eef s LEU 38 Ca 0.05 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2eef s LEU 38 Cb -0.03 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.32 2eef s LEU 38 CO -0.08 -0.46 0.38 1.21 -1.32 0.00 0.00 176.35 176.07 2eef n GLU 39 N 5.42 0.00 -3.87 1.98 2.13 -0.45 -4.38 120.64 121.46 2eef n GLU 39 Ca 0.07 0.48 -0.12 0.00 0.66 0.00 0.00 57.16 58.25 2eef n GLU 39 Cb 0.48 -1.18 -0.12 0.00 0.27 0.00 0.00 31.44 30.89 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.58 -0.02 -0.33 4.31 4.22 -1.23 -2.92 114.94 116.39 2eef s ASN 40 Ca 0.00 -0.00 -0.00 0.00 -2.14 0.00 0.00 52.86 50.72 2eef s ASN 40 Cb 0.00 0.17 0.11 0.00 1.28 0.00 0.00 41.25 42.80 2eef s ASN 40 CO 0.00 -0.13 0.12 0.00 -2.04 0.00 0.00 177.10 175.05 2eef s VAL 42 N 1.36 3.91 0.06 0.00 -7.23 0.14 -4.93 120.40 113.71 2eef s VAL 42 Ca 0.11 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.32 2eef s VAL 42 Cb -0.19 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 2eef s VAL 42 CO -0.19 -0.50 -0.26 -0.22 -0.31 0.00 0.00 175.10 173.62 2eef s LEU 43 N -4.87 2.23 0.00 1.32 0.20 -1.26 -1.69 118.68 114.61 2eef s LEU 43 Ca 0.52 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.77 2eef s LEU 43 Cb -0.10 -1.30 -0.01 0.00 -0.43 0.00 0.00 46.19 44.34 2eef s LEU 43 CO 0.44 0.24 0.14 0.29 -0.29 0.00 0.00 176.35 177.17 2eef n LYS 44 N 1.60 0.44 -1.65 1.98 5.02 0.19 -4.96 118.16 120.79 2eef n LYS 44 Ca -0.17 -2.06 -0.43 0.00 -2.02 0.00 0.00 58.31 53.63 2eef n LYS 44 Cb 0.52 1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 36.95 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2eef n ASP 45 N -2.01 3.86 -3.65 4.39 5.68 -1.26 -2.44 116.55 121.11 2eef n ASP 45 Ca 0.01 0.75 -0.28 0.00 -0.50 0.00 0.00 54.79 54.78 2eef n ASP 45 Cb 0.37 -1.51 -0.05 0.00 -1.14 0.00 0.00 41.12 38.79 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2eef n LYS 46 N 7.71 -1.28 -3.51 0.11 4.01 -1.26 -4.82 118.16 119.11 2eef n LYS 46 Ca 0.23 0.09 -0.11 0.00 -0.51 0.00 0.00 58.31 58.01 2eef n LYS 46 Cb 0.40 -4.07 -0.04 0.00 -0.51 0.00 0.00 35.03 30.81 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 -2.64 -1.81 0.23 7.82 0.00 -1.02 -0.72 121.76 123.62 2eef s ALA 47 Ca 0.54 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.69 2eef s ALA 47 Cb -0.31 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2eef s ALA 47 CO 0.66 -0.54 -0.04 0.96 0.00 0.00 0.00 175.76 176.80 2eef s ILE 48 N -2.33 1.26 -0.13 0.00 -4.36 0.22 0.57 121.20 116.44 2eef s ILE 48 Ca -0.00 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.13 2eef s ILE 48 Cb -0.01 -2.31 0.05 0.00 1.25 0.00 0.00 42.46 41.44 2eef s ILE 48 CO -0.03 -0.38 0.48 0.00 0.24 0.00 0.00 174.94 175.25 2eef s ALA 49 N -3.27 -1.21 0.01 2.27 0.00 -0.68 -2.72 121.76 116.16 2eef s ALA 49 Ca 0.27 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.11 2eef s ALA 49 Cb 0.04 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.75 2eef s ALA 49 CO 0.09 -0.26 0.85 0.20 0.00 0.00 0.00 175.76 176.64 2eef s GLY 50 N -0.27 -0.48 -0.08 0.00 0.00 -0.93 0.27 107.32 105.83 2eef s GLY 50 Ca -0.04 1.01 0.04 0.00 0.00 0.00 0.00 44.72 45.73 2eef s GLY 50 CO 0.03 0.37 -0.20 -0.51 0.00 0.00 0.00 173.10 172.79 2eef s THR 51 N -3.04 2.48 -0.06 0.90 -4.23 -0.69 -0.66 115.64 110.35 2eef s THR 51 Ca 0.04 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2eef s THR 51 Cb -0.01 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 2eef s THR 51 CO -0.08 0.56 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.83 2eef s VAL 52 N -0.09 3.94 0.10 2.29 1.01 0.60 -1.34 120.40 126.92 2eef s VAL 52 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2eef s VAL 52 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2eef s VAL 52 CO 0.04 0.56 0.14 -0.54 0.00 0.00 0.00 175.10 175.30 2eef s LYS 53 N -0.96 3.05 0.04 2.72 -0.14 -0.30 -2.12 119.74 122.02 2eef s LYS 53 Ca 0.14 -0.68 -0.14 0.00 -1.36 0.00 0.00 55.97 53.93 2eef s LYS 53 Cb -0.11 