#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 -0.22 0.09 1.61 1.04 -1.26 -5.19 113.70 109.77 2eef s SER 2 Ca 0.00 -0.68 -0.26 0.00 0.48 0.00 0.00 55.95 55.49 2eef s SER 2 Cb 0.00 0.71 0.08 0.00 0.10 0.00 0.00 66.02 66.91 2eef s SER 2 CO 0.00 -1.33 0.74 -0.44 0.98 0.00 0.00 173.24 173.19 2eef s SER 3 N -2.94 -0.47 0.00 7.02 0.01 -1.26 -5.15 113.70 110.91 2eef s SER 3 Ca 0.13 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2eef s SER 3 Cb -0.05 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2eef s SER 3 CO 0.08 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2eef n GLY 4 N -0.32 4.11 3.48 3.44 0.00 -1.26 -5.12 105.19 109.52 2eef n GLY 4 Ca -0.13 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.47 0.06 1.61 1.04 -1.26 -5.18 113.70 109.50 2eef s SER 5 Ca 0.00 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.43 2eef s SER 5 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2eef s SER 5 CO 0.00 -0.87 -0.13 -0.44 0.98 0.00 0.00 173.24 172.77 2eef s SER 6 N -2.68 1.54 0.00 7.02 0.01 -1.26 -4.96 113.70 113.37 2eef s SER 6 Ca 0.03 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2eef s SER 6 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2eef s SER 6 CO -0.10 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2eef n GLY 7 N 1.34 -1.88 2.27 3.44 0.00 -1.26 -5.02 105.19 104.09 2eef n GLY 7 Ca -0.21 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 4.60 -3.66 4.61 0.00 -1.26 -4.96 120.51 119.84 2eef n ALA 8 Ca 0.00 -3.72 -0.37 0.00 0.00 0.00 0.00 53.44 49.35 2eef n ALA 8 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.59 2.88 -0.27 0.00 8.01 -1.26 -5.05 118.70 119.42 2eef s GLU 9 Ca 0.46 -2.78 -0.38 0.00 0.01 0.00 0.00 54.97 52.28 2eef s GLU 9 Cb 0.40 -3.86 -0.14 0.00 -4.31 0.00 0.00 34.13 26.22 2eef s GLU 9 CO -0.02 -1.21 1.90 -1.13 0.01 0.00 0.00 175.26 174.80 2eef n SER 10 N 3.13 2.48 -4.29 -0.19 3.41 -1.26 -4.94 113.62 111.97 2eef n SER 10 Ca 0.13 0.88 -0.28 0.00 -0.26 0.00 0.00 58.87 59.33 2eef n SER 10 Cb 0.38 -1.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.05 2eef n SER 10 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2eef s GLU 11 N 4.42 2.03 0.31 4.33 2.02 -1.26 -5.16 118.70 125.39 2eef s GLU 11 Ca 1.01 -2.26 0.06 0.00 0.02 0.00 0.00 54.97 53.80 2eef s GLU 11 Cb -0.96 -0.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.38 2eef s GLU 11 CO 0.59 -0.46 0.42 -1.54 0.02 0.00 0.00 175.26 174.29 2eef s SER 12 N -3.70 5.98 0.50 -0.19 1.04 -1.26 -4.89 113.70 111.19 2eef s SER 12 Ca 0.17 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.50 2eef s SER 12 Cb 0.02 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.79 2eef s SER 12 CO 0.11 -0.33 0.30 -0.36 0.98 0.00 0.00 173.24 173.94 2eef s PHE 13 N -2.14 1.95 0.27 5.02 0.40 -1.26 -1.81 117.98 120.40 2eef s PHE 13 Ca 0.42 -0.78 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 2eef s PHE 13 Cb -0.09 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2eef s PHE 13 CO 0.30 -0.21 0.44 0.14 0.70 0.00 0.00 175.22 176.59 2eef s VAL 14 N -2.73 0.00 -0.13 -0.44 -7.23 0.09 -4.45 120.40 105.50 2eef s VAL 14 Ca 0.33 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2eef s VAL 14 Cb -0.01 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2eef s VAL 14 CO 0.19 0.00 0.13 -0.76 -0.31 0.00 0.00 175.10 174.35 2eef s LEU 15 N -3.10 4.30 -0.33 1.32 1.43 -1.26 -2.22 118.68 118.82 2eef s LEU 15 Ca 0.27 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2eef s LEU 15 Cb 0.00 -2.05 0.50 0.00 0.03 0.00 0.00 46.19 44.66 2eef s LEU 15 CO 0.12 0.37 1.68 -0.67 0.23 0.00 0.00 176.35 178.09 2eef n ASP 16 N 2.23 3.56 -3.78 2.29 2.03 -1.23 -4.88 116.55 116.76 2eef n ASP 16 Ca -0.19 -3.19 -0.13 0.00 0.52 0.00 0.00 54.79 51.80 2eef n ASP 16 Cb 0.54 -0.75 -0.10 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.44 -0.19 0.46 -0.67 -0.12 -1.26 -4.97 117.98 108.79 2eef s PHE 17 Ca 0.42 0.37 -0.21 0.00 -0.05 0.00 0.00 56.93 57.47 2eef s PHE 17 Cb 0.35 0.07 -0.09 0.00 -0.63 0.00 0.00 43.02 42.73 2eef s PHE 17 CO 0.08 -0.29 1.01 -1.12 -0.05 0.00 0.00 175.22 174.85 2eef s SER 18 N -0.82 6.58 0.36 1.98 0.01 -1.26 -4.99 113.70 115.55 2eef s SER 18 Ca -0.09 1.86 -0.28 0.00 1.31 0.00 0.00 55.95 58.74 2eef s SER 18 Cb -0.05 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 2eef s SER 18 CO 0.02 -0.61 1.50 0.00 0.41 0.00 0.00 173.24 174.56 2eef n GLN 19 N -0.78 2.66 -0.07 12.44 1.13 -1.26 -4.93 117.38 126.58 2eef n GLN 19 Ca 0.08 0.94 -0.13 0.00 -1.94 0.00 0.00 57.00 55.95 2eef n GLN 19 Cb 0.53 -2.67 -0.06 0.00 0.11 0.00 0.00 30.24 28.14 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 3.31 0.47 -1.01 -1.09 0.13 -1.81 -3.18 132.00 128.82 2eef h PRO 20 Ca -0.50 -0.25 0.27 0.00 -0.87 0.00 0.00 66.00 64.66 2eef h PRO 20 Cb 1.24 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2eef h PRO 20 CO 0.67 0.82 0.60 0.66 -0.23 0.00 0.00 178.00 180.51 2eef h SER 21 N 0.14 0.62 -0.83 1.44 4.64 -1.73 -0.23 113.55 117.60 2eef h SER 21 Ca 0.03 0.15 0.35 0.00 -0.47 0.00 0.00 61.79 61.85 2eef h SER 21 Cb 0.73 