#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef n SER 2 N 0.00 -3.42 -0.02 1.61 2.88 -1.26 -4.86 113.62 108.55 2eef n SER 2 Ca 0.00 -0.88 -0.09 0.00 -1.33 0.00 0.00 58.87 56.58 2eef n SER 2 Cb 0.00 -3.48 -0.02 0.00 -0.75 0.00 0.00 64.21 59.96 2eef n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2eef h SER 3 N -1.87 -0.47 0.00 -3.46 0.02 -2.10 -3.47 113.55 102.21 2eef h SER 3 Ca -0.59 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2eef h SER 3 Cb 1.38 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2eef h SER 3 CO 0.69 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 2eef n GLY 4 N -1.30 0.58 3.58 -3.77 0.00 -1.26 -5.06 105.19 97.97 2eef n GLY 4 Ca -0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2eef n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eef s SER 5 N -0.69 6.09 -0.86 1.61 1.04 -1.26 -4.95 113.70 114.68 2eef s SER 5 Ca 0.00 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 2eef s SER 5 Cb 0.00 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.80 2eef s SER 5 CO 0.00 -1.72 0.77 -0.55 0.98 0.00 0.00 173.24 172.72 2eef s SER 6 N 4.68 6.31 0.03 7.02 0.15 -1.26 -5.01 113.70 125.61 2eef s SER 6 Ca 0.55 -3.22 0.00 0.00 0.70 0.00 0.00 55.95 53.99 2eef s SER 6 Cb -0.12 -2.04 -0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2eef s SER 6 CO 0.26 -0.35 0.03 0.61 1.20 0.00 0.00 173.24 174.98 2eef n GLY 7 N 3.12 3.45 2.38 9.45 0.00 -1.26 -5.05 105.19 117.29 2eef n GLY 7 Ca 0.17 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef n ALA 8 N -2.83 6.26 -2.72 4.61 0.00 -1.26 -4.92 120.51 119.64 2eef n ALA 8 Ca -0.01 -3.38 -0.42 0.00 0.00 0.00 0.00 53.44 49.62 2eef n ALA 8 Cb 0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 2eef n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2eef s GLU 9 N -3.61 3.20 -0.37 0.00 0.41 -1.26 -4.98 118.70 112.09 2eef s GLU 9 Ca 0.59 -0.51 0.02 0.00 -0.41 0.00 0.00 54.97 54.66 2eef s GLU 9 Cb 0.47 -4.17 0.10 0.00 -1.78 0.00 0.00 34.13 28.76 2eef s GLU 9 CO -0.08 -1.82 0.11 -1.54 -0.49 0.00 0.00 175.26 171.44 2eef s SER 10 N 3.47 4.91 0.45 -0.19 1.04 -1.26 -4.89 113.70 117.22 2eef s SER 10 Ca 0.28 -2.15 0.07 0.00 0.48 0.00 0.00 55.95 54.63 2eef s SER 10 Cb -0.13 -1.69 0.02 0.00 0.10 0.00 0.00 66.02 64.31 2eef s SER 10 CO 0.14 -0.43 0.61 -1.61 0.98 0.00 0.00 173.24 172.94 2eef s GLU 11 N 0.93 2.76 1.22 4.02 2.02 -1.26 -5.10 118.70 123.29 2eef s GLU 11 Ca 0.10 -1.19 -0.16 0.00 0.02 0.00 0.00 54.97 53.74 2eef s GLU 11 Cb -0.20 -2.72 0.30 0.00 0.10 0.00 0.00 34.13 31.61 2eef s GLU 11 CO -0.07 -0.36 1.02 -1.12 0.02 0.00 0.00 175.26 174.75 2eef s SER 12 N -4.37 0.59 0.32 -0.19 0.01 -1.26 -4.87 113.70 103.93 2eef s SER 12 Ca 0.56 1.16 0.03 0.00 1.31 0.00 0.00 55.95 59.00 2eef s SER 12 Cb -0.10 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2eef s SER 12 CO 0.34 -4.39 0.13 -0.36 0.41 0.00 0.00 173.24 169.37 2eef s PHE 13 N -2.55 1.67 0.33 2.43 0.40 -1.26 -1.79 117.98 117.21 2eef s PHE 13 Ca 0.68 -1.26 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 2eef s PHE 13 Cb -0.19 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2eef s PHE 13 CO 0.61 -0.37 0.48 1.33 0.70 0.00 0.00 175.22 177.97 2eef n VAL 14 N -0.63 0.00 -4.21 -0.44 0.24 -0.79 -4.45 118.33 108.05 2eef n VAL 14 Ca -0.01 -1.55 -0.35 0.00 -2.04 0.00 0.00 64.34 60.39 2eef n VAL 14 Cb 0.65 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.92 2eef n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2eef s LEU 15 N 0.00 3.70 -0.39 1.34 1.43 -1.26 -2.83 118.68 120.67 2eef s LEU 15 Ca 0.25 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2eef s LEU 15 Cb -0.01 -1.89 0.55 0.00 0.03 0.00 0.00 46.19 44.87 2eef s LEU 15 CO 0.18 0.29 1.79 -0.67 0.23 0.00 0.00 176.35 178.17 2eef n ASP 16 N 2.74 3.83 -3.93 2.29 2.03 -1.22 -4.90 116.55 117.38 2eef n ASP 16 Ca -0.18 -3.37 -0.10 0.00 0.52 0.00 0.00 54.79 51.67 2eef n ASP 16 Cb 0.53 -0.80 -0.11 0.00 -0.72 0.00 0.00 41.12 40.03 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -2.80 0.16 0.38 -0.67 -0.12 -1.26 -4.98 117.98 108.69 2eef s PHE 17 Ca 0.48 -0.35 -0.24 0.00 -0.05 0.00 0.00 56.93 56.78 2eef s PHE 17 Cb 0.40 -0.13 -0.10 0.00 -0.63 0.00 0.00 43.02 42.57 2eef s PHE 17 CO 0.09 -0.23 0.96 -1.54 -0.05 0.00 0.00 175.22 174.44 2eef s SER 18 N -1.40 7.11 0.28 1.98 1.04 -1.26 -4.99 113.70 116.46 2eef s SER 18 Ca -0.15 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 2eef s SER 18 Cb -0.09 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.35 2eef s SER 18 CO 0.00 -0.23 1.51 0.00 0.98 0.00 0.00 173.24 175.50 2eef n GLN 19 N -0.02 2.43 -0.08 4.02 1.13 -1.26 -4.92 117.38 118.68 2eef n GLN 19 Ca 0.04 0.86 -0.13 0.00 -1.94 0.00 0.00 57.00 55.84 2eef n GLN 19 Cb 0.52 -2.59 -0.05 0.00 0.11 0.00 0.00 30.24 28.22 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 4.42 0.54 -0.91 -1.09 0.13 -1.81 -3.12 132.00 130.17 2eef h PRO 20 Ca -0.46 -0.28 0.21 0.00 -0.87 0.00 0.00 66.00 64.60 2eef h PRO 20 Cb 1.25 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2eef h PRO 20 CO 0.77 0.87 0.61 0.66 -0.23 0.00 0.00 178.00 180.67 2eef h SER 21 N 0.23 0.36 -0.88 1.44 4.64 -1.73 -1.91 113.55 115.71 