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.27 2eef s LYS 53 CO 0.03 0.55 0.31 0.14 -0.76 0.00 0.00 175.35 175.62 2eef s VAL 54 N -1.53 0.08 0.39 3.17 -7.23 -1.25 -2.71 120.40 111.31 2eef s VAL 54 Ca 0.31 -0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 2eef s VAL 54 Cb -0.12 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 2eef s VAL 54 CO 0.24 -0.35 0.85 -1.10 -0.31 0.00 0.00 175.10 174.43 2eef s GLN 55 N -2.39 4.06 -0.03 4.82 -0.21 -1.24 -4.26 119.66 120.42 2eef s GLN 55 Ca -0.06 0.86 -0.06 0.00 0.02 0.00 0.00 55.36 56.12 2eef s GLN 55 Cb -0.01 -2.30 -0.25 0.00 1.00 0.00 0.00 33.01 31.45 2eef s GLN 55 CO -0.02 0.02 3.56 0.27 -2.12 0.00 0.00 175.29 177.00 2eef n ASN 56 N -0.69 5.33 0.25 5.90 6.94 -1.26 -4.53 115.26 127.20 2eef n ASN 56 Ca 0.05 -2.53 -0.15 0.00 -0.02 0.00 0.00 54.58 51.93 2eef n ASN 56 Cb 0.54 -1.41 -0.08 0.00 -2.36 0.00 0.00 39.78 36.47 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2eef h LEU 57 N 4.91 -0.55 -9.16 -4.53 3.38 -1.98 -3.45 115.31 103.93 2eef h LEU 57 Ca 0.20 -0.07 -0.63 0.00 0.09 0.00 0.00 57.88 57.48 2eef h LEU 57 Cb 1.46 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 42.20 2eef h LEU 57 CO 0.27 -0.24 -0.78 0.00 0.09 0.00 0.00 178.44 177.79 2eef s ALA 58 N -5.27 2.70 0.08 1.53 0.00 -1.26 -4.98 121.76 114.55 2eef s ALA 58 Ca -0.15 -1.75 -0.32 0.00 0.00 0.00 0.00 51.96 49.74 2eef s ALA 58 Cb 0.03 -0.34 -0.17 0.00 0.00 0.00 0.00 23.12 22.63 2eef s ALA 58 CO 0.55 0.35 1.63 0.35 0.00 0.00 0.00 175.76 178.63 2eef h PHE 59 N 2.67 -0.85 -2.99 0.00 3.04 -1.98 -3.42 116.94 113.41 2eef h PHE 59 Ca -0.43 -0.01 -0.63 0.00 3.98 0.00 0.00 57.97 60.88 2eef h PHE 59 Cb 1.24 0.30 -0.09 0.00 2.56 0.00 0.00 35.95 39.95 2eef h PHE 59 CO 0.74 -0.51 -0.45 -1.21 -2.02 0.00 0.00 178.31 174.87 2eef s GLU 60 N -6.05 3.86 0.29 1.11 2.02 -1.26 -5.10 118.70 113.58 2eef s GLU 60 Ca -0.17 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2eef s GLU 60 Cb 0.04 -3.31 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 2eef s GLU 60 CO 0.62 0.52 0.05 -1.59 0.02 0.00 0.00 175.26 174.88 2eef s LYS 61 N -0.30 1.52 -0.21 1.61 -2.85 -1.26 -4.69 119.74 113.56 2eef s LYS 61 Ca 0.13 -1.82 -0.04 0.00 -1.00 0.00 0.00 55.97 53.24 2eef s LYS 61 Cb -0.12 -0.68 0.07 0.00 -2.06 0.00 0.00 37.83 35.04 2eef s LYS 61 CO 0.02 -0.18 0.08 0.99 0.10 0.00 0.00 175.35 176.36 2eef s THR 62 N -3.42 0.15 -0.17 3.79 2.01 -0.67 -5.01 115.64 112.32 2eef s THR 62 Ca 0.35 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2eef s THR 62 Cb 0.08 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2eef s THR 62 CO 0.13 -0.36 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.98 2eef s VAL 63 N 2.02 3.81 -0.07 3.82 1.01 -1.26 -1.61 120.40 128.13 2eef s VAL 63 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2eef s VAL 63 Cb -0.16 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.57 2eef s VAL 63 CO -0.14 0.47 0.15 -0.54 0.00 0.00 0.00 175.10 175.03 2eef s LYS 64 N 0.68 0.08 -0.28 2.72 1.02 -1.04 -2.80 119.74 120.12 2eef s LYS 64 Ca -0.02 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.24 2eef s LYS 64 Cb -0.14 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 2eef s LYS 64 CO 0.02 -0.19 0.31 0.42 -0.92 0.00 0.00 175.35 174.99 2eef s ILE 65 N 1.38 5.22 -0.24 2.17 -1.09 -1.05 -2.32 121.20 125.27 2eef s ILE 65 Ca -0.07 0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 58.67 2eef s ILE 65 Cb -0.12 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2eef s ILE 65 CO -0.06 0.17 0.12 0.00 -1.23 0.00 0.00 174.94 173.94 2eef s ARG 66 N 1.97 3.91 -0.02 2.79 1.70 -0.74 -2.57 118.95 125.99 2eef s ARG 66 Ca 0.12 -0.36 0.03 0.00 -0.47 0.00 0.00 55.73 55.05 2eef s ARG 66 Cb -0.16 -3.42 -0.00 0.00 -0.57 0.00 0.00 34.95 30.80 2eef s ARG 66 CO 0.10 0.00 -0.10 1.41 -1.08 0.00 0.00 175.30 175.64 2eef s MET 67 N 1.17 0.92 0.34 3.89 1.75 -1.26 -0.17 119.30 125.94 2eef s MET 67 Ca 0.06 -0.34 0.08 0.00 -1.25 0.00 0.00 55.69 54.24 2eef s MET 67 Cb -0.14 -0.87 -0.04 0.00 2.84 0.00 0.00 34.83 36.62 2eef s MET 67 CO 0.05 0.16 0.18 -0.08 -0.65 0.00 0.00 175.02 174.68 2eef s THR 68 N -0.00 3.08 0.00 10.11 -1.32 0.30 -3.24 115.64 124.57 2eef s THR 68 Ca 0.00 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 2eef s THR 68 Cb -0.07 -3.