0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 62.73 2eef h SER 21 CO 0.05 0.03 0.43 0.00 -0.87 0.00 0.00 176.83 176.48 2eef n ALA 22 N -2.32 0.84 -3.64 5.18 0.00 -1.20 -2.97 120.51 116.40 2eef n ALA 22 Ca 0.28 0.85 -0.39 0.00 0.00 0.00 0.00 53.44 54.18 2eef n ALA 22 Cb 0.83 -0.84 -0.09 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 -4.61 5.53 0.31 0.00 1.01 -0.10 -4.95 116.67 113.86 2eef s ASP 23 Ca -0.08 -2.08 0.02 0.00 0.71 0.00 0.00 52.55 51.13 2eef s ASP 23 Cb 0.28 -1.94 0.58 0.00 1.01 0.00 0.00 42.92 42.86 2eef s ASP 23 CO 0.65 -0.60 1.89 0.22 0.21 0.00 0.00 175.17 177.54 2eef h TYR 24 N 8.14 1.02 0.32 4.23 3.20 -1.77 0.16 116.97 132.28 2eef h TYR 24 Ca -0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2eef h TYR 24 Cb 1.05 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2eef h TYR 24 CO 0.63 0.49 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.41 2eef h LEU 25 N 0.97 -0.37 -1.80 2.82 -0.00 -1.92 -0.79 115.31 114.23 2eef h LEU 25 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 2eef h LEU 25 Cb 0.32 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2eef h LEU 25 CO -0.17 0.09 0.15 -0.78 -0.00 0.00 0.00 178.44 177.72 2eef h ASP 26 N -1.09 0.00 0.00 -0.43 3.58 -1.89 -1.19 116.42 115.40 2eef h ASP 26 Ca -0.04 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 2eef h ASP 26 Cb 0.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2eef h ASP 26 CO 0.07 0.00 -0.59 0.15 -2.88 0.00 0.00 179.24 175.99 2eef h PHE 27 N 0.00 0.00 -0.83 0.28 3.04 -0.65 -3.37 116.94 115.40 2eef h PHE 27 Ca 0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 2eef h PHE 27 Cb 0.29 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 2eef h PHE 27 CO 0.00 0.39 0.55 0.07 -2.02 0.00 0.00 178.31 177.30 2eef h ARG 28 N -1.00 0.51 -0.84 1.11 0.11 -0.70 0.33 114.38 113.90 2eef h ARG 28 Ca -0.08 -0.03 0.17 0.00 0.10 0.00 0.00 59.98 60.13 2eef h ARG 28 Cb 0.65 -0.12 -0.06 0.00 1.11 0.00 0.00 29.97 31.55 2eef h ARG 28 CO -0.05 0.34 0.55 -0.91 0.10 0.00 0.00 179.97 180.00 2eef h ASN 29 N 0.53 0.47 0.52 0.08 2.35 -1.40 0.49 115.58 118.61 2eef h ASN 29 Ca 0.42 0.03 -0.28 0.00 -0.55 0.00 0.00 56.30 55.92 2eef h ASN 29 Cb 0.84 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.17 2eef h ASN 29 CO -0.16 0.22 -1.26 0.03 -1.65 0.00 0.00 177.43 174.61 2eef h ARG 30 N 0.49 0.35 0.00 0.81 2.47 -1.10 0.53 114.38 117.93 2eef h ARG 30 Ca 0.42 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2eef h ARG 30 Cb 0.92 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2eef h ARG 30 CO -0.16 1.26 0.00 -0.11 0.56 0.00 0.00 179.97 181.51 2eef n LEU 31 N -3.60 0.30 -0.08 3.04 7.94 -0.22 0.24 117.00 124.63 2eef n LEU 31 Ca -0.10 0.54 -0.09 0.00 -1.11 0.00 0.00 56.01 55.24 2eef n LEU 31 Cb 1.02 -0.45 -0.11 0.00 0.53 0.00 0.00 43.42 44.41 2eef n LEU 31 CO 0.55 -0.12 -1.02 1.67 -1.11 0.00 0.00 177.39 177.35 2eef n GLN 32 N -1.79 1.22 -0.02 1.96 -0.06 0.16 -2.93 117.38 115.92 2eef n GLN 32 Ca 0.06 0.03 -0.03 0.00 -2.00 0.00 0.00 57.00 55.06 2eef n GLN 32 Cb 0.34 -1.38 -0.13 0.00 -4.06 0.00 0.00 30.24 25.02 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2eef n ALA 33 N -2.71 1.84 0.25 1.69 0.00 0.17 -4.36 120.51 117.39 2eef n ALA 33 Ca -0.27 -0.81 0.04 0.00 0.00 0.00 0.00 53.44 52.40 2eef n ALA 33 Cb 0.94 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 1.16 -1.78 0.00 2.03 0.14 -5.00 116.55 110.30 2eef n ASP 34 Ca -0.17 -0.48 -0.16 0.00 0.52 0.00 0.00 54.79 54.50 2eef n ASP 34 Cb 0.93 1.10 -0.01 0.00 -0.72 0.00 0.00 41.12 42.42 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 -1.34 -0.70 -3.63 -0.67 8.25 -0.73 -4.80 115.22 111.61 2eef n HIS 35 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 2eef n HIS 35 Cb 0.14 -3.25 -0.05 0.00 1.12 0.00 0.00 29.99 27.94 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 -2.78 0.00 -0.09 1.59 0.11 -1.17 -3.34 120.40 114.71 2eef s VAL 36 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 2eef s VAL 36 Cb 0.00 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 2eef s VAL 36 CO 0.00 0.00 1.00 0.00 -3.33 0.00 0.00 175.10 172.77 2eef s LEU 38 N -2.03 4.31 0.00 0.00 2.96 -1.26 -0.33 118.68 122.33 2eef s LEU 38 Ca 0.04 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2eef s LEU 38 Cb -0.01 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2eef s LEU 38 CO -0.05 0.16 0.00 1.21 -1.32 0.00 0.00 176.35 176.35 2eef n GLU 39 N 3.06 0.00 -3.94 1.98 2.13 -0.24 -4.33 120.64 119.29 2eef n GLU 39 Ca -0.12 0.