2eef h SER 21 Ca 0.04 0.04 0.32 0.00 -0.47 0.00 0.00 61.79 61.72 2eef h SER 21 Cb 0.77 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.72 2eef h SER 21 CO 0.05 0.14 0.54 0.00 -0.87 0.00 0.00 176.83 176.69 2eef n ALA 22 N -2.54 0.88 -3.75 5.18 0.00 -1.18 -2.76 120.51 116.34 2eef n ALA 22 Ca 0.19 0.65 -0.37 0.00 0.00 0.00 0.00 53.44 53.92 2eef n ALA 22 Cb 0.74 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -4.47 5.28 0.12 0.00 1.11 -0.72 -4.97 116.67 113.03 2eef s ASP 23 Ca -0.06 -2.17 -0.24 0.00 0.18 0.00 0.00 52.55 50.27 2eef s ASP 23 Cb 0.22 -1.85 -0.05 0.00 1.07 0.00 0.00 42.92 42.32 2eef s ASP 23 CO 0.57 -0.53 1.66 0.22 1.18 0.00 0.00 175.17 178.27 2eef h TYR 24 N 7.90 -0.46 0.25 4.23 3.20 -1.78 0.21 116.97 130.52 2eef h TYR 24 Ca -0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2eef h TYR 24 Cb 1.03 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2eef h TYR 24 CO 0.58 -0.25 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.66 2eef h LEU 25 N -0.27 -0.29 -1.38 2.82 -0.00 -1.93 0.11 115.31 114.38 2eef h LEU 25 Ca 0.07 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2eef h LEU 25 Cb 0.36 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2eef h LEU 25 CO -0.20 -0.17 0.72 -0.78 -0.00 0.00 0.00 178.44 178.01 2eef h ASP 26 N -0.41 0.00 0.00 -0.43 1.82 -1.95 -0.25 116.42 115.20 2eef h ASP 26 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2eef h ASP 26 Cb 0.26 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 2eef h ASP 26 CO 0.06 0.00 -0.14 0.15 -1.61 0.00 0.00 179.24 177.69 2eef h PHE 27 N 0.00 0.00 -0.77 0.28 3.04 -0.35 -3.33 116.94 115.81 2eef h PHE 27 Ca 0.18 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.35 2eef h PHE 27 Cb 1.62 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.10 2eef h PHE 27 CO 0.00 0.08 0.55 0.07 -2.02 0.00 0.00 178.31 176.99 2eef h ARG 28 N -1.00 0.03 -0.78 1.11 0.11 0.59 0.15 114.38 114.59 2eef h ARG 28 Ca -0.01 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2eef h ARG 28 Cb 0.20 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 2eef h ARG 28 CO -0.00 0.02 0.47 -0.91 0.10 0.00 0.00 179.97 179.65 2eef h ASN 29 N 0.03 0.93 0.49 0.08 2.35 -1.23 -1.14 115.58 117.09 2eef h ASN 29 Ca 0.37 -0.05 -0.26 0.00 -0.55 0.00 0.00 56.30 55.81 2eef h ASN 29 Cb 1.42 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.56 2eef h ASN 29 CO -0.02 0.71 -1.13 0.03 -1.65 0.00 0.00 177.43 175.38 2eef h ARG 30 N 1.07 0.34 0.00 0.81 2.47 -0.83 -2.52 114.38 115.73 2eef h ARG 30 Ca 0.28 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2eef h ARG 30 Cb -0.05 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2eef h ARG 30 CO -0.05 1.18 0.00 -0.11 0.56 0.00 0.00 179.97 181.55 2eef n LEU 31 N -3.63 0.45 -0.01 3.04 7.94 -0.86 0.41 117.00 124.34 2eef n LEU 31 Ca -0.08 0.60 0.09 0.00 -1.11 0.00 0.00 56.01 55.51 2eef n LEU 31 Cb 0.95 -0.53 -0.14 0.00 0.53 0.00 0.00 43.42 44.23 2eef n LEU 31 CO 0.53 -0.41 -0.66 1.67 -1.11 0.00 0.00 177.39 177.41 2eef n GLN 32 N -1.98 0.61 -0.05 1.96 7.27 -0.47 -2.49 117.38 122.22 2eef n GLN 32 Ca 0.03 -0.16 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2eef n GLN 32 Cb 0.23 -1.44 -0.14 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 -2.09 2.11 0.11 1.69 0.00 -0.95 -4.51 120.51 116.87 2eef n ALA 33 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 53.44 52.59 2eef n ALA 33 Cb 0.48 -0.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.42 0.54 -2.66 0.00 2.03 0.17 -5.00 116.55 109.21 2eef n ASP 34 Ca -0.17 -0.77 -0.19 0.00 0.52 0.00 0.00 54.79 54.19 2eef n ASP 34 Cb 0.80 0.60 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -0.58 -1.44 -3.63 -0.67 8.25 -1.04 -4.80 115.22 111.31 2eef n HIS 35 Ca 0.01 0.16 -0.06 0.00 -0.26 0.00 0.00 57.72 57.57 2eef n HIS 35 Cb 0.05 -3.54 -0.06 0.00 1.12 0.00 0.00 29.99 27.55 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 -2.91 0.00 -0.30 1.59 0.11 -1.25 -3.56 120.40 114.09 2eef s VAL 36 Ca 0.11 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.00 2eef s VAL 36 Cb -0.05 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.98 2eef s VAL 36 CO 0.14 0.00 1.15 0.00 -3.33 0.00 0.00 175.10 173.06 2eef s LEU 38 N 1.24 4.35 -0.01 0.00 2.96 -1.26 -2.02 118.68 123.94 2eef s LEU 38 Ca -0.08 2.28 -0.01 0.00 -0.22 0.00 0.00 54.13 56.10 2eef s LEU 38 Cb -0.03 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.08 2eef s LEU 38 CO -0.12 -0.70 0.12 -0.08 -1.32 0.00 0.00 176.35 174.25 2eef h GLU 39 N 7.32 -0.02 -3.93 1.98 4.81 -1.66 -3.40 114.58 119.69 2eef h GLU 39 Ca -0.41 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.59 2eef h GLU 39 Cb 1.20 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.32 2eef h GLU 39 CO 0.88 -0.01 -0.72 0.54 -0.73 0.00 0.00 179.01 178.97 2eef s ASN 40 N -3.23 0.20 -0.05 1.04 4.22 -1.24 -2.88 114.94 113.00 2eef s ASN 40 Ca -0.00 -0.18 -0.01 0.00 -2.14 0.00 0.00 52.86 50.53 2eef s ASN 40 Cb 0.00 0.02 0.03 0.00 1.28 0.00 0.00 41.25 42.58 2eef s ASN 40 CO 0.01 -0.08 0.02 0.00 -2.04 0.00 0.00 177.10 175.01 2eef s VAL 42 N 1.79 2.64 -0.12 0.00 -7.23 0.82 -4.99 120.40 113.30 2eef s VAL 42 Ca 0.01 