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2eef s THR 68 CO 0.00 -0.17 0.06 0.49 -2.21 0.00 0.00 174.62 172.79 2eef n PHE 69 N -1.21 0.00 -3.59 9.09 3.72 -1.26 -2.90 117.46 121.32 2eef n PHE 69 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 2eef n PHE 69 Cb 0.61 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.02 2eef n PHE 69 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2eef s ASP 70 N -0.32 3.34 -0.81 4.37 -1.08 -1.20 -4.10 116.67 116.87 2eef s ASP 70 Ca 0.00 -2.32 -0.11 0.00 -0.52 0.00 0.00 52.55 49.60 2eef s ASP 70 Cb 0.00 -0.70 0.01 0.00 -1.46 0.00 0.00 42.92 40.77 2eef s ASP 70 CO 0.00 -0.30 0.20 0.41 0.52 0.00 0.00 175.17 176.00 2eef n THR 71 N 3.90 -1.06 -4.11 1.71 -1.04 -1.25 0.14 114.28 112.57 2eef n THR 71 Ca 0.09 -0.32 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 2eef n THR 71 Cb 0.36 -0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.25 -1.46 -0.03 -1.42 7.02 -1.26 -4.87 117.44 112.17 2eef n TRP 72 Ca -0.13 0.55 -0.19 0.00 -1.02 0.00 0.00 57.50 56.71 2eef n TRP 72 Cb 0.37 -3.15 -0.14 0.00 -2.42 0.00 0.00 31.31 25.97 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 -4.58 0.72 -3.16 -0.99 5.02 0.36 -4.93 118.16 110.60 2eef n LYS 73 Ca -0.27 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.30 2eef n LYS 73 Cb 0.66 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -6.78 -1.02 0.39 4.39 0.15 -1.26 -5.09 113.70 104.49 2eef s SER 74 Ca -0.23 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.15 2eef s SER 74 Cb 0.07 1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 66.22 2eef s SER 74 CO 0.74 -0.19 0.32 -0.72 1.20 0.00 0.00 173.24 174.58 2eef s TYR 75 N 2.89 2.73 -0.12 3.44 -0.85 -1.26 -4.52 117.35 119.67 2eef s TYR 75 Ca 0.12 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.22 2eef s TYR 75 Cb -0.13 -2.03 -0.01 0.00 0.38 0.00 0.00 41.96 40.17 2eef s TYR 75 CO -0.17 0.02 -0.16 0.99 -1.52 0.00 0.00 175.55 174.71 2eef s THR 76 N -2.45 2.78 -0.77 -3.49 2.01 -1.20 -4.93 115.64 107.59 2eef s THR 76 Ca 0.45 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.42 2eef s THR 76 Cb -0.03 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.37 2eef s THR 76 CO 0.26 0.53 1.35 -1.81 -0.69 0.00 0.00 174.62 174.27 2eef s ASP 77 N 0.35 6.13 -0.11 3.53 1.01 -1.26 -4.01 116.67 122.30 2eef s ASP 77 Ca -0.13 -0.53 -0.24 0.00 0.71 0.00 0.00 52.55 52.36 2eef s ASP 77 Cb -0.16 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 2eef s ASP 77 CO 0.07 -1.85 0.76 -0.36 0.21 0.00 0.00 175.17 174.00 2eef s PHE 78 N 5.94 3.51 0.18 4.23 0.08 -1.06 -4.92 117.98 125.93 2eef s PHE 78 Ca 0.39 1.26 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 2eef s PHE 78 Cb -0.07 -2.91 -0.08 0.00 -0.57 0.00 0.00 43.02 39.39 2eef s PHE 78 CO 0.12 -0.07 1.32 -1.25 -0.10 0.00 0.00 175.22 175.24 2eef s PRO 79 N 1.42 4.38 0.09 0.24 0.04 -1.26 -2.54 135.00 137.38 2eef s PRO 79 Ca 0.38 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 2eef s PRO 79 Cb -0.17 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2eef s PRO 79 CO 0.16 -0.29 0.59 0.00 0.04 0.00 0.00 177.00 177.50 2eef s GLN 81 N -1.24 2.08 -0.14 0.00 -1.52 0.47 -4.84 119.66 114.47 2eef s GLN 81 Ca 0.31 -1.22 -0.03 0.00 -1.95 0.00 0.00 55.36 52.47 2eef s GLN 81 Cb -0.19 -2.48 -0.03 0.00 -0.22 0.00 0.00 33.01 30.09 2eef s GLN 81 CO 0.20 -1.07 -0.04 -0.47 -0.25 0.00 0.00 175.29 173.66 2eef s TYR 82 N -2.89 3.03 -0.33 0.91 5.04 -1.26 -0.69 117.35 121.16 2eef s TYR 82 Ca 0.63 -0.23 -0.13 0.00 -2.44 0.00 0.00 57.07 54.89 2eef s TYR 82 Cb -0.07 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.30 2eef s