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.04 2eef n GLU 39 Cb 0.52 -0.94 -0.12 0.00 0.27 0.00 0.00 31.44 31.16 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 -2.94 0.16 -0.23 4.31 4.22 -1.24 -3.00 114.94 116.23 2eef s ASN 40 Ca 0.00 -0.28 -0.03 0.00 -2.14 0.00 0.00 52.86 50.41 2eef s ASN 40 Cb 0.00 0.05 0.07 0.00 1.28 0.00 0.00 41.25 42.66 2eef s ASN 40 CO 0.00 -0.17 0.07 0.00 -2.04 0.00 0.00 177.10 174.96 2eef s VAL 42 N 1.89 3.61 -0.00 0.00 -7.23 0.58 -4.96 120.40 114.28 2eef s VAL 42 Ca 0.03 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 2eef s VAL 42 Cb -0.17 -3.28 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 2eef s VAL 42 CO -0.16 -0.15 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.10 2eef s LEU 43 N -4.43 2.05 0.00 1.32 0.20 -1.26 -2.28 118.68 114.28 2eef s LEU 43 Ca 0.50 -0.32 0.03 0.00 0.69 0.00 0.00 54.13 55.03 2eef s LEU 43 Cb -0.10 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.82 2eef s LEU 43 CO 0.35 0.18 0.13 0.29 -0.29 0.00 0.00 176.35 177.01 2eef n LYS 44 N 2.55 0.57 -1.52 1.98 4.01 0.70 -4.98 118.16 121.47 2eef n LYS 44 Ca -0.15 -2.36 -0.44 0.00 -0.51 0.00 0.00 58.31 54.85 2eef n LYS 44 Cb 0.54 1.46 -0.06 0.00 -0.51 0.00 0.00 35.03 36.47 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2eef n ASP 45 N -1.80 2.34 -4.24 4.39 8.00 -1.26 -1.92 116.55 122.05 2eef n ASP 45 Ca -0.01 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 2eef n ASP 45 Cb 0.42 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2eef n LYS 46 N 8.60 -2.70 -3.61 -1.24 5.02 -1.26 -4.90 118.16 118.07 2eef n LYS 46 Ca 0.39 0.33 -0.09 0.00 -2.02 0.00 0.00 58.31 56.92 2eef n LYS 46 Cb 0.36 -4.89 -0.02 0.00 -0.02 0.00 0.00 35.03 30.46 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eef s ALA 47 N -3.43 -1.53 0.08 7.82 0.00 -0.81 -1.16 121.76 122.73 2eef s ALA 47 Ca 0.62 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 2eef s ALA 47 Cb -0.34 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 2eef s ALA 47 CO 0.94 -0.87 0.08 0.96 0.00 0.00 0.00 175.76 176.86 2eef s ILE 48 N -3.63 0.17 -0.24 0.00 -4.36 -0.51 -0.22 121.20 112.41 2eef s ILE 48 Ca 0.06 -1.57 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 2eef s ILE 48 Cb -0.03 -1.53 0.07 0.00 1.25 0.00 0.00 42.46 42.23 2eef s ILE 48 CO -0.04 -0.78 0.60 0.00 0.24 0.00 0.00 174.94 174.96 2eef s ALA 49 N -3.91 -1.60 0.05 2.27 0.00 -0.97 -2.66 121.76 114.94 2eef s ALA 49 Ca 0.09 2.08 -0.22 0.00 0.00 0.00 0.00 51.96 53.90 2eef s ALA 49 Cb 0.07 -1.23 0.05 0.00 0.00 0.00 0.00 23.12 22.01 2eef s ALA 49 CO -0.09 -0.34 0.52 0.20 0.00 0.00 0.00 175.76 176.06 2eef s GLY 50 N 1.35 -0.43 -0.17 0.00 0.00 -1.00 -0.31 107.32 106.77 2eef s GLY 50 Ca -0.08 0.57 -0.05 0.00 0.00 0.00 0.00 44.72 45.15 2eef s GLY 50 CO -0.15 0.27 0.01 -0.51 0.00 0.00 0.00 173.10 172.72 2eef s THR 51 N -2.55 4.25 0.04 0.90 -4.23 -0.69 -1.56 115.64 111.82 2eef s THR 51 Ca -0.05 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 2eef s THR 51 Cb -0.01 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 2eef s THR 51 CO -0.03 0.47 0.07 -0.69 -0.54 0.00 0.00 174.62 173.91 2eef s VAL 52 N 0.43 4.57 0.17 2.29 1.01 0.13 -1.08 120.40 127.92 2eef s VAL 52 Ca -0.01 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.44 2eef s VAL 52 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2eef s VAL 52 CO 0.02 0.23 -0.11 -0.75 0.00 0.00 0.00 175.10 174.48 2eef s LYS 53 N -2.08 1.99 0.24 2.72 2.47 0.55 -1.71 119.74 123.91 2eef s LYS 53 Ca 0.26 -1.28 -0.09 0.00 -1.56 0.00 0.00 55.97 53.30 2eef s LYS 53 Cb -0.12 -2.13 -0.01 0.00 -1.46 0.00 0.00 37.83 34.10 2eef s LYS 53 CO 0.18 0.44 0.38 0.14 0.16 0.00 0.00 175.35 176.65 2eef s VAL 54 N -1.64 0.00 0.10 4.02 -7.23 -1.26 -2.24 120.40 112.15 2eef s VAL 54 Ca 0.24 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2eef s VAL 54 Cb -0.09 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2eef s VAL 54 CO 0.14 0.00 0.25 -1.10 -0.31 0.00 0.00 175.10 174.08 2eef s GLN 55 N -4.05 3.43 -0.20 4.82 -0.21 -1.21 -4.68 119.66 117.57 2eef s GLN 55 Ca 0.27 -0.52 -0.04 0.00 0.02 0.00 0.00 55.36 55.09 2eef s GLN 55 Cb 0.01 -3.00 -0.06 0.00 1.00 0.00 0.00 33.01 30.96 2eef s GLN 55 CO 0.10 0.57 2.93 -1.71 -2.12 0.00 0.00 175.29 175.05 2eef n ASN 56 N -0.13 5.83 0.44 5.90 5.15 -1.26 -4.59 115.26 126.60 2eef n ASN 56 Ca -0.06 -2.79 -0.19 0.00 -0.60 0.00 0.00 54.58 50.93 2eef n ASN 56 Cb 0.52 -1.27 -0.09 0.00 -0.53 0.00 0.00 39.78 38.41 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2eef h LEU 57 N 4.06 -1.03-10.10 1.20 3.38 -1.97 -3.45 115.31 107.40 2eef h LEU 57 Ca 0.25 0.05 -0.61 0.00 0.09 0.00 0.00 57.88 57.65 2eef h LEU 57 Cb 1.10 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 42.05 2eef h LEU 57 CO 0.49 -0.69 -0.44 0.00 0.09 0.00 0.00 178.44 177.89 2eef s ALA 58 N -6.00 4.05 -0.00 1.53 0.00 -1.26 -5.02 121.76 115.05 2eef s ALA 58 Ca -0.19 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 2eef s ALA 58 Cb 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2eef s ALA 58 CO 0.61 -0.21 0.67 0.35 0.00 0.00 0.00 175.76 177.18 2eef h PHE 59 N 1.17 -0.23 -3.96 0.00 3.04 -1.98 -3.45 116.94 111.54 2eef h PHE 59 Ca -0.41 -0.01 -0.46 0.00 3.98 0.00 0.00 57.97 61.08 2eef h PHE 59 Cb 1.29 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 2eef h PHE 59 CO 1.06 -0.14 0.32 -1.21 -2.02 0.00 0.00 178.31 176.31 2eef s GLU 60 N -2.76 4.34 0.06 1.11 2.02 -1.26 -5.08 118.70 117.14 2eef s GLU 60 Ca -0.04 1.16 0.04 0.00 0.02 0.00 0.00 54.97 56.15 2eef s GLU 60 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2eef s GLU 60 CO 0.11 0.11 -0.12 0.15 0.02 0.00 0.00 175.26 175.53 2eef s LYS 61 N -2.72 0.73 -0.39 1.61 1.02 -1.26 -4.79 