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2eef s VAL 42 Cb -0.12 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.87 2eef s VAL 42 CO -0.03 -0.10 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.30 2eef s LEU 43 N -3.87 1.64 0.00 1.32 0.20 -1.26 -2.37 118.68 114.34 2eef s LEU 43 Ca 0.39 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.81 2eef s LEU 43 Cb 0.01 -1.07 0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2eef s LEU 43 CO 0.22 -0.02 0.17 0.29 -0.29 0.00 0.00 176.35 176.72 2eef n LYS 44 N 4.44 1.11 -1.80 1.98 4.01 0.21 -5.00 118.16 123.12 2eef n LYS 44 Ca -0.18 -1.91 -0.43 0.00 -0.51 0.00 0.00 58.31 55.29 2eef n LYS 44 Cb 0.51 0.28 -0.03 0.00 -0.51 0.00 0.00 35.03 35.28 2eef n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2eef s ASP 45 N -2.70 6.13 -1.09 4.39 1.01 -1.26 -2.63 116.67 120.53 2eef s ASP 45 Ca 0.13 2.10 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 2eef s ASP 45 Cb -0.01 -2.52 0.10 0.00 1.01 0.00 0.00 42.92 41.49 2eef s ASP 45 CO 0.08 -1.39 0.37 0.29 0.21 0.00 0.00 175.17 174.73 2eef n LYS 46 N 7.93 -2.45 -3.50 8.23 4.01 -1.26 -4.86 118.16 126.25 2eef n LYS 46 Ca 0.22 0.24 -0.11 0.00 -0.51 0.00 0.00 58.31 58.16 2eef n LYS 46 Cb 0.44 -4.85 -0.03 0.00 -0.51 0.00 0.00 35.03 30.07 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 -2.75 -1.80 0.20 7.82 0.00 -1.08 -0.90 121.76 123.26 2eef s ALA 47 Ca 0.40 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.46 2eef s ALA 47 Cb -0.23 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2eef s ALA 47 CO 0.49 -0.59 -0.02 0.96 0.00 0.00 0.00 175.76 176.61 2eef s ILE 48 N -2.58 0.94 -0.16 0.00 -4.36 -0.24 0.65 121.20 115.45 2eef s ILE 48 Ca 0.01 -2.02 -0.20 0.00 -0.26 0.00 0.00 60.65 58.17 2eef s ILE 48 Cb -0.01 -2.19 0.05 0.00 1.25 0.00 0.00 42.46 41.56 2eef s ILE 48 CO -0.05 -0.44 0.54 0.00 0.24 0.00 0.00 174.94 175.23 2eef s ALA 49 N -3.48 -1.34 -0.12 2.27 0.00 -1.00 -2.70 121.76 115.38 2eef s ALA 49 Ca 0.25 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 2eef s ALA 49 Cb 0.05 -0.66 0.12 0.00 0.00 0.00 0.00 23.12 22.64 2eef s ALA 49 CO 0.06 -0.27 0.99 0.20 0.00 0.00 0.00 175.76 176.74 2eef s GLY 50 N -0.11 -0.32 -0.18 0.00 0.00 -0.91 -0.13 107.32 105.68 2eef s GLY 50 Ca -0.03 1.73 -0.04 0.00 0.00 0.00 0.00 44.72 46.38 2eef s GLY 50 CO 0.02 0.80 -0.03 -0.51 0.00 0.00 0.00 173.10 173.39 2eef s THR 51 N -1.75 3.77 -0.12 0.90 -4.23 -0.75 -0.97 115.64 112.49 2eef s THR 51 Ca 0.01 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2eef s THR 51 Cb -0.01 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2eef s THR 51 CO -0.02 0.46 0.10 -0.69 -0.54 0.00 0.00 174.62 173.94 2eef s VAL 52 N 0.73 5.20 0.05 2.29 1.01 0.27 -1.63 120.40 128.33 2eef s VAL 52 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2eef s VAL 52 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2eef s VAL 52 CO 0.02 0.60 0.05 -0.75 0.00 0.00 0.00 175.10 175.02 2eef s LYS 53 N -0.83 2.83 0.24 2.72 2.47 -0.86 -0.88 119.74 125.42 2eef s LYS 53 Ca 0.14 -0.67 -0.06 0.00 -1.56 0.00 0.00 55.97 53.81 2eef s LYS 53 Cb -0.12 -2.70 -0.02 0.00 -1.46 0.00 0.00 37.83 33.53 2eef s LYS 53 CO 0.03 0.59 0.32 0.14 0.16 0.00 0.00 175.35 176.58 2eef s VAL 54 N -1.28 0.00 0.02 4.02 -7.23 -1.25 -2.17 120.40 112.51 2eef s VAL 54 Ca 0.26 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2eef s VAL 54 Cb -0.12 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2eef s VAL 54 CO 0.18 0.00 0.25 -1.10 -0.31 0.00 0.00 175.10 174.11 2eef s GLN 55 N -3.99 3.52 -1.31 4.82 -0.21 -1.23 -4.55 119.66 116.72 2eef s GLN 55 Ca 0.31 -0.20 -0.07 0.00 0.02 0.00 0.00 55.36 55.42 2eef s GLN 55 Cb 0.03 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 31.01 2eef s GLN 55 CO 0.12 0.63 2.68 -1.71 -2.12 0.00 0.00 175.29 174.89 2eef n ASN 56 N 0.85 8.08 0.19 5.90 2.85 -1.26 -4.64 115.26 127.22 2eef n ASN 56 Ca -0.09 -2.91 -0.12 0.00 -0.11 0.00 0.00 54.58 51.35 2eef n ASN 56 Cb 0.52 -1.43 -0.06 0.00 1.24 0.00 0.00 39.78 40.05 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2eef h LEU 57 N 5.94 -0.45 -9.45 1.20 3.38 -1.95 -3.45 115.31 110.53 2eef h LEU 57 Ca 0.72 -0.11 -0.65 0.00 0.09 0.00 0.00 57.88 57.93 2eef h LEU 57 Cb 0.38 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 2eef h LEU 57 CO 1.49 -0.02 -0.67 0.00 0.09 0.00 0.00 178.44 179.33 2eef s ALA 58 N -4.34 3.27 0.11 1.53 0.00 -1.26 -5.02 121.76 116.04 2eef s ALA 58 Ca -0.12 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 2eef s ALA 58 Cb 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2eef s ALA 58 CO 0.41 0.70 1.08 1.97 0.00 0.00 0.00 175.76 179.91 2eef n PHE 59 N 0.62 -0.29 -4.29 0.00 -1.74 -1.26 -4.45 117.46 106.05 2eef n PHE 59 Ca -0.11 0.84 -0.24 0.00 -0.56 0.00 0.00 57.45 57.38 2eef n PHE 59 Cb 0.52 -0.54 -0.08 0.00 1.52 0.00 0.00 39.48 40.90 2eef n PHE 59 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2eef s GLU 60 N -5.20 2.27 0.36 3.97 2.02 -1.26 -5.10 118.70 115.75 2eef s GLU 60 Ca -0.08 -1.37 0.07 0.00 0.02 0.00 0.00 54.97 53.61 2eef s GLU 60 Cb 0.07 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 2eef s GLU 60 CO 0.41 0.38 0.25 -1.59 0.02 0.00 0.00 175.26 174.74 