TYR 82 CO 0.41 0.03 0.27 0.08 -1.34 0.00 0.00 175.55 175.00 2eef s VAL 83 N 0.17 5.25 -0.37 3.14 1.01 -0.43 -4.89 120.40 124.28 2eef s VAL 83 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2eef s VAL 83 Cb -0.14 -3.72 0.45 0.00 0.00 0.00 0.00 36.38 32.98 2eef s VAL 83 CO 0.03 0.01 1.34 2.29 0.00 0.00 0.00 175.10 178.76 2eef n LYS 84 N 5.18 3.44 -1.33 2.72 2.85 -1.26 -4.54 118.16 125.22 2eef n LYS 84 Ca -0.12 -4.04 -0.31 0.00 -1.05 0.00 0.00 58.31 52.79 2eef n LYS 84 Cb 0.50 -2.28 0.09 0.00 -0.65 0.00 0.00 35.03 32.69 2eef n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2eef s ASP 85 N -3.27 4.54 0.31 -5.58 2.15 -1.26 -4.89 116.67 108.67 2eef s ASP 85 Ca 0.53 1.70 0.07 0.00 0.43 0.00 0.00 52.55 55.28 2eef s ASP 85 Cb 0.43 -2.43 0.80 0.00 -0.30 0.00 0.00 42.92 41.41 2eef s ASP 85 CO 0.01 -1.99 1.73 0.00 -0.17 0.00 0.00 175.17 174.75 2eef h THR 86 N -1.10 0.57 -0.01 1.71 1.03 -2.01 -0.98 112.91 112.12 2eef h THR 86 Ca -0.45 -0.20 -0.15 0.00 -0.01 0.00 0.00 66.41 65.61 2eef h THR 86 Cb 1.24 -0.06 0.01 0.00 -1.07 0.00 0.00 68.15 68.26 2eef h THR 86 CO 0.53 0.11 -0.57 1.88 -0.01 0.00 0.00 175.52 177.46 2eef h TYR 87 N 0.58 0.59 -4.16 0.00 0.05 -2.00 -3.46 116.97 108.58 2eef h TYR 87 Ca 0.60 -0.32 -0.51 0.00 0.05 0.00 0.00 58.73 58.56 2eef h TYR 87 Cb 1.09 -0.07 0.09 0.00 1.01 0.00 0.00 36.73 38.85 2eef h TYR 87 CO -0.04 1.13 0.40 0.00 -1.05 0.00 0.00 178.16 178.60 2eef s ALA 88 N -3.24 2.55 0.00 3.88 0.00 -0.37 -4.36 121.76 120.21 2eef s ALA 88 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2eef s ALA 88 Cb 0.03 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2eef s ALA 88 CO 0.82 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2eef n GLY 89 N -0.23 0.58 0.10 0.00 0.00 -1.26 -4.33 105.19 100.05 2eef n GLY 89 Ca 0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N -0.21 1.55 0.03 1.61 7.64 -1.26 -5.00 113.62 117.98 2eef n SER 90 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2eef n SER 90 Cb 0.23 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2eef n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eef n ASP 91 N -4.06 0.42 -4.94 6.43 8.00 -1.26 -5.09 116.55 116.05 2eef n ASP 91 Ca -0.11 0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 2eef n ASP 91 Cb 0.41 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 2eef n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2eef s ARG 92 N -1.42 3.37 0.62 -1.24 1.70 -1.26 -5.00 118.95 115.72 2eef s ARG 92 Ca 0.00 -0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 54.39 2eef s ARG 92 Cb 0.00 -2.89 -0.02 0.00 -0.57 0.00 0.00 34.95 31.47 2eef s ARG 92 CO 0.00 0.48 1.13 -0.51 -1.08 0.00 0.00 175.30 175.32 2eef s ASP 93 N -3.54 5.23 -0.07 -2.89 1.11 -1.26 -4.55 116.67 110.70 2eef s ASP 93 Ca 0.34 2.11 0.01 0.00 0.18 0.00 0.00 52.55 55.18 2eef s ASP 93 Cb -0.10 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.34 2eef s ASP 93 CO 0.28 -1.55 -0.07 -0.89 1.18 0.00 0.00 175.17 174.13 2eef s THR 94 N -2.08 0.80 0.23 -1.27 2.01 -1.26 -3.91 115.64 110.16 2eef s THR 94 Ca 0.70 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.56 2eef s THR 94 Cb -0.23 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2eef s THR 94 CO 0.37 0.30 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.23 2eef s PHE 95 N 1.19 2.74 0.24 4.92 0.40 -0.90 -1.32 117.98 125.25 2eef s PHE 95 Ca -0.06 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 2eef s PHE 95 Cb -0.14 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 2eef s PHE 95 CO -0.02 0.57 -0.10 0.45 0.70 0.00 0.00 175.22 176.83 2eef s SER 96 N -3.34 2.57 -0.04 1.36 0.15 0.13 -0.29 113.70 114.24 2eef s SER 96 Ca 0.29 -1.11 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 2eef s SER 96 Cb -0.08 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2eef s SER 96 CO 0.19 -0.28 0.10 0.72 1.20 0.00 0.00 173.24 175.18 2eef s PHE 97 N -3.04 -0.11 -0.28 3.44 -0.12 0.17 -0.39 117.98 117.65 