119.74 113.95 2eef s LYS 61 Ca 0.57 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.69 2eef s LYS 61 Cb -0.13 -0.67 0.13 0.00 -0.52 0.00 0.00 37.83 36.64 2eef s LYS 61 CO 0.17 0.15 0.21 0.99 -0.92 0.00 0.00 175.35 175.95 2eef s THR 62 N -1.27 0.88 -0.14 2.17 2.01 -1.07 -5.04 115.64 113.17 2eef s THR 62 Ca -0.04 -2.09 -0.11 0.00 0.31 0.00 0.00 61.69 59.76 2eef s THR 62 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2eef s THR 62 CO 0.02 -0.90 0.21 -0.69 -0.69 0.00 0.00 174.62 172.57 2eef s VAL 63 N 0.79 5.36 -0.20 3.82 1.01 -1.26 -1.70 120.40 128.23 2eef s VAL 63 Ca 0.17 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 2eef s VAL 63 Cb -0.23 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.69 2eef s VAL 63 CO -0.03 0.49 0.49 -0.54 0.00 0.00 0.00 175.10 175.51 2eef s LYS 64 N -0.17 0.50 0.11 2.72 1.02 -0.72 -3.40 119.74 119.80 2eef s LYS 64 Ca 0.14 0.87 -0.22 0.00 0.02 0.00 0.00 55.97 56.78 2eef s LYS 64 Cb -0.13 0.07 -0.07 0.00 -0.52 0.00 0.00 37.83 37.18 2eef s LYS 64 CO 0.03 -0.14 0.68 0.42 -0.92 0.00 0.00 175.35 175.42 2eef s ILE 65 N 1.24 4.57 -0.30 2.17 -1.09 -1.05 -1.45 121.20 125.29 2eef s ILE 65 Ca -0.08 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.84 2eef s ILE 65 Cb -0.07 -4.02 0.08 0.00 -1.58 0.00 0.00 42.46 36.87 2eef s ILE 65 CO -0.12 0.53 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.49 2eef s ARG 66 N -1.05 1.94 -0.00 2.79 3.52 -1.00 -2.66 118.95 122.49 2eef s ARG 66 Ca 0.33 -1.57 0.07 0.00 -0.13 0.00 0.00 55.73 54.42 2eef s ARG 66 Cb -0.21 -3.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 2eef s ARG 66 CO 0.23 -0.74 -0.21 1.41 -0.81 0.00 0.00 175.30 175.17 2eef s MET 67 N 1.03 1.63 0.25 5.12 1.75 -1.26 -0.20 119.30 127.63 2eef s MET 67 Ca 0.00 -0.78 0.09 0.00 -1.25 0.00 0.00 55.69 53.75 2eef s MET 67 Cb -0.20 -1.61 -0.05 0.00 2.84 0.00 0.00 34.83 35.81 2eef s MET 67 CO -0.06 0.44 -0.15 -0.08 -0.65 0.00 0.00 175.02 174.52 2eef s THR 68 N -0.54 2.01 0.00 10.11 -1.32 -0.50 -3.26 115.64 122.14 2eef s THR 68 Ca 0.08 -2.27 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 2eef s THR 68 Cb -0.08 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 2eef s THR 68 CO -0.00 -0.46 0.20 0.49 -2.21 0.00 0.00 174.62 172.64 2eef n PHE 69 N -0.52 0.00 -3.63 9.09 3.72 -1.26 -3.23 117.46 121.63 2eef n PHE 69 Ca -0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.06 2eef n PHE 69 Cb 0.61 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.04 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 -0.15 1.79 -3.81 4.37 9.92 -1.24 -4.49 116.55 122.93 2eef n ASP 70 Ca 0.00 -2.93 -0.24 0.00 -0.53 0.00 0.00 54.79 51.09 2eef n ASP 70 Cb 0.08 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.83 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2eef n THR 71 N 2.07 -0.88 -3.79 -3.53 -1.04 -1.18 0.21 114.28 106.14 2eef n THR 71 Ca 0.24 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.05 61.64 2eef n THR 71 Cb 0.41 -0.84 0.03 0.00 -1.82 0.00 0.00 70.33 68.12 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 -3.57 -2.13 -0.10 -1.42 7.02 -1.26 -4.92 117.44 111.07 2eef n TRP 72 Ca -0.21 0.88 -0.17 0.00 -1.02 0.00 0.00 57.50 56.98 2eef n TRP 72 Cb 0.47 -4.25 -0.08 0.00 -2.42 0.00 0.00 31.31 25.03 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 -4.49 0.53 -3.51 -0.99 4.76 0.58 -4.92 118.16 110.12 2eef n LYS 73 Ca -0.14 0.50 -0.21 0.00 -2.87 0.00 0.00 58.31 55.59 2eef n LYS 73 Cb 0.61 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 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 -6.54 1.96 0.34 4.39 0.15 -1.26 -5.07 113.70 107.67 2eef s SER 74 Ca -0.26 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 55.91 2eef s SER 74 Cb 0.06 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 2eef s SER 74 CO 0.46 -0.36 0.34 -0.72 1.20 0.00 0.00 173.24 174.15 2eef s TYR 75 N 2.26 2.92 -0.10 3.44 -0.85 -1.26 -4.49 117.35 119.26 2eef s TYR 75 Ca 0.07 -0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.34 2eef s TYR 75 Cb -0.16 -1.88 0.00 0.00 0.38 0.00 0.00 41.96 40.31 2eef s TYR 75 CO -0.19 0.11 -0.21 0.99 -1.52 0.00 0.00 175.55 174.73 2eef s THR 76 N -2.30 1.88 -0.60 -3.49 2.01 -1.20 -4.99 115.64 106.94 2eef s THR 76 Ca 0.43 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 2eef s THR 76 Cb -0.06 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2eef s THR 76 CO 0.28 0.52 1.18 1.51 -0.69 0.00 0.00 174.62 177.41 2eef s ASP 77 N 0.47 6.39 -0.17 3.53 -4.77 -1.26 -4.20 116.67 116.66 2eef s ASP 77 Ca -0.16 -0.02 -0.17 0.00 -3.30 0.00 0.00 52.55 48.89 2eef s ASP 77 Cb -0.17 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 2eef s ASP 77 CO 0.07 -1.51 0.45 -0.36 0.70 0.00 0.00 175.17 174.52 2eef s PHE 78 N 4.97 3.43 0.13 2.11 0.08 -1.09 -4.94 117.98 122.67 2eef s PHE 78 Ca 0.40 0.75 -0.31 0.00 0.12 0.00 0.00 56.93 57.90 2eef s PHE 78 Cb -0.08 -2.56 -0.08 0.00 -0.57 0.00 0.00 43.02 39.73 2eef s PHE 78 CO 0.23 0.05 1.35 -1.25 -0.10 0.00 0.00 175.22 175.50 2eef s PRO 79 N 1.10 4.35 0.27 0.24 0.04 -1.26 -2.54 135.00 137.19 2eef s PRO 79 Ca 0.23 