2eef s LYS 61 N -3.48 1.84 -0.15 1.61 -2.85 -1.26 -4.81 119.74 110.64 2eef s LYS 61 Ca 0.30 -2.09 -0.04 0.00 -1.00 0.00 0.00 55.97 53.14 2eef s LYS 61 Cb -0.07 0.11 0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2eef s LYS 61 CO 0.19 -0.63 0.14 0.99 0.10 0.00 0.00 175.35 176.13 2eef s THR 62 N -3.35 -0.19 -0.11 3.79 2.01 -0.66 -5.05 115.64 112.09 2eef s THR 62 Ca 0.36 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.41 2eef s THR 62 Cb 0.02 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 2eef s THR 62 CO 0.25 -0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.20 2eef s VAL 63 N 2.22 2.65 -0.21 3.82 1.01 -1.26 -0.67 120.40 127.97 2eef s VAL 63 Ca 0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 2eef s VAL 63 Cb -0.15 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.25 2eef s VAL 63 CO -0.08 0.55 0.47 -0.54 0.00 0.00 0.00 175.10 175.49 2eef s LYS 64 N 0.19 0.42 0.23 2.72 1.02 -0.99 -2.06 119.74 121.26 2eef s LYS 64 Ca -0.10 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 2eef s LYS 64 Cb -0.16 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 2eef s LYS 64 CO 0.06 -0.20 0.99 0.42 -0.92 0.00 0.00 175.35 175.70 2eef s ILE 65 N 2.10 3.98 -0.42 2.17 -1.09 -0.71 -2.33 121.20 124.90 2eef s ILE 65 Ca -0.06 1.92 -0.04 0.00 -2.23 0.00 0.00 60.65 60.24 2eef s ILE 65 Cb -0.10 -4.22 0.11 0.00 -1.58 0.00 0.00 42.46 36.67 2eef s ILE 65 CO -0.14 0.43 0.22 -0.60 -1.23 0.00 0.00 174.94 173.62 2eef s ARG 66 N -1.04 2.07 0.15 2.79 3.52 -0.45 -2.49 118.95 123.51 2eef s ARG 66 Ca 0.43 -1.81 0.07 0.00 -0.13 0.00 0.00 55.73 54.29 2eef s ARG 66 Cb -0.27 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 2eef s ARG 66 CO 0.34 -1.09 -0.04 1.41 -0.81 0.00 0.00 175.30 175.11 2eef s MET 67 N 1.17 2.29 0.10 5.12 1.75 -1.25 -0.86 119.30 127.63 2eef s MET 67 Ca 0.08 -1.09 -0.14 0.00 -1.25 0.00 0.00 55.69 53.29 2eef s MET 67 Cb -0.23 -2.33 0.02 0.00 2.84 0.00 0.00 34.83 35.13 2eef s MET 67 CO -0.04 0.47 0.33 -0.08 -0.65 0.00 0.00 175.02 175.05 2eef s THR 68 N -1.56 0.09 0.00 10.11 -1.32 -0.86 -2.41 115.64 119.70 2eef s THR 68 Ca 0.25 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 2eef s THR 68 Cb -0.10 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2eef s THR 68 CO 0.17 -0.42 0.68 0.49 -2.21 0.00 0.00 174.62 173.32 2eef n PHE 69 N -0.07 0.00 -3.39 9.09 3.01 -1.26 -3.05 117.46 121.80 2eef n PHE 69 Ca -0.16 -0.21 -0.26 0.00 1.01 0.00 0.00 57.45 57.82 2eef n PHE 69 Cb 0.63 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 2eef n PHE 69 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2eef n ASP 70 N -0.21 2.39 -3.75 4.37 2.03 -1.23 -4.40 116.55 115.74 2eef n ASP 70 Ca 0.00 -3.14 -0.27 0.00 0.52 0.00 0.00 54.79 51.89 2eef n ASP 70 Cb 0.33 -0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 40.01 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2eef n THR 71 N 1.20 -0.31 -3.21 5.18 -1.04 -1.19 0.17 114.28 115.08 2eef n THR 71 Ca 0.26 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.05 61.97 2eef n THR 71 Cb 0.45 -0.51 0.07 0.00 -1.82 0.00 0.00 70.33 68.52 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 -3.29 -1.87 -0.00 -1.42 7.02 -1.26 -4.94 117.44 111.68 2eef n TRP 72 Ca -0.05 0.79 -0.00 0.00 -1.02 0.00 0.00 57.50 57.22 2eef n TRP 72 Cb 0.40 -4.58 -0.00 0.00 -2.42 0.00 0.00 31.31 24.71 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 -3.66 3.05 -3.60 -0.99 5.02 0.45 -4.91 118.16 113.53 2eef n LYS 73 Ca -0.23 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.78 2eef n LYS 73 Cb 0.64 -1.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.54 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 -3.24 2.85 0.26 4.39 0.15 -1.26 -5.03 113.70 111.82 2eef s SER 74 Ca -0.00 -3.26 0.07 0.00 0.70 0.00 0.00 55.95 53.45 2eef s SER 74 Cb 0.00 -0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2eef s SER 74 CO 0.00 -0.16 0.26 -0.72 1.20 0.00 0.00 173.24 173.82 2eef s TYR 75 N -0.39 3.17 0.06 3.44 -0.85 -1.26 -4.14 117.35 117.38 2eef s TYR 75 Ca 0.28 -0.11 0.06 0.00 -0.52 0.00 0.00 57.07 56.78 2eef s TYR 75 Cb -0.03 -1.51 -0.03 0.00 0.38 0.00 0.00 41.96 40.78 2eef s TYR 75 CO -0.16 0.44 -0.16 0.99 -1.52 0.00 0.00 175.55 175.14 2eef s THR 76 N -2.12 1.31 -0.55 -3.49 2.01 -1.01 -5.00 115.64 106.79 2eef s THR 76 Ca 0.35 -1.22 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 2eef s THR 76 Cb -0.08 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.31 2eef s THR 76 CO 0.26 -0.04 0.70 1.51 -0.69 0.00 0.00 174.62 176.37 2eef s ASP 77 N -1.46 6.21 -0.32 3.53 -4.77 -1.26 -3.76 116.67 114.85 2eef s ASP 77 Ca 0.02 -1.07 -0.15 0.00 -3.30 0.00 0.00 52.55 48.06 2eef s ASP 77 Cb -0.09 -2.31 -0.02 0.00 -1.09 0.00 0.00 42.92 39.40 2eef s ASP 77 CO 0.02 -1.04 0.35 -0.36 0.70 0.00 0.00 175.17 174.84 2eef s PHE 78 N 2.86 3.22 0.15 2.11 0.08 -1.04 -4.96 117.98 120.40 2eef s PHE 78 Ca 0.15 0.11 -0.31 0.00 0.12 0.00 0.00 56.93 57.01 2eef s PHE 78 Cb -0.20 -2.61 -0.08 0.00 -0.57 0.00 0.00 43.02 39.55 2eef s PHE 78 CO 0.10 -0.35 1.34 -1.25 -0.10 0.00 0.00 175.22 174.96 2eef s PRO 79 N 2.01 4.36 0.44 0.24 0.04 -1.26 -1.73 135.00 139.09 2eef s PRO 79 Ca 0.12 