2eef s PHE 97 Ca 0.26 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 2eef s PHE 97 Cb 0.02 -0.02 0.09 0.00 -0.63 0.00 0.00 43.02 42.48 2eef s PHE 97 CO 0.09 -0.08 0.05 0.16 -0.05 0.00 0.00 175.22 175.38 2eef s ASP 98 N 0.41 3.97 -0.13 1.98 1.47 -1.26 -2.18 116.67 120.92 2eef s ASP 98 Ca -0.03 -1.52 -0.04 0.00 1.18 0.00 0.00 52.55 52.14 2eef s ASP 98 Cb -0.04 -1.03 -0.03 0.00 -0.34 0.00 0.00 42.92 41.47 2eef s ASP 98 CO -0.02 -0.35 0.01 -0.63 0.68 0.00 0.00 175.17 174.86 2eef s ILE 99 N 1.48 4.34 -0.17 2.11 1.01 -1.10 -4.98 121.20 123.89 2eef s ILE 99 Ca 0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 2eef s ILE 99 Cb -0.18 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2eef s ILE 99 CO -0.16 0.53 0.53 -0.94 0.00 0.00 0.00 174.94 174.91 2eef s SER 100 N -0.15 6.63 0.72 3.58 1.04 -1.26 -0.61 113.70 123.65 2eef s SER 100 Ca 0.05 0.76 -0.13 0.00 0.48 0.00 0.00 55.95 57.10 2eef s SER 100 Cb -0.12 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.73 2eef s SER 100 CO 0.02 -0.15 1.13 -0.76 0.98 0.00 0.00 173.24 174.46 2eef s LEU 101 N 1.39 3.24 0.92 2.42 1.43 0.10 -4.92 118.68 123.26 2eef s LEU 101 Ca 0.26 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 2eef s LEU 101 Cb -0.15 -4.55 0.14 0.00 0.03 0.00 0.00 46.19 41.65 2eef s LEU 101 CO 0.10 -2.00 1.09 -2.16 0.23 0.00 0.00 176.35 173.62 2eef s PRO 102 N -4.30 1.09 0.18 1.29 0.04 -1.26 -4.81 135.00 127.22 2eef s PRO 102 Ca 0.67 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 2eef s PRO 102 Cb -0.22 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2eef s PRO 102 CO 0.47 -2.34 1.54 1.05 0.04 0.00 0.00 177.00 177.76 2eef h GLU 103 N -1.62 -0.01 -3.40 4.56 4.11 -1.95 -3.44 114.58 112.83 2eef h GLU 103 Ca -0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 2eef h GLU 103 Cb 1.29 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 2eef h GLU 103 CO 0.55 -0.00 0.03 0.15 0.07 0.00 0.00 179.01 179.81 2eef s LYS 104 N -5.63 1.73 -0.27 1.06 1.02 -1.26 -4.67 119.74 111.72 2eef s LYS 104 Ca -0.13 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 2eef s LYS 104 Cb 0.14 0.53 0.16 0.00 -0.52 0.00 0.00 37.83 38.13 2eef s LYS 104 CO 0.65 -0.76 0.46 0.42 -0.92 0.00 0.00 175.35 175.20 2eef s ILE 105 N -3.72 -0.75 -0.47 2.17 1.01 -1.26 -5.01 121.20 113.17 2eef s ILE 105 Ca 0.19 -0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.88 2eef s ILE 105 Cb -0.03 -0.89 0.55 0.00 0.01 0.00 0.00 42.46 42.11 2eef s ILE 105 CO 0.10 -0.08 1.38 0.00 0.00 0.00 0.00 174.94 176.34 2eef n GLN 106 N 5.39 3.50 -3.20 2.79 6.02 -1.26 -4.88 117.38 125.74 2eef n GLN 106 Ca -0.03 -2.14 -0.16 0.00 -0.01 0.00 0.00 57.00 54.66 2eef n GLN 106 Cb 0.50 -2.01 0.06 0.00 1.02 0.00 0.00 30.24 29.82 2eef n GLN 106 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2eef n SER 107 N 0.32 -4.12 -0.00 1.08 2.88 -1.26 -4.93 113.62 107.60 2eef n SER 107 Ca 0.21 -0.41 0.06 0.00 -1.33 0.00 0.00 58.87 57.40 2eef n SER 107 Cb 0.94 -3.78 -0.08 0.00 -0.75 0.00 0.00 64.21 60.54 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 -3.95 0.00 -4.07 0.66 0.18 -1.26 -4.97 117.16 103.74 2eef n TYR 108 Ca -0.06 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.54 2eef n TYR 108 Cb 0.57 -0.11 -0.16 0.00 -0.38 0.00 0.00 39.34 39.27 2eef n TYR 108 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2eef s GLU 109 N -2.39 0.51 0.61 -3.48 -1.05 -1.26 -5.07 118.70 106.57 2eef s GLU 109 Ca 0.01 -0.