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 2eef s PRO 79 Cb -0.15 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2eef s PRO 79 CO 0.09 -0.37 0.82 0.00 0.04 0.00 0.00 177.00 177.58 2eef n GLN 81 N 0.63 0.19 -5.05 0.00 6.02 0.13 -4.84 117.38 114.47 2eef n GLN 81 Ca -0.00 -2.48 -0.32 0.00 -0.01 0.00 0.00 57.00 54.19 2eef n GLN 81 Cb 0.51 -0.46 -0.15 0.00 1.02 0.00 0.00 30.24 31.15 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 -2.50 2.63 -0.54 1.08 6.14 -1.26 -0.69 117.35 122.21 2eef s TYR 82 Ca 0.56 -0.72 -0.17 0.00 0.64 0.00 0.00 57.07 57.38 2eef s TYR 82 Cb -0.04 -1.71 0.10 0.00 0.42 0.00 0.00 41.96 40.73 2eef s TYR 82 CO 0.37 -0.22 0.56 0.08 0.64 0.00 0.00 175.55 176.98 2eef s VAL 83 N 0.07 5.04 -0.22 3.14 1.01 -0.85 -4.87 120.40 123.72 2eef s VAL 83 Ca -0.08 -1.08 0.15 0.00 0.00 0.00 0.00 61.98 60.96 2eef s VAL 83 Cb -0.15 -4.33 0.63 0.00 0.00 0.00 0.00 36.38 32.53 2eef s VAL 83 CO 0.05 -0.88 1.56 2.29 0.00 0.00 0.00 175.10 178.13 2eef n LYS 84 N 5.73 3.47 -1.31 2.72 2.85 -1.26 -4.76 118.16 125.60 2eef n LYS 84 Ca -0.11 -2.99 -0.31 0.00 -1.05 0.00 0.00 58.31 53.85 2eef n LYS 84 Cb 0.42 -2.00 0.09 0.00 -0.65 0.00 0.00 35.03 32.89 2eef n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2eef s ASP 85 N -1.57 4.54 0.54 -5.58 1.11 -1.26 -4.90 116.67 109.54 2eef s ASP 85 Ca 0.47 1.86 0.25 0.00 0.18 0.00 0.00 52.55 55.31 2eef s ASP 85 Cb 0.38 -2.53 1.41 0.00 1.07 0.00 0.00 42.92 43.25 2eef s ASP 85 CO 0.11 -2.01 2.01 0.00 1.18 0.00 0.00 175.17 176.45 2eef h THR 86 N -1.00 0.72 -0.28 -1.27 1.03 -2.02 -1.36 112.91 108.74 2eef h THR 86 Ca -0.44 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.77 2eef h THR 86 Cb 1.23 0.75 -0.08 0.00 -1.07 0.00 0.00 68.15 68.98 2eef h THR 86 CO 0.51 0.00 0.24 0.00 -0.01 0.00 0.00 175.52 176.26 2eef n TYR 87 N -4.33 0.89 -3.90 0.00 9.36 -1.26 -4.82 117.16 113.10 2eef n TYR 87 Ca 0.09 -1.54 -0.11 0.00 3.32 0.00 0.00 57.90 59.65 2eef n TYR 87 Cb 0.57 -0.76 -0.11 0.00 -0.63 0.00 0.00 39.34 38.41 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 -1.05 -0.17 0.70 2.98 0.00 -0.52 -5.11 121.76 118.60 2eef s ALA 88 Ca 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 2eef s ALA 88 Cb 0.14 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.40 2eef s ALA 88 CO -0.00 -0.16 1.01 0.20 0.00 0.00 0.00 175.76 176.81 2eef s GLY 89 N -1.16 1.68 -0.26 0.00 0.00 -1.26 -4.92 107.32 101.40 2eef s GLY 89 Ca -0.13 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2eef s GLY 89 CO 0.00 -0.51 -0.29 1.44 0.00 0.00 0.00 173.10 173.75 2eef n SER 90 N -2.91 1.97 0.21 1.64 7.64 -1.26 -4.66 113.62 116.25 2eef n SER 90 Ca 0.08 0.09 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 2eef n SER 90 Cb 0.60 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 2eef n SER 90 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2eef h ASP 91 N -0.47 -0.79 -3.22 6.43 5.19 -2.05 -3.40 116.42 118.10 2eef h ASP 91 Ca -0.63 0.05 -0.56 0.00 -0.62 0.00 0.00 57.03 55.28 2eef h ASP 91 Cb 1.75 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 41.47 2eef h ASP 91 CO -0.25 -0.42 0.59 -0.13 -3.12 0.00 0.00 179.24 175.91 2eef s ARG 92 N -4.71 4.41 -0.50 3.56 1.81 -1.26 -4.99 118.95 117.27 2eef s ARG 92 Ca -0.11 1.45 -0.28 0.00 -1.72 0.00 0.00 55.73 55.07 2eef s ARG 92 Cb 0.02 -3.54 0.03 0.00 -0.45 0.00 0.00 34.95 31.01 2eef s ARG 92 CO 0.36 -0.34 1.11 -0.51 -0.68 0.00 0.00 175.30 175.23 2eef s ASP 93 N 1.17 6.55 -0.32 0.23 1.11 -1.26 -4.61 116.67 119.54 2eef s ASP 93 Ca 0.50 0.28 -0.14 0.00 0.18 0.00 0.00 52.55 53.37 2eef s ASP 93 Cb -0.20 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.24 2eef s ASP 93 CO 0.19 -1.28 0.30 -0.89 1.18 0.00 0.00 175.17 174.68 2eef s THR 94 N 4.44 5.22 0.21 -1.27 2.01 -1.26 -4.16 115.64 120.83 2eef s THR 94 Ca 0.44 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.58 2eef s THR 94 Cb -0.08 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2eef s THR 94 CO 0.29 0.03 0.25 -0.36 -0.69 0.00 0.00 174.62 174.14 2eef s PHE 95 N 1.91 3.30 0.43 4.92 0.40 -0.69 -2.01 117.98 126.23 2eef s PHE 95 Ca 0.10 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2eef s PHE 95 Cb -0.17 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2eef s PHE 95 CO 0.11 0.50 0.08 -1.54 0.70 0.00 0.00 175.22 175.06 2eef s SER 96 N -3.60 3.17 -0.27 1.36 1.04 0.13 0.20 113.70 115.73 2eef s SER 96 Ca 0.33 -1.61 -0.24 0.00 0.48 0.00 0.00 55.95 54.91 2eef s SER 96 Cb -0.09 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.48 2eef s SER 96 CO 0.27 -0.84 0.72 0.72 0.98 0.00 0.00 173.24 175.09 2eef s PHE 97 N -3.10 -0.81 -0.27 5.02 -0.12 -0.60 0.20 117.98 118.30 2eef s PHE 97 Ca 0.21 1.94 -0.02 0.00 -0.05 0.00 0.00 56.93 59.01 2eef s PHE 97 Cb 0.04 0.31 0.09 0.00 -0.63 0.00 0.00 43.02 42.82 2eef s PHE 97 CO 0.12 -0.39 0.08 0.16 -0.05 0.00 0.00 175.22 175.13 2eef s ASP 98 N 0.50 3.61 0.13 1.98 1.47 -1.26 -2.37 116.67 120.73 2eef s ASP 98 Ca -0.01 -1.33 0.04 0.00 1.18 0.00 0.00 52.55 52.43 2eef s ASP 98 Cb -0.05 -0.71 -0.04 0.00 -0.34 0.00 0.00 42.92 41.78 2eef s ASP 98 CO -0.01 -0.38 0.15 -0.63 0.68 