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 2eef s PRO 79 Cb -0.16 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 2eef s PRO 79 CO 0.11 -0.34 0.96 0.00 0.04 0.00 0.00 177.00 177.77 2eef n GLN 81 N -0.78 0.26 -4.07 0.00 6.02 0.81 -4.88 117.38 114.74 2eef n GLN 81 Ca 0.07 -2.85 -0.35 0.00 -0.01 0.00 0.00 57.00 53.86 2eef n GLN 81 Cb 0.54 -0.44 -0.14 0.00 1.02 0.00 0.00 30.24 31.22 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2eef s TYR 82 N -2.75 2.94 -0.32 1.08 5.04 -1.26 -2.12 117.35 119.96 2eef s TYR 82 Ca 0.62 -0.85 -0.29 0.00 -2.44 0.00 0.00 57.07 54.11 2eef s TYR 82 Cb -0.04 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.22 2eef s TYR 82 CO 0.40 -0.46 1.15 0.08 -1.34 0.00 0.00 175.55 175.39 2eef s VAL 83 N 1.23 4.37 -0.45 3.14 1.01 -1.06 -4.92 120.40 123.72 2eef s VAL 83 Ca 0.03 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 2eef s VAL 83 Cb -0.14 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 31.97 2eef s VAL 83 CO -0.02 -0.49 0.36 -0.75 0.00 0.00 0.00 175.10 174.20 2eef s LYS 84 N 3.84 2.94 0.17 2.72 2.47 -1.26 -4.77 119.74 125.85 2eef s LYS 84 Ca 0.49 -1.30 -0.20 0.00 -1.56 0.00 0.00 55.97 53.40 2eef s LYS 84 Cb -0.14 -4.06 0.05 0.00 -1.46 0.00 0.00 37.83 32.22 2eef s LYS 84 CO 0.18 -0.97 0.56 0.34 0.16 0.00 0.00 175.35 175.63 2eef s ASP 85 N 2.37 -0.42 0.26 1.43 2.15 -1.26 -5.00 116.67 116.21 2eef s ASP 85 Ca 0.04 -0.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.79 2eef s ASP 85 Cb -0.23 0.59 0.42 0.00 -0.30 0.00 0.00 42.92 43.39 2eef s ASP 85 CO 0.07 -1.00 1.87 0.00 -0.17 0.00 0.00 175.17 175.94 2eef h THR 86 N 2.10 1.05 0.10 1.71 1.03 -2.04 -2.68 112.91 114.19 2eef h THR 86 Ca -0.32 -0.38 -0.21 0.00 -0.01 0.00 0.00 66.41 65.50 2eef h THR 86 Cb 1.29 -0.16 0.02 0.00 -1.07 0.00 0.00 68.15 68.23 2eef h THR 86 CO 0.38 0.20 -0.87 1.88 -0.01 0.00 0.00 175.52 177.11 2eef h TYR 87 N 1.11 0.69 -2.53 0.00 0.05 -1.99 -3.37 116.97 110.93 2eef h TYR 87 Ca 0.43 -0.44 -0.55 0.00 0.05 0.00 0.00 58.73 58.22 2eef h TYR 87 Cb 0.22 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2eef h TYR 87 CO -0.01 1.31 1.16 0.00 -1.05 0.00 0.00 178.16 179.57 2eef s ALA 88 N -2.81 3.48 0.00 3.88 0.00 -1.01 -2.76 121.76 122.54 2eef s ALA 88 Ca -0.12 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2eef s ALA 88 Cb 0.03 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2eef s ALA 88 CO 0.86 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2eef n GLY 89 N 4.45 3.06 0.30 0.00 0.00 0.19 -4.20 105.19 108.99 2eef n GLY 89 Ca 0.19 -0.85 0.23 0.00 0.00 0.00 0.00 46.02 45.60 2eef n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eef n SER 90 N 1.31 0.16 -0.01 1.61 3.41 -1.11 -3.40 113.62 115.58 2eef n SER 90 Ca 0.00 1.52 -0.03 0.00 -0.26 0.00 0.00 58.87 60.10 2eef n SER 90 Cb 0.00 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 63.27 2eef n SER 90 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2eef n ASP 91 N -5.15 0.98 -3.00 4.04 8.00 -1.26 -5.11 116.55 115.05 2eef n ASP 91 Ca 0.30 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.79 2eef n ASP 91 Cb 1.00 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 2eef n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2eef n ARG 92 N -3.45 0.77 -3.68 -1.24 1.74 -1.22 -5.11 116.66 104.48 2eef n ARG 92 Ca -0.04 -2.11 -0.37 0.00 -0.77 0.00 0.00 57.85 54.55 2eef n ARG 92 Cb 0.16 1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 32.58 2eef n ARG 92 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2eef s ASP 93 N -2.54 5.79 -0.31 0.55 1.47 -1.26 -0.63 116.67 119.73 2eef s ASP 93 Ca 0.11 -0.03 -0.05 0.00 1.18 0.00 0.00 52.55 53.77 2eef s ASP 93 Cb 0.01 -2.06 0.03 0.00 -0.34 0.00 0.00 42.92 40.56 2eef s ASP 93 CO 0.08 -0.00 0.06 -0.89 0.68 0.00 0.00 175.17 175.10 2eef s THR 94 N 1.46 3.61 0.18 2.11 2.01 -1.26 -3.81 115.64 119.94 2eef s THR 94 Ca 0.07 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 2eef s THR 94 Cb -0.15 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 2eef s THR 94 CO 0.07 -0.04 0.44 -0.36 -0.69 0.00 0.00 174.62 174.04 2eef s PHE 95 N 1.40 3.46 0.30 4.92 0.40 -0.06 -2.57 117.98 125.84 2eef s PHE 95 Ca -0.01 0.64 0.11 0.00 -0.60 0.00 0.00 56.93 57.07 2eef s PHE 95 Cb -0.18 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 2eef s PHE 95 CO 0.01 0.36 -0.16 0.45 0.70 0.00 0.00 175.22 176.59 2eef s SER 96 N -2.52 3.67 -0.15 1.36 0.15 -0.90 0.94 113.70 116.25 2eef s SER 96 Ca 0.43 -1.08 -0.12 0.00 0.70 0.00 0.00 55.95 55.88 2eef s SER 96 Cb -0.12 -0.33 0.04 0.00 -1.71 0.00 0.00 66.02 63.91 2eef s SER 96 CO 0.24 -0.05 0.38 0.72 1.20 0.00 0.00 173.24 175.74 2eef s PHE 97 N -2.54 -0.46 -0.28 3.44 -0.12 -0.15 -0.14 117.98 117.74 2eef s PHE 97 Ca 0.31 1.07 -0.01 0.00 -0.05 0.00 0.00 56.93 58.24 2eef s PHE 97 Cb -0.02 0.17 0.09 0.00 -0.63 0.00 0.00 43.02 42.62 2eef s PHE 97 CO 0.16 -0.24 0.07 0.16 -0.05 0.00 0.00 175.22 175.32 2eef s ASP 98 N 0.56 3.77 0.01 1.98 -4.77 -1.26 -2.15 116.67 114.81 2eef s ASP 98 Ca -0.03 -1.42 -0.01 0.00 -3.30 0.00 0.00 52.55 47.79 2eef s ASP 98 Cb -0.05 -0.82 -0.04 0.00 -1.09 0.00 0.00 42.92 40.92 2eef s ASP 98 CO -0.03 -0.38 0.14 -0.63 0.70 