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.58 2eef s GLU 109 Cb 0.08 -0.57 -0.03 0.00 -0.44 0.00 0.00 34.13 33.18 2eef s GLU 109 CO 0.49 -0.04 1.26 0.50 0.95 0.00 0.00 175.26 178.42 2eef s ARG 110 N 0.65 2.79 -0.10 -4.83 3.52 -1.26 -4.88 118.95 114.84 2eef s ARG 110 Ca -0.07 1.98 -0.04 0.00 -0.13 0.00 0.00 55.73 57.47 2eef s ARG 110 Cb -0.11 -1.92 0.05 0.00 -1.56 0.00 0.00 34.95 31.41 2eef s ARG 110 CO -0.01 -1.39 0.20 1.41 -0.81 0.00 0.00 175.30 174.71 2eef s MET 111 N -3.31 0.11 0.23 5.12 -2.45 -1.26 -3.23 119.30 114.51 2eef s MET 111 Ca 0.79 0.58 -0.10 0.00 -1.25 0.00 0.00 55.69 55.71 2eef s MET 111 Cb -0.35 -0.16 -0.01 0.00 1.25 0.00 0.00 34.83 35.56 2eef s MET 111 CO 0.38 -0.25 0.39 -1.21 1.05 0.00 0.00 175.02 175.38 2eef s GLU 112 N 1.92 1.43 -0.07 4.11 8.01 -1.14 -2.85 118.70 130.11 2eef s GLU 112 Ca -0.02 -1.30 -0.13 0.00 0.01 0.00 0.00 54.97 53.52 2eef s GLU 112 Cb -0.12 0.42 0.03 0.00 -4.31 0.00 0.00 34.13 30.15 2eef s GLU 112 CO -0.07 -0.57 0.32 -0.59 0.01 0.00 0.00 175.26 174.36 2eef s PHE 113 N -4.04 -0.26 0.10 1.61 -0.12 -1.25 -0.54 117.98 113.49 2eef s PHE 113 Ca 0.25 0.56 0.05 0.00 -0.05 0.00 0.00 56.93 57.74 2eef s PHE 113 Cb 0.01 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 2eef s PHE 113 CO 0.08 -0.28 -0.14 0.00 -0.05 0.00 0.00 175.22 174.83 2eef s ALA 114 N -0.59 1.35 0.14 1.99 0.00 0.76 -4.14 121.76 121.26 2eef s ALA 114 Ca -0.07 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 2eef s ALA 114 Cb -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2eef s ALA 114 CO 0.02 0.11 0.52 0.08 0.00 0.00 0.00 175.76 176.50 2eef s VAL 115 N -1.85 4.90 -0.33 0.00 1.01 -1.16 -1.79 120.40 121.18 2eef s VAL 115 Ca 0.05 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2eef s VAL 115 Cb -0.07 -3.72 0.11 0.00 0.00 0.00 0.00 36.38 32.70 2eef s VAL 115 CO 0.02 0.25 0.13 -0.47 0.00 0.00 0.00 175.10 175.03 2eef s TYR 116 N -1.46 1.58 -0.24 5.22 5.04 -0.98 -2.89 117.35 123.63 2eef s TYR 116 Ca 0.37 -1.77 -0.12 0.00 -2.44 0.00 0.00 57.07 53.11 2eef s TYR 116 Cb -0.15 -1.63 -0.05 0.00 0.35 0.00 0.00 41.96 40.48 2eef s TYR 116 CO 0.19 -0.86 0.22 -0.47 -1.34 0.00 0.00 175.55 173.29 2eef s TYR 117 N 1.43 3.31 -0.08 4.97 5.04 -0.98 -2.49 117.35 128.54 2eef s TYR 117 Ca 0.11 0.29 0.05 0.00 -2.44 0.00 0.00 57.07 55.08 2eef s TYR 117 Cb -0.19 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 2eef s TYR 117 CO -0.21 0.01 -0.24 -2.00 -1.34 0.00 0.00 175.55 171.78 2eef s GLU 118 N 1.25 2.86 -0.24 4.97 2.12 -0.63 -0.52 118.70 128.51 2eef s GLU 118 Ca 0.10 -0.87 -0.28 0.00 0.36 0.00 0.00 54.97 54.27 2eef s GLU 118 Cb -0.14 -2.27 0.16 0.00 0.26 0.00 0.00 34.13 32.14 2eef s GLU 118 CO 0.06 0.27 1.20 0.00 -0.54 0.00 0.00 175.26 176.25 2eef n ASN 120 N 0.98 -3.86 -2.89 0.00 3.02 -1.26 -0.71 115.26 110.54 2eef n ASN 120 Ca -0.07 -0.83 -0.22 0.00 -0.03 0.00 0.00 54.58 53.43 2eef n ASN 120 Cb 0.58 -3.73 0.03 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.66 -0.52 3.30 7.41 0.00 -1.26 -4.99 105.19 107.47 2eef n GLY 121 Ca -0.02 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.57 1.21 -0.22 1.61 -0.21 0.11 -5.14 119.66 111.46 2eef s GLN 122 Ca 0.24 -1.54 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 2eef s GLN 122 Cb -0.11 -0.86 0.07 0.00 1.00 0.00 0.00 33.01 33.12 2eef s GLN 122 CO 0.30 0.11 0.09 0.99 -2.12 0.00 0.00 175.29 174.66 2eef s THR 123 N -3.17 0.11 0.01 -0.19 2.01 -1.26 -2.04 115.64 111.11 2eef s THR 123 Ca 0.20 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 2eef s THR 123 Cb 0.01 -0.87 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 2eef s THR 123 CO 0.04 -0.43 0.41 -0.31 -0.69 0.00 0.00 174.62 173.65 2eef s TYR 124 N 2.03 3.73 -0.17 4.92 2.02 0.32 -4.96 117.35 125.24 2eef s TYR 124 Ca 0.04 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.75 2eef s TYR 124 Cb -0.16 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 2eef s TYR 124 CO -0.18 0.64 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.69 2eef s TRP 125 N -1.09 2.57 -0.45 2.71 0.52 -1.26 -2.32 118.94 119.62 2eef s TRP 125 Ca 0.24 -1.52 -0.04 0.00 0.02 0.00 0.00 56.10 54.80 2eef s TRP 125 Cb -0.17 -1.79 0.12 0.00 -1.15 0.00 0.00 33.47 30.48 2eef s TRP 125 CO 0.14 -0.76 0.26 0.34 0.02 0.00 0.00 176.95 176.94 2eef s ASP 126 N 1.36 5.32 -0.85 2.95 -1.08 -1.14 -5.02 116.67 118.21 2eef s ASP 126 Ca 0.04 -2.13 -0.18 0.00 -0.52 0.00 0.00 52.55 49.75 2eef s ASP 126 Cb -0.13 -1.86 0.14 0.00 -1.46 