0.00 0.00 175.17 174.98 2eef s ILE 99 N 1.76 4.71 -0.31 2.11 1.01 -1.09 -4.97 121.20 124.42 2eef s ILE 99 Ca 0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2eef s ILE 99 Cb -0.17 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2eef s ILE 99 CO -0.22 -0.03 0.13 -0.94 0.00 0.00 0.00 174.94 173.88 2eef s SER 100 N -2.92 5.39 0.74 3.58 1.04 -1.26 -1.43 113.70 118.85 2eef s SER 100 Ca 0.31 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.91 2eef s SER 100 Cb -0.11 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.07 2eef s SER 100 CO 0.24 -0.22 0.95 0.18 0.98 0.00 0.00 173.24 175.37 2eef n LEU 101 N 4.93 3.32 -4.77 2.42 4.77 -0.31 -4.92 117.00 122.44 2eef n LEU 101 Ca -0.14 0.64 -0.31 0.00 -0.03 0.00 0.00 56.01 56.17 2eef n LEU 101 Cb 0.48 -1.40 0.09 0.00 -2.33 0.00 0.00 43.42 40.26 2eef n LEU 101 CO 0.33 -2.12 0.70 -2.16 -1.33 0.00 0.00 177.39 172.81 2eef s PRO 102 N -3.40 2.30 0.15 3.23 0.04 -1.26 -4.81 135.00 131.25 2eef s PRO 102 Ca 0.72 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2eef s PRO 102 Cb -0.33 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.36 2eef s PRO 102 CO 0.51 -1.61 1.24 -0.85 0.04 0.00 0.00 177.00 176.32 2eef n GLU 103 N -3.42 -0.28 -3.92 4.56 0.28 -1.26 -4.75 120.64 111.86 2eef n GLU 103 Ca 0.09 1.22 -0.10 0.00 -0.16 0.00 0.00 57.16 58.21 2eef n GLU 103 Cb 0.53 -1.80 -0.01 0.00 1.43 0.00 0.00 31.44 31.59 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 -5.56 2.03 -0.21 3.44 1.02 -1.26 -5.08 119.74 114.12 2eef s LYS 104 Ca -0.10 -1.47 -0.05 0.00 0.02 0.00 0.00 55.97 54.37 2eef s LYS 104 Cb 0.12 0.55 0.10 0.00 -0.52 0.00 0.00 37.83 38.09 2eef s LYS 104 CO 0.53 -0.91 0.39 0.42 -0.92 0.00 0.00 175.35 174.86 2eef s ILE 105 N -2.87 -0.61 -0.50 2.17 1.01 -1.26 -5.03 121.20 114.12 2eef s ILE 105 Ca 0.20 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2eef s ILE 105 Cb -0.03 -0.70 0.50 0.00 0.01 0.00 0.00 42.46 42.24 2eef s ILE 105 CO 0.13 0.00 1.93 0.00 0.00 0.00 0.00 174.94 177.00 2eef n GLN 106 N 5.38 2.31 -4.16 2.79 6.02 -1.26 -4.89 117.38 123.57 2eef n GLN 106 Ca -0.06 -2.81 -0.32 0.00 -0.01 0.00 0.00 57.00 53.79 2eef n GLN 106 Cb 0.50 -2.10 -0.08 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.82 -0.13 -0.08 1.08 2.88 -1.26 -4.78 113.62 110.51 2eef n SER 107 Ca 0.55 -1.13 -0.07 0.00 -1.33 0.00 0.00 58.87 56.88 2eef n SER 107 Cb 1.11 -1.42 -0.13 0.00 -0.75 0.00 0.00 64.21 63.01 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 -3.99 0.00 -4.98 0.66 4.11 -1.26 -4.97 117.16 106.73 2eef n TYR 108 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.49 2eef n TYR 108 Cb 0.54 -0.82 -0.15 0.00 -0.00 0.00 0.00 39.34 38.91 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -2.45 1.68 0.47 -3.48 0.41 -1.26 -5.05 118.70 109.02 2eef s GLU 109 Ca -0.08 -0.81 -0.23 0.00 -0.41 0.00 0.00 54.97 53.43 2eef s GLU 109 Cb 0.05 -1.66 -0.08 0.00 -1.78 0.00 0.00 34.13 30.66 2eef s GLU 109 CO 0.70 0.45 1.21 -2.13 -0.49 0.00 0.00 175.26 174.99 2eef n ARG 110 N 2.40 1.65 -3.68 1.61 0.63 -1.26 -4.79 116.66 113.22 2eef n ARG 110 Ca -0.16 0.60 -0.21 0.00 -0.92 0.00 0.00 57.85 57.16 2eef n ARG 110 Cb 0.53 -2.34 -0.18 0.00 0.45 0.00 0.00 32.46 30.91 2eef n ARG 110 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 2eef s MET 111 N -2.40 -0.00 0.18 -0.14 -2.45 -1.26 -3.11 119.30 110.11 2eef s MET 111 Ca 0.66 0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 55.26 2eef s MET 111 Cb -0.48 -0.65 0.02 0.00 1.25 0.00 0.00 34.83 34.97 2eef s MET 111 CO 0.54 -0.35 0.47 -1.21 1.05 0.00 0.00 175.02 175.52 2eef s GLU 112 N 2.15 1.30 -0.02 4.11 2.02 -1.20 -3.27 118.70 123.79 2eef s GLU 112 Ca 0.05 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 2eef s GLU 112 Cb -0.12 0.49 0.01 0.00 0.10 0.00 0.00 34.13 34.60 2eef s GLU 112 CO -0.04 -0.54 0.07 -0.59 0.02 0.00 0.00 175.26 174.18 2eef s PHE 113 N -3.88 -0.07 -0.08 1.61 -0.12 -1.22 -1.41 117.98 112.82 2eef s PHE 113 Ca 0.10 0.17 0.01 0.00 -0.05 0.00 0.00 56.93 57.16 2eef s PHE 113 Cb 0.00 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.43 2eef s PHE 113 CO -0.03 -0.04 -0.09 0.00 -0.05 0.00 0.00 175.22 175.01 2eef s ALA 114 N 0.00 1.14 0.31 1.99 0.00 0.72 -3.78 121.76 122.14 2eef s ALA 114 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2eef s ALA 114 Cb -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 2eef s ALA 114 CO 0.00 -0.10 1.51 0.08 0.00 0.00 0.00 175.76 177.25 2eef s VAL 115 N 1.10 2.25 -0.35 0.00 1.01 -1.11 -2.39 120.40 120.91 2eef s VAL 115 Ca -0.07 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2eef s VAL 115 Cb -0.14 -3.14 0.11 0.00 0.00 0.00 0.00 36.38 33.20 2eef s VAL 115 CO -0.01 0.04 0.10 -0.47 0.00 0.00 0.00 175.10 174.76 2eef s TYR 116 N -0.38 2.99 -0.25 5.22 5.04 -0.53 -2.62 117.35 126.83 2eef s TYR 116 Ca 0.58 -2.61 -0.08 0.00 -2.44 0.00 0.00 57.07 52.53 2eef s TYR 116 Cb -0.45 -2.49 -0.03 0.00 0.35 0.00 0.00 41.96 39.33 2eef s TYR 116 CO 0.51 -0.90 0.08 -0.47 -1.34 0.00 0.00 175.55 173.43 2eef s TYR 117 N 0.96 3.11 -0.18 4.97 5.04 -0.77 -1.76 117.35 128.73 2eef s TYR 117 Ca 0.12 -0.33 -0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2eef s TYR 117 Cb -0.19 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 2eef s TYR 117 CO -0.12 -0.29 -0.01 -2.00 -1.34 0.00 0.00 175.55 171.79 2eef s GLU 118 N 1.51 3.70 -0.14 4.97 2.12 -0.69 -1.29 118.70 128.88 2eef s GLU 118 Ca 0.06 -0.49 -0.28 0.00 0.36 0.00 0.00 54.97 54.61 2eef s GLU 118 Cb -0.15 -3.03 0.07 0.00 0.26 0.00 0.00 34.13 31.28 2eef s GLU 118 CO 0.04 0.16 0.70 0.00 -0.54 0.00 0.00 175.26 175.62 2eef n ASN 120 N 1.66 -4.92 -3.62 0.00 3.02 -1.26 -1.20 115.26 108.94 2eef n ASN 120 Ca -0.17 -0.72 -0.25 0.00 -0.03 0.00 0.00 54.58 53.41 2eef n ASN 120 Cb 0.56 -3.93 0.07 0.00 -0.61 0.00 0.00 39.78 35.87 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 -1.67 -0.54 3.34 7.41 0.00 -1.26 -4.99 105.19 107.48 2eef n GLY 121 Ca 0.03 0.25 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.34 1.62 -0.06 1.61 -1.52 -0.34 -5.16 119.66 109.47 2eef s GLN 122 Ca 0.59 -1.93 -0.01 0.00 -1.95 0.00 0.00 55.36 52.06 2eef s GLN 122 Cb -0.27 -0.11 0.03 0.00 -0.22 0.00 0.00 33.01 32.44 2eef s GLN 122 CO 0.73 -0.46 0.01 0.99 -0.25 0.00 0.00 175.29 176.31 2eef s THR 123 N -3.57 0.28 -0.14 -0.19 2.01 -1.26 -2.88 115.64 109.88 2eef s THR 123 Ca 0.35 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.53 2eef s THR 123 Cb 0.05 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 2eef s THR 123 CO 0.18 0.24 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.91 2eef s TYR 124 N 1.97 2.81 -0.15 4.92 2.02 -0.41 -5.00 117.35 123.51 2eef s TYR 124 Ca 0.04 -0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 2eef s TYR 124 Cb -0.12 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 2eef s TYR 124 CO -0.05 -0.30 -0.13 -1.58 -1.57 0.00 0.00 175.55 171.93 2eef s TRP 125 N 0.54 2.82 -0.28 2.71 0.52 -1.26 -1.85 118.94 122.13 2eef s TRP 125 Ca -0.09 -0.79 0.02 0.00 0.02 0.00 0.00 56.10 55.26 2eef s TRP 125 Cb -0.16 -1.88 0.08 0.00 -1.15 0.00 0.00 33.47 30.36 2eef s TRP 125 CO 0.04 -0.33 -0.02 0.34 0.02 0.00 0.00 176.95 177.01 2eef s ASP 126 N 0.61 4.27 -0.33 2.95 2.15 -1.08 -4.98 116.67 120.27 2eef s ASP 126 Ca -0.07 -1.58 -0.01 0.00 0.43 0.00 0.00 52.55 51.32 2eef s ASP 126 Cb -0.16 -1.35 0.11 0.00 -0.30 0.00 0.00 42.92 41.22 2eef s ASP 126 CO 0.03 -0.29 0.13 -0.94 -0.17 0.00 0.00 175.17 173.93 2eef s SER 127 N 1.21 3.85 -0.23 -0.34 1.04 -1.26 -2.73 113.70 115.24 2eef s SER 127 Ca 0.00 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 54.65 2eef s SER 127 Cb -0.19 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2eef s SER 127 CO -0.09 -0.39 0.00 0.59 0.98 0.00 0.00 173.24 174.33 2eef n ASN 128 N 4.64 -1.46 -2.84 7.02 3.02 -1.26 -1.36 115.26 123.01 2eef n ASN 128 Ca 0.00 0.38 -0.17 0.00 -0.03 0.00 0.00 54.58 54.76 2eef n ASN 128 Cb 0.41 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.13 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2eef n ARG 129 N -2.34 -1.39 0.00 3.52 -4.01 -1.26 -4.29 116.66 106.89 2eef n ARG 129 Ca -0.03 0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 2eef n ARG 129 Cb 0.45 -3.03 0.00 0.00 -3.04 0.00 0.00 32.46 26.84 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 -0.66 -0.65 0.00 2.89 0.00 -0.46 -5.09 105.19 101.22 2eef n GLY 130 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.68 1.61 4.76 -1.26 -5.02 118.16 114.57 2eef n LYS 131 Ca 0.00 0.08 0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2eef n LYS 131 Cb 0.00 -0.41 -0.00 0.00 -1.84 0.00 0.00 35.03 32.78 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2eef s ASN 132 N -2.06 -0.04 -1.12 4.39 0.01 -1.26 -4.89 114.94 109.97 2eef s ASN 132 Ca 0.00 -0.15 -0.17 0.00 -0.71 0.00 0.00 52.86 51.83 2eef s ASN 132 Cb 0.00 0.16 0.13 0.00 0.41 0.00 0.00 41.25 41.95 2eef s ASN 132 CO 0.00 -0.30 1.40 -0.31 -1.51 0.00 0.00 177.10 176.38 2eef s TYR 133 N -2.34 3.17 0.20 2.20 2.02 -1.25 -4.66 117.35 116.69 2eef s TYR 133 Ca 0.17 -1.70 -0.30 0.00 -0.37 0.00 0.00 57.07 54.87 2eef s TYR 133 Cb 0.04 -4.42 -0.08 0.00 -0.40 0.00 0.00 41.96 37.10 2eef s TYR 133 CO -0.03 -1.55 1.22 -0.98 -1.57 0.00 0.00 175.55 172.64 2eef s ARG 134 N 2.70 4.47 -0.33 -0.62 1.70 -1.26 -3.37 118.95 122.25 2eef s ARG 134 Ca 0.42 1.92 -0.02 0.00 -0.47 0.00 0.00 55.73 57.59 2eef s ARG 134 Cb -0.02 -3.22 0.07 0.00 -0.57 0.00 0.00 34.95 31.21 2eef s ARG 134 CO -0.02 -0.11 0.05 0.42 -1.08 0.00 0.00 175.30 174.56 2eef s ILE 135 N -0.14 3.00 0.51 4.99 1.01 -1.20 -3.55 121.20 125.82 2eef s ILE 135 Ca 0.53 -1.60 0.08 0.00 0.00 0.00 0.00 60.65 59.66 2eef s ILE 135 Cb -0.34 -2.84 0.04 0.00 0.01 0.00 0.00 42.46 39.34 2eef s ILE 135 CO 0.38 -0.27 0.61 0.27 0.00 0.00 0.00 174.94 175.93 2eef s ILE 136 N 1.20 2.34 0.50 2.92 -4.36 -0.94 -4.91 121.20 117.95 2eef s ILE 136 Ca -0.01 -1.13 -0.01 0.00 -0.26 0.00 0.00 60.65 59.24 2eef s ILE 136 Cb -0.20 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.04 2eef s ILE 136 CO -0.02 0.00 0.74 -0.60 0.24 0.00 0.00 174.94 175.29 2eef s ARG 137 N -4.45 2.91 0.07 0.37 3.52 -1.26 -0.74 118.95 119.38 2eef s ARG 137 Ca 0.53 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.63 