0.00 0.00 175.17 174.97 2eef s ILE 99 N 1.66 5.08 -0.24 2.11 1.01 -1.10 -4.97 121.20 124.75 2eef s ILE 99 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 2eef s ILE 99 Cb -0.17 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2eef s ILE 99 CO -0.20 0.28 0.13 -0.44 0.00 0.00 0.00 174.94 174.72 2eef s SER 100 N -2.00 5.85 0.65 3.58 0.01 -1.26 -1.08 113.70 119.44 2eef s SER 100 Ca 0.27 0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.41 2eef s SER 100 Cb -0.12 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2eef s SER 100 CO 0.19 0.05 1.10 -0.76 0.41 0.00 0.00 173.24 174.23 2eef s LEU 101 N 1.16 3.40 0.92 2.44 1.43 -0.08 -4.93 118.68 123.02 2eef s LEU 101 Ca 0.06 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2eef s LEU 101 Cb -0.14 -4.55 0.14 0.00 0.03 0.00 0.00 46.19 41.68 2eef s LEU 101 CO 0.05 -1.56 1.09 -2.16 0.23 0.00 0.00 176.35 174.00 2eef s PRO 102 N -4.11 1.06 0.36 1.29 0.04 -1.26 -4.81 135.00 127.56 2eef s PRO 102 Ca 0.66 0.75 0.14 0.00 0.04 0.00 0.00 61.00 62.59 2eef s PRO 102 Cb -0.20 -1.79 1.00 0.00 0.04 0.00 0.00 34.50 33.56 2eef s PRO 102 CO 0.41 -2.36 1.75 1.05 0.04 0.00 0.00 177.00 177.89 2eef h GLU 103 N -1.63 0.47 -2.10 4.56 9.09 -1.97 -3.45 114.58 119.55 2eef h GLU 103 Ca -0.51 -0.03 0.31 0.00 0.05 0.00 0.00 59.36 59.19 2eef h GLU 103 Cb 1.29 -0.11 -0.07 0.00 -1.65 0.00 0.00 28.75 28.22 2eef h GLU 103 CO 0.55 0.31 0.84 -1.59 0.05 0.00 0.00 179.01 179.17 2eef s LYS 104 N -5.63 0.54 -0.22 1.06 -2.85 -1.26 -4.97 119.74 106.42 2eef s LYS 104 Ca -0.10 -0.34 -0.04 0.00 -1.00 0.00 0.00 55.97 54.49 2eef s LYS 104 Cb 0.26 0.15 0.11 0.00 -2.06 0.00 0.00 37.83 36.30 2eef s LYS 104 CO 0.80 -0.25 0.36 0.42 0.10 0.00 0.00 175.35 176.78 2eef s ILE 105 N -2.11 -0.57 -0.17 3.79 1.01 -1.26 -5.02 121.20 116.86 2eef s ILE 105 Ca 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.93 2eef s ILE 105 Cb -0.00 -0.72 0.14 0.00 0.01 0.00 0.00 42.46 41.88 2eef s ILE 105 CO -0.00 -0.05 1.85 0.00 0.00 0.00 0.00 174.94 176.74 2eef n GLN 106 N 5.37 1.44 -3.21 2.79 6.02 -1.26 -4.80 117.38 123.72 2eef n GLN 106 Ca -0.05 -0.90 -0.23 0.00 -0.01 0.00 0.00 57.00 55.81 2eef n GLN 106 Cb 0.50 -1.35 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 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 0.67 -1.14 -0.49 1.08 2.88 -1.26 -4.69 113.62 110.66 2eef n SER 107 Ca 0.17 -0.57 0.13 0.00 -1.33 0.00 0.00 58.87 57.27 2eef n SER 107 Cb 0.60 -1.02 0.33 0.00 -0.75 0.00 0.00 64.21 63.37 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 -2.70 0.00 -3.88 0.66 4.11 -1.26 -4.96 117.16 109.14 2eef n TYR 108 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.86 2eef n TYR 108 Cb 0.33 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.34 39.61 2eef n TYR 108 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2eef n GLU 109 N 0.10 0.67 -3.86 -3.48 -0.58 -1.26 -5.08 120.64 107.15 2eef n GLU 109 Ca 0.15 -2.16 -0.31 0.00 -0.42 0.00 0.00 57.16 54.41 2eef n GLU 109 Cb 0.41 2.22 -0.04 0.00 -0.57 0.00 0.00 31.44 33.46 2eef n GLU 109 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2eef s ARG 110 N -2.50 3.48 -0.05 3.49 3.52 -1.26 -4.94 118.95 120.70 2eef s ARG 110 Ca 0.21 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2eef s ARG 110 Cb -0.02 -3.00 0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2eef s ARG 110 CO 0.15 0.58 0.02 1.41 -0.81 0.00 0.00 175.30 176.65 2eef s MET 111 N -2.49 0.29 0.29 5.12 -2.45 -1.26 -3.19 119.30 115.61 2eef s MET 111 Ca 0.36 0.17 -0.12 0.00 -1.25 0.00 0.00 55.69 54.85 2eef s MET 111 Cb -0.13 -0.65 0.01 0.00 1.25 0.00 0.00 34.83 35.31 2eef s MET 111 CO 0.26 -0.24 0.55 -1.21 1.05 0.00 0.00 175.02 175.43 2eef s GLU 112 N 1.64 1.76 -0.15 4.11 2.02 -1.17 -3.18 118.70 123.73 2eef s GLU 112 Ca -0.01 -1.37 -0.10 0.00 0.02 0.00 0.00 54.97 53.50 2eef s GLU 112 Cb -0.13 0.50 0.05 0.00 0.10 0.00 0.00 34.13 34.65 2eef s GLU 112 CO -0.03 -0.76 0.38 -0.59 0.02 0.00 0.00 175.26 174.28 2eef s PHE 113 N -3.52 -0.51 -0.04 1.61 -0.12 -1.23 -2.02 117.98 112.15 2eef s PHE 113 Ca 0.22 1.14 0.06 0.00 -0.05 0.00 0.00 56.93 58.30 2eef s PHE 113 Cb -0.02 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2eef s PHE 113 CO 0.12 -0.28 -0.22 0.00 -0.05 0.00 0.00 175.22 174.79 2eef s ALA 114 N 0.91 1.91 -0.08 1.99 0.00 -0.04 -4.05 121.76 122.40 2eef s ALA 114 Ca -0.06 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 2eef s ALA 114 Cb -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2eef s ALA 114 CO -0.07 0.38 1.21 0.08 0.00 0.00 0.00 175.76 177.36 2eef s VAL 115 N -0.18 4.26 -0.52 0.00 1.01 -1.05 -1.34 120.40 122.58 2eef s VAL 115 Ca -0.01 1.58 -0.04 0.00 0.00 0.00 0.00 61.98 63.50 2eef s VAL 115 Cb -0.12 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.38 2eef s VAL 115 CO 0.02 -0.03 0.35 -0.47 0.00 0.00 0.00 175.10 174.97 2eef s TYR 116 N 2.44 3.50 -0.39 5.22 5.04 -0.98 -2.07 117.35 130.10 2eef s TYR 116 Ca 0.56 -2.42 -0.14 0.00 -2.44 0.00 0.00 57.07 52.63 2eef s TYR 116 Cb -0.24 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 38.79 2eef s TYR 116 CO 0.21 -0.93 0.27 -0.47 -1.34 0.00 0.00 175.55 173.29 2eef s TYR 117 N 0.66 3.24 -0.16 4.97 5.04 -0.79 -2.34 117.35 127.97 2eef s TYR 117 Ca 0.12 -0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 54.10 2eef s TYR 117 Cb -0.22 -2.54 -0.04 0.00 0.35 0.00 0.00 41.96 39.51 2eef s TYR 117 CO -0.03 -0.56 0.06 -2.00 -1.34 0.00 0.00 175.55 171.68 2eef s GLU 118 N 1.67 3.72 -0.18 4.97 -6.30 0.16 -1.79 118.70 120.95 2eef s GLU 118 Ca 0.05 -0.32 -0.30 0.00 -2.50 0.00 0.00 54.97 51.90 2eef s GLU 118 Cb -0.19 -3.14 0.14 0.00 0.00 0.00 0.00 34.13 30.94 2eef s GLU 118 CO 0.09 0.43 1.05 0.00 0.02 0.00 0.00 175.26 176.85 2eef n ASN 120 N 0.68 -1.79 -3.59 0.00 3.02 -1.26 -0.11 115.26 112.21 2eef n ASN 120 Ca -0.09 -1.02 -0.26 0.00 -0.03 0.00 0.00 54.58 53.18 2eef n ASN 120 Cb 0.58 -2.83 0.04 0.00 -0.61 0.00 0.00 39.78 36.95 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 -1.74 -0.52 3.39 7.41 0.00 -1.26 -4.98 105.19 107.50 2eef n GLY 121 Ca -0.12 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.29 1.58 -0.17 1.61 -1.52 0.84 -5.15 119.66 110.56 2eef s GLN 122 Ca 0.54 -1.88 -0.04 0.00 -1.95 0.00 0.00 55.36 52.03 2eef s GLN 122 Cb -0.26 -0.52 0.08 0.00 -0.22 0.00 0.00 33.01 32.09 2eef s GLN 122 CO 0.67 -0.29 0.20 0.99 -0.25 0.00 0.00 175.29 176.61 2eef s THR 123 N -3.51 -0.29 -0.10 -0.19 2.01 -1.26 -2.71 115.64 109.59 2eef s THR 123 Ca 0.36 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 2eef s THR 123 Cb 0.07 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 2eef s THR 123 CO 0.15 -0.11 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.59 2eef s TYR 124 N 2.30 2.94 -0.21 4.92 2.02 -0.74 -4.99 117.35 123.59 2eef s TYR 124 Ca 0.05 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2eef s TYR 124 Cb -0.15 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2eef s TYR 124 CO -0.10 0.17 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.34 2eef s TRP 125 N -0.36 2.92 -0.42 2.71 0.52 -1.26 -1.88 118.94 121.18 2eef s TRP 125 Ca 0.05 -1.50 -0.04 0.00 0.02 0.00 0.00 56.10 54.63 2eef s TRP 125 Cb -0.12 -2.00 0.11 0.00 -1.15 0.00 0.00 33.47 30.31 2eef s TRP 125 CO 0.02 -0.73 0.22 0.34 0.02 0.00 0.00 176.95 176.82 2eef s ASP 126 N 1.33 5.33 -0.25 2.95 2.15 -0.88 -4.94 116.67 122.36 2eef s ASP 126 Ca 0.03 -1.98 -0.02 0.00 0.43 0.00 0.00 52.55 51.01 2eef s ASP 126 Cb -0.15 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.69 2eef s ASP 126 CO -0.08 -0.56 0.06 -0.94 -0.17 0.00 0.00 175.17 173.48 2eef s SER 127 N 1.95 3.48 -0.35 -0.34 1.04 -1.26 -2.54 113.70 115.68 2eef s SER 127 Ca 0.07 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2eef s SER 127 Cb -0.23 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2eef s SER 127 CO -0.03 -0.35 0.00 0.59 0.98 0.00 0.00 173.24 174.42 2eef n ASN 128 N 4.96 -1.44 -3.59 7.02 4.13 -1.26 -1.59 115.26 123.49 2eef n ASN 128 Ca -0.06 0.26 -0.29 0.00 1.68 0.00 0.00 54.58 56.16 2eef n ASN 128 Cb 0.44 -1.49 -0.05 0.00 -1.54 0.00 0.00 39.78 37.14 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2eef n ARG 129 N -1.94 -0.84 0.00 3.52 5.12 -1.26 -4.29 116.66 116.96 2eef n ARG 129 Ca -0.04 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2eef n ARG 129 Cb 0.33 -3.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.32 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 -0.88 -1.26 0.00 -0.13 0.00 -0.62 -5.08 105.19 97.22 2eef n GLY 130 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -1.26 -5.01 118.16 114.65 2eef n LYS 131 Ca 0.00 0.10 -0.05 0.00 -2.87 0.00 0.00 58.31 55.50 2eef n LYS 131 Cb 0.00 -0.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 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 -2.12 -0.14 -0.74 4.39 2.20 -1.26 -4.89 114.94 112.38 2eef s ASN 132 Ca 0.00 0.08 -0.26 0.00 -0.94 0.00 0.00 52.86 51.74 2eef s ASN 132 Cb 0.00 0.13 -0.07 0.00 -2.00 0.00 0.00 41.25 39.30 2eef s ASN 132 CO 0.00 -0.18 2.15 -0.31 -2.94 0.00 0.00 177.10 175.82 2eef s TYR 133 N -1.72 1.45 -0.21 1.54 2.02 -1.26 -4.70 117.35 114.47 2eef s TYR 133 Ca 0.07 1.24 -0.29 0.00 -0.37 0.00 0.00 57.07 57.73 2eef s TYR 133 Cb -0.01 -3.79 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 2eef s TYR 133 CO -0.05 -1.93 1.01 0.50 -1.57 0.00 0.00 175.55 173.51 2eef s ARG 134 N 7.81 4.28 -0.43 -0.62 3.52 -1.26 -3.54 118.95 128.71 2eef s ARG 134 Ca 0.81 1.32 -0.12 0.00 -0.13 0.00 0.00 55.73 57.62 2eef s ARG 134 Cb -0.11 -3.62 0.07 0.00 -1.56 0.00 0.00 34.95 29.72 2eef s ARG 134 CO 0.10 -0.56 0.30 0.42 -0.81 0.00 0.00 175.30 174.75 2eef s ILE 135 N 2.96 4.61 0.70 4.11 1.01 -1.19 -3.44 121.20 129.95 2eef s ILE 135 Ca 0.44 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2eef s ILE 135 Cb -0.16 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.67 2eef s ILE 135 CO 0.08 -0.50 0.96 0.27 0.00 0.00 0.00 174.94 175.75 2eef s ILE 136 N 1.51 2.05 0.58 2.92 -4.36 -1.13 -4.83 121.20 117.94 2eef s ILE 136 Ca 0.03 -0.73 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 2eef s ILE 136 Cb -0.23 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.18 2eef s ILE 136 CO 0.04 0.00 0.87 -0.60 0.24 0.00 0.00 174.94 175.49 2eef s ARG 137 N -5.04 2.78 0.12 0.37 3.52 -1.26 -1.88 118.95 117.57 2eef s ARG 137 Ca 0.66 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 