0.00 0.00 42.92 39.60 2eef s ASP 126 CO -0.12 -0.54 1.00 -0.94 0.52 0.00 0.00 175.17 175.09 2eef s SER 127 N 1.78 6.55 -1.23 -0.34 1.04 -1.26 -2.97 113.70 117.28 2eef s SER 127 Ca 0.09 -1.98 -0.11 0.00 0.48 0.00 0.00 55.95 54.43 2eef s SER 127 Cb -0.23 -2.36 0.11 0.00 0.10 0.00 0.00 66.02 63.64 2eef s SER 127 CO -0.04 -1.03 0.27 -3.20 0.98 0.00 0.00 173.24 170.23 2eef n ASN 128 N 6.21 -0.61 -3.49 7.02 5.15 -1.26 0.15 115.26 128.43 2eef n ASN 128 Ca 0.16 -0.87 -0.21 0.00 -0.60 0.00 0.00 54.58 53.06 2eef n ASN 128 Cb 0.48 -1.11 -0.06 0.00 -0.53 0.00 0.00 39.78 38.57 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2eef n ARG 129 N -3.14 -0.92 0.00 1.20 5.12 -1.26 -3.89 116.66 113.77 2eef n ARG 129 Ca -0.02 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2eef n ARG 129 Cb 0.37 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eef n GLY 130 N -1.57 -2.19 1.27 -0.13 0.00 0.12 -5.05 105.19 97.65 2eef n GLY 130 Ca -0.11 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.62 1.61 4.76 -1.16 -4.98 118.16 114.77 2eef n LYS 131 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 2eef n LYS 131 Cb 0.00 -0.17 -0.05 0.00 -1.84 0.00 0.00 35.03 32.97 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 -5.21 -0.15 -0.82 4.39 4.22 -1.26 -4.58 114.94 111.53 2eef s ASN 132 Ca 0.00 0.19 -0.25 0.00 -2.14 0.00 0.00 52.86 50.66 2eef s ASN 132 Cb 0.00 0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.69 2eef s ASN 132 CO 0.00 -0.13 1.64 -0.31 -2.04 0.00 0.00 177.10 176.27 2eef s TYR 133 N -0.87 2.07 -0.72 1.54 2.02 -1.26 -4.80 117.35 115.33 2eef s TYR 133 Ca 0.05 0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.63 2eef s TYR 133 Cb -0.01 -4.36 0.05 0.00 -0.40 0.00 0.00 41.96 37.23 2eef s TYR 133 CO -0.06 -2.01 1.16 0.50 -1.57 0.00 0.00 175.55 173.57 2eef s ARG 134 N 6.20 3.17 -0.53 -0.62 3.52 -1.26 -3.79 118.95 125.64 2eef s ARG 134 Ca 0.55 -0.53 -0.27 0.00 -0.13 0.00 0.00 55.73 55.35 2eef s ARG 134 Cb -0.07 -4.24 0.03 0.00 -1.56 0.00 0.00 34.95 29.11 2eef s ARG 134 CO 0.06 -2.01 1.09 0.42 -0.81 0.00 0.00 175.30 174.05 2eef s ILE 135 N 5.00 4.21 0.38 4.11 1.01 -1.13 -3.20 121.20 131.57 2eef s ILE 135 Ca 0.30 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2eef s ILE 135 Cb -0.11 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 2eef s ILE 135 CO 0.12 -1.12 0.29 0.27 0.00 0.00 0.00 174.94 174.50 2eef s ILE 136 N 4.44 2.93 1.05 2.92 -4.36 -1.11 -4.77 121.20 122.29 2eef s ILE 136 Ca 0.41 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 59.18 2eef s ILE 136 Cb -0.09 -3.05 0.23 0.00 1.25 0.00 0.00 42.46 40.80 2eef s ILE 136 CO 0.27 -0.08 1.21 -0.60 0.24 0.00 0.00 174.94 175.97 2eef s ARG 137 N -4.02 -0.03 0.06 0.37 3.52 -1.26 -0.92 118.95 116.66 2eef s ARG 137 Ca 0.43 -0.17 0.17 0.00 -0.13 0.00 0.00 55.73 56.03 2eef s ARG 137 Cb -0.03 -1.74 -0.14 0.00 -1.56 0.00 0.00 34.95 31.48 2eef s ARG 137 CO 0.26 -2.90 0.82 0.00 -0.81 0.00 0.00 175.30 172.66 2eef n ALA 138 N -4.17 1.92 -0.03 6.12 0.00 -0.67 -3.94 120.51 119.75 2eef n ALA 138 Ca 0.13 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 2eef n ALA 138 Cb 0.59 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 2eef n ALA 138 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2eef h GLU 139 N 0.00 0.16 -0.00 0.00 -0.00 -1.95 -3.33 114.58 109.47 2eef h GLU 139 Ca -0.17 -0.09 0.01 0.00 -0.00 0.00 0.00 59.36 59.12 2eef h GLU 139 Cb 1.60 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.32 2eef h GLU 139 CO 0.05 0.61 -0.31 -0.07 -0.00 0.00 0.00 179.01 179.28 2eef h LEU 140 N -0.27 -0.96 -8.69 3.06 3.38 -1.97 -3.36 115.31 106.50 2eef h LEU 140 Ca 0.01 0.11 -0.50 0.00 0.09 0.00 0.00 57.88 57.59 2eef h LEU 140 Cb 0.58 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2eef h LEU 140 CO 0.02 -0.30 1.56 -0.75 0.09 0.00 0.00 178.44 179.06 2eef s LYS 141 N -4.57 2.43 0.31 1.13 2.47 -1.25 -4.88 119.74 115.38 2eef s LYS 141 Ca -0.09 1.47 -0.13 0.00 -1.56 0.00 0.00 55.97 55.66 2eef s LYS 141 Cb 0.04 -4.50 0.02 0.00 -1.46 0.00 0.00 37.83 31.92 2eef s LYS 141 CO 0.35 -2.91 0.61 -1.54 0.16 0.00 0.00 175.35 172.02 2eef s SER 142 N 10.67 0.12 -0.39 1.43 1.04 -1.26 -4.93 113.70 120.38 2eef s SER 142 Ca 0.94 -1.