2eef s ARG 137 Cb -0.06 -2.49 -0.28 0.00 -1.56 0.00 0.00 34.95 30.57 2eef s ARG 137 CO 0.33 -0.46 1.13 0.00 -0.81 0.00 0.00 175.30 175.50 2eef h ALA 138 N 0.21 0.14 -0.11 6.12 0.00 -1.58 -2.96 119.26 121.09 2eef h ALA 138 Ca -0.45 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.45 2eef h ALA 138 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2eef h ALA 138 CO 0.57 1.02 -0.39 1.05 0.00 0.00 0.00 179.25 181.50 2eef h GLU 139 N 0.07 0.24 -0.06 0.00 4.11 -1.96 -3.14 114.58 113.84 2eef h GLU 139 Ca -0.13 -0.11 -0.13 0.00 0.07 0.00 0.00 59.36 59.06 2eef h GLU 139 Cb 1.95 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.21 2eef h GLU 139 CO 0.19 0.60 -0.47 -0.07 0.07 0.00 0.00 179.01 179.33 2eef h LEU 140 N 0.20 0.51 -7.76 3.06 3.38 -1.94 -3.38 115.31 109.39 2eef h LEU 140 Ca 0.02 -0.69 -0.75 0.00 0.09 0.00 0.00 57.88 56.56 2eef h LEU 140 Cb 0.78 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.17 2eef h LEU 140 CO 0.06 1.12 0.88 -0.75 0.09 0.00 0.00 178.44 179.84 2eef s LYS 141 N -3.49 3.95 0.51 1.13 2.36 -1.12 -5.02 119.74 118.06 2eef s LYS 141 Ca -0.13 -2.53 -0.04 0.00 -2.55 0.00 0.00 55.97 50.72 2eef s LYS 141 Cb 0.04 -4.84 -0.01 0.00 -1.05 0.00 0.00 37.83 31.97 2eef s LYS 141 CO 0.81 -1.59 0.80 0.45 1.55 0.00 0.00 175.35 177.36 2eef s SER 142 N 2.58 5.88 -0.02 1.43 0.15 -1.26 -4.83 113.70 117.63 2eef s SER 142 Ca 0.35 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.71 2eef s SER 142 Cb -0.06 -1.84 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 2eef s SER 142 CO -0.05 -0.80 -0.17 0.28 1.20 0.00 0.00 173.24 173.70 2eef s THR 143 N -2.78 1.37 0.03 6.45 -1.32 -1.26 -5.05 115.64 113.07 2eef s THR 143 Ca 0.50 -0.72 -0.25 0.00 -1.21 0.00 0.00 61.69 60.01 2eef s THR 143 Cb -0.10 -1.15 -0.17 0.00 -1.51 0.00 0.00 72.50 69.56 2eef s THR 143 CO 0.43 0.39 1.41 -0.61 -2.21 0.00 0.00 174.62 174.03 2eef h GLN 144 N 5.92 -0.23 0.00 7.08 4.15 -2.06 -3.49 115.11 126.48 2eef h GLN 144 Ca -0.35 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2eef h GLN 144 Cb 1.16 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2eef h GLN 144 CO 0.48 0.04 0.00 0.41 -1.93 0.00 0.00 178.83 177.83 2eef n GLY 145 N -0.49 1.14 3.47 2.39 0.00 -1.26 -5.16 105.19 105.28 2eef n GLY 145 Ca -0.09 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.01 1.02 0.00 1.61 0.00 -1.26 -5.01 119.30 114.65 2eef s MET 146 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 55.69 55.95 2eef s MET 146 Cb 0.00 0.48 0.69 0.00 0.00 0.00 0.00 34.83 35.99 2eef s MET 146 CO 0.00 -0.32 1.23 -2.37 0.00 0.00 0.00 175.02 173.56 2eef n THR 147 N 0.87 0.31 -3.10 10.11 5.66 -1.26 -4.85 114.28 122.03 2eef n THR 147 Ca -0.19 0.08 -0.13 0.00 -3.05 0.00 0.00 64.05 60.75 2eef n THR 147 Cb 0.57 -0.88 0.07 0.00 -1.55 0.00 0.00 70.33 68.54 2eef n THR 147 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2eef n LYS 148 N -1.13 -4.80 -2.05 1.09 5.02 -1.26 -4.89 118.16 110.15 2eef n LYS 148 Ca 0.08 0.67 -0.28 0.00 -2.02 0.00 0.00 58.31 56.76 2eef n LYS 148 Cb 0.07 -5.13 -0.05 0.00 -0.02 0.00 0.00 35.03 29.90 2eef n LYS 148 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2eef s PRO 149 N -4.95 2.56 0.13 1.97 0.04 -1.26 -4.90 135.00 128.58 2eef s PRO 149 Ca 0.04 -0.19 -0.08 0.00 0.04 0.00 0.00 61.00 60.81 2eef s PRO 149 Cb -0.01 -4.99 -0.01 0.00 0.04 0.00 0.00 34.50 29.54 2eef s PRO 149 CO 0.58 -3.31 0.23 -1.58 0.04 0.00 0.00 177.00 172.95 2eef s HIS 150 N 9.99 0.29 0.19 0.56 2.46 -1.26 -5.18 115.29 122.34 2eef s HIS 150 Ca 0.70 -0.69 -0.09 0.00 0.47 0.00 0.00 55.06 55.44 2eef s HIS 150 Cb -0.07 -0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.29 2eef s HIS 150 CO 0.02 -0.62 0.32 0.45 -2.47 0.00 0.00 174.74 172.43 2eef s SER 151 N -2.92 0.01 0.01 9.88 0.15 -1.26 -5.17 113.70 114.40 2eef s SER 151 Ca 0.11 -0.92 0.06 0.00 0.70 0.00 0.00 55.95 55.91 2eef s SER 151 Cb 0.04 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2eef s SER 151 CO -0.05 -0.95 -0.20 -0.83 1.20 0.00 0.00 173.24 172.41 2eef s GLY 152 N -2.99 1.00 0.51 9.45 0.00 -1.26 -5.13 107.32 108.90 2eef s GLY 152 Ca 0.20 -0.92 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 2eef s GLY 152 CO 0.03 -0.81 1.14 2.56 0.00 0.00 0.00 173.10 176.02 2eef s PRO 153 N -0.78 3.49 0.48 2.90 0.04 -1.26 -4.99 135.00 134.89 2eef s PRO 153 Ca 0.07 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 2eef s PRO 153 Cb -0.08 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2eef s PRO 153 CO 0.00 -0.75 1.31 0.34 0.04 0.00 0.00 177.00 177.94 2eef s ASP 154 N -1.63 5.80 0.61 6.66 2.15 -1.26 -5.01 116.67 124.00 2eef s ASP 154 Ca 0.70 2.65 -0.10 0.00 0.43 0.00 0.00 52.55 56.22 2eef s ASP 154 Cb -0.25 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.70 2eef s ASP 154 CO 0.29 -1.20 1.00 -1.48 -0.17 0.00 0.00 175.17 173.62 2eef s LEU 155 N -3.05 3.24 0.00 -1.34 -0.00 -1.26 -5.36 118.68 110.90 2eef s LEU 155 Ca 0.65 1.30 0.00 0.00 -0.00 0.00 0.00 54.13 56.08 2eef s LEU 155 Cb -0.37 -4.31 0.00 0.00 -0.00 0.00 0.00 46.19 41.51 2eef s LEU 155 CO 0.46 -0.89 0.35 0.61 -0.00 0.00 0.00 176.35 176.87