56.01 2eef s ARG 137 Cb -0.05 -2.32 -0.10 0.00 -1.56 0.00 0.00 34.95 30.93 2eef s ARG 137 CO 0.43 -0.73 1.30 0.00 -0.81 0.00 0.00 175.30 175.50 2eef h ALA 138 N -0.14 0.36 -0.15 6.12 0.00 -1.57 -2.98 119.26 120.90 2eef h ALA 138 Ca -0.45 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 53.67 2eef h ALA 138 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2eef h ALA 138 CO 0.59 0.78 -0.38 1.05 0.00 0.00 0.00 179.25 181.29 2eef h GLU 139 N 0.29 0.33 0.55 0.00 4.11 -1.95 -3.25 114.58 114.65 2eef h GLU 139 Ca -0.08 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 2eef h GLU 139 Cb 1.54 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2eef h GLU 139 CO 0.16 0.67 -0.26 -0.07 0.07 0.00 0.00 179.01 179.58 2eef h LEU 140 N 0.28 -0.62 -8.93 3.06 3.38 -1.95 -3.43 115.31 107.10 2eef h LEU 140 Ca 0.03 -0.04 -0.76 0.00 0.09 0.00 0.00 57.88 57.20 2eef h LEU 140 Cb 0.80 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2eef h LEU 140 CO 0.06 -0.24 0.97 1.17 0.09 0.00 0.00 178.44 180.49 2eef n LYS 141 N -5.29 0.81 -5.22 1.13 3.00 -1.13 -4.94 118.16 106.53 2eef n LYS 141 Ca -0.11 0.28 -0.30 0.00 -0.00 0.00 0.00 58.31 58.19 2eef n LYS 141 Cb 0.32 -1.97 -0.16 0.00 0.00 0.00 0.00 35.03 33.22 2eef n LYS 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2eef s SER 142 N 4.15 2.91 -0.41 3.14 0.15 -1.26 -4.98 113.70 117.40 2eef s SER 142 Ca 1.03 -0.46 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 2eef s SER 142 Cb -1.17 -0.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.67 2eef s SER 142 CO 0.67 0.27 0.25 0.42 1.20 0.00 0.00 173.24 176.05 2eef s THR 143 N -0.38 4.33 -0.02 6.45 -4.23 -1.26 -4.96 115.64 115.56 2eef s THR 143 Ca 0.04 -1.26 -0.25 0.00 -1.18 0.00 0.00 61.69 59.04 2eef s THR 143 Cb -0.11 -3.59 -0.19 0.00 1.34 0.00 0.00 72.50 69.95 2eef s THR 143 CO 0.01 -0.44 1.23 1.56 -0.54 0.00 0.00 174.62 176.45 2eef h GLN 144 N 8.42 -0.09 -3.41 3.99 1.08 -2.03 -3.49 115.11 119.58 2eef h GLN 144 Ca -0.24 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2eef h GLN 144 Cb 1.09 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2eef h GLN 144 CO 0.74 0.35 -0.89 0.41 -0.95 0.00 0.00 178.83 178.49 2eef n GLY 145 N 0.14 -3.96 3.56 3.46 0.00 -1.26 -5.05 105.19 102.08 2eef n GLY 145 Ca -0.08 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 2eef n GLY 145 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eef s MET 146 N -5.30 1.96 0.05 1.61 -1.94 -1.26 -5.17 119.30 109.25 2eef s MET 146 Ca 0.00 -2.20 0.06 0.00 -1.71 0.00 0.00 55.69 51.84 2eef s MET 146 Cb 0.00 -0.84 -0.02 0.00 2.01 0.00 0.00 34.83 35.98 2eef s MET 146 CO 0.00 -0.43 -0.17 -0.08 -0.01 0.00 0.00 175.02 174.34 2eef s THR 147 N -3.14 1.32 -0.18 2.05 -1.32 -1.26 -5.14 115.64 107.97 2eef s THR 147 Ca 0.21 -1.10 -0.30 0.00 -1.21 0.00 0.00 61.69 59.29 2eef s THR 147 Cb 0.03 -1.18 0.14 0.00 -1.51 0.00 0.00 72.50 69.98 2eef s THR 147 CO 0.12 0.06 1.05 -1.59 -2.21 0.00 0.00 174.62 172.05 2eef s LYS 148 N -1.21 0.51 -0.41 7.08 -2.85 -1.26 -5.12 119.74 116.48 2eef s LYS 148 Ca 0.04 0.11 -0.28 0.00 -1.00 0.00 0.00 55.97 54.84 2eef s LYS 148 Cb -0.08 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 2eef s LYS 148 CO 0.02 -0.16 1.74 -1.25 0.10 0.00 0.00 175.35 175.79 2eef s PRO 149 N -1.16 3.22 -0.37 1.78 0.04 -1.26 -4.91 135.00 132.35 2eef s PRO 149 Ca 0.00 1.15 -0.41 0.00 0.04 0.00 0.00 61.00 61.78 2eef s PRO 149 Cb -0.01 -4.21 -0.16 0.00 0.04 0.00 0.00 34.50 30.17 2eef s PRO 149 CO -0.00 -2.00 1.88 -2.39 0.04 0.00 0.00 177.00 174.53 2eef n HIS 150 N 10.56 1.76 -3.57 0.56 1.44 -1.26 -4.89 115.22 119.82 2eef n HIS 150 Ca 0.21 0.64 -0.07 0.00 -2.01 0.00 0.00 57.72 56.49 2eef n HIS 150 Cb 0.48 -2.40 -0.03 0.00 0.12 0.00 0.00 29.99 28.16 2eef n HIS 150 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2eef s SER 151 N 4.62 -0.25 -0.32 4.39 1.04 -1.26 -5.15 113.70 116.78 2eef s SER 151 Ca 1.06 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 2eef s SER 151 Cb -1.18 0.23 0.19 0.00 0.10 0.00 0.00 66.02 65.36 2eef s SER 151 CO 0.66 -0.33 0.86 -0.83 0.98 0.00 0.00 173.24 174.57 2eef s GLY 152 N -1.77 -1.19 0.76 7.32 0.00 -1.26 -5.17 107.32 106.01 2eef s GLY 152 Ca 0.05 1.37 -0.11 0.00 0.00 0.00 0.00 44.72 46.03 2eef s GLY 152 CO -0.04 3.96 1.09 2.56 0.00 0.00 0.00 173.10 180.68 2eef s PRO 153 N 2.56 2.32 0.76 2.90 0.04 -1.26 -5.00 135.00 137.32 2eef s PRO 153 Ca 0.19 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 2eef s PRO 153 Cb -0.03 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2eef s PRO 153 CO -0.20 -1.60 1.20 0.16 0.04 0.00 0.00 177.00 176.60 2eef s ASP 154 N -3.29 4.01 0.48 6.66 -4.77 -1.26 -5.01 116.67 113.49 2eef s ASP 154 Ca 0.62 2.34 -0.06 0.00 -3.30 0.00 0.00 52.55 52.15 2eef s ASP 154 Cb -0.18 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.03 2eef s ASP 154 CO 0.54 -2.39 0.79 -1.48 0.70 0.00 0.00 175.17 173.34 2eef s LEU 155 N -5.36 3.63 0.00 2.11 2.34 -1.26 -5.35 118.68 114.78 2eef s LEU 155 Ca 0.73 0.97 0.32 0.00 0.06 0.00 0.00 54.13 56.21 2eef s LEU 155 Cb -0.28 -3.92 1.90 0.00 -0.56 0.00 0.00 46.19 43.32 2eef s LEU 155 CO 0.47 -0.57 2.22 0.61 -1.06 0.00 0.00 176.35 178.02