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.16 2eef s SER 142 Cb -0.20 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2eef s SER 142 CO 0.28 -1.36 0.40 -0.89 0.98 0.00 0.00 173.24 172.64 2eef s THR 143 N -3.33 5.13 -0.17 2.02 2.01 -1.26 -4.94 115.64 115.10 2eef s THR 143 Ca 0.20 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 2eef s THR 143 Cb -0.03 -3.96 -0.18 0.00 0.01 0.00 0.00 72.50 68.34 2eef s THR 143 CO 0.12 -0.30 0.34 -0.61 -0.69 0.00 0.00 174.62 173.47 2eef h GLN 144 N 8.63 0.00 0.00 4.92 4.15 -2.00 -3.49 115.11 127.32 2eef h GLN 144 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2eef h GLN 144 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2eef h GLN 144 CO 0.75 0.82 0.00 0.41 -1.93 0.00 0.00 178.83 178.88 2eef n GLY 145 N 1.54 0.00 3.74 2.39 0.00 -1.26 -5.15 105.19 106.45 2eef n GLY 145 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2eef n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eef s MET 146 N 0.00 4.20 0.97 1.61 1.75 -1.26 -5.07 119.30 121.50 2eef s MET 146 Ca 0.00 0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.42 2eef s MET 146 Cb 0.00 -3.40 0.18 0.00 2.84 0.00 0.00 34.83 34.44 2eef s MET 146 CO 0.00 0.29 1.11 -0.08 -0.65 0.00 0.00 175.02 175.69 2eef s THR 147 N 0.31 2.15 0.03 10.11 -1.32 -1.26 -5.03 115.64 120.63 2eef s THR 147 Ca 0.17 0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.73 2eef s THR 147 Cb -0.13 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 2eef s THR 147 CO 0.04 -0.06 -0.07 -1.59 -2.21 0.00 0.00 174.62 170.73 2eef s LYS 148 N -4.62 2.48 0.97 7.08 0.00 -1.26 -5.12 119.74 119.27 2eef s LYS 148 Ca 0.67 -0.78 -0.12 0.00 0.00 0.00 0.00 55.97 55.73 2eef s LYS 148 Cb -0.23 -2.47 0.17 0.00 0.00 0.00 0.00 37.83 35.30 2eef s LYS 148 CO 0.60 0.58 1.09 -1.25 0.00 0.00 0.00 175.35 176.37 2eef s PRO 149 N -1.63 0.62 -0.62 1.78 0.04 -1.26 -4.80 135.00 129.13 2eef s PRO 149 Ca 0.19 0.59 -0.40 0.00 0.04 0.00 0.00 61.00 61.42 2eef s PRO 149 Cb -0.11 -1.75 -0.19 0.00 0.04 0.00 0.00 34.50 32.48 2eef s PRO 149 CO 0.10 -2.62 2.29 -2.39 0.04 0.00 0.00 177.00 174.42 2eef n HIS 150 N -4.11 1.03 -0.62 0.56 1.44 -1.26 -4.85 115.22 107.41 2eef n HIS 150 Ca 0.06 0.64 -0.31 0.00 -2.01 0.00 0.00 57.72 56.09 2eef n HIS 150 Cb 0.57 -2.33 0.20 0.00 0.12 0.00 0.00 29.99 28.55 2eef n HIS 150 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2eef n SER 151 N 8.49 -2.27 -2.74 4.39 7.64 -1.26 -5.02 113.62 122.84 2eef n SER 151 Ca 0.57 -0.16 -0.05 0.00 1.01 0.00 0.00 58.87 60.23 2eef n SER 151 Cb -0.00 -1.02 0.03 0.00 -1.01 0.00 0.00 64.21 62.21 2eef n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eef n GLY 152 N 1.82 -0.58 3.56 0.23 0.00 -1.26 -5.09 105.19 103.87 2eef n GLY 152 Ca 0.01 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N 0.75 2.56 0.13 1.61 0.04 -1.26 -4.81 135.00 134.02 2eef s PRO 153 Ca 0.30 -0.36 -0.16 0.00 0.04 0.00 0.00 61.00 60.82 2eef s PRO 153 Cb 0.12 -5.08 -0.01 0.00 0.04 0.00 0.00 34.50 29.57 2eef s PRO 153 CO -0.13 -3.42 1.70 -0.44 0.04 0.00 0.00 177.00 174.74 2eef h ASP 154 N 11.17 0.52 -0.61 6.66 5.19 -2.05 -3.11 116.42 134.18 2eef h ASP 154 Ca 0.11 -0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.46 2eef h ASP 154 Cb 1.00 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 40.27 2eef h ASP 154 CO 1.21 0.52 -0.46 0.25 -3.12 0.00 0.00 179.24 177.64 2eef h LEU 155 N 0.48 -1.59 -0.41 1.55 7.12 -2.08 -3.58 115.31 116.79 2eef h LEU 155 Ca 0.13 0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.40 2eef h LEU 155 Cb 0.15 0.72 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 2eef h LEU 155 CO -0.01 -0.33 0.00 0.61 -